smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)N2CCCC2)CC1 ZINC000000742150 561675346 /nfs/dbraw/zinc/67/53/46/561675346.db2.gz CHEQNENRECSVPJ-UHFFFAOYSA-N 0 0 502.590 4.649 1 0 KJAFRN CC(=O)Nc1cccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000000930918 561675616 /nfs/dbraw/zinc/67/56/16/561675616.db2.gz UEWLETUDZMBQAP-WDYNHAJCSA-N 0 0 543.620 4.714 1 0 KJAFRN CC(=O)Nc1cccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000000930919 561675622 /nfs/dbraw/zinc/67/56/22/561675622.db2.gz UEWLETUDZMBQAP-FQLXRVMXSA-N 0 0 543.620 4.714 1 0 KJAFRN CC(=O)Nc1cccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000000930920 561675586 /nfs/dbraw/zinc/67/55/86/561675586.db2.gz UEWLETUDZMBQAP-VMPREFPWSA-N 0 0 543.620 4.714 1 0 KJAFRN CC(=O)Nc1cccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000000930921 561675596 /nfs/dbraw/zinc/67/55/96/561675596.db2.gz UEWLETUDZMBQAP-URLMMPGGSA-N 0 0 543.620 4.714 1 0 KJAFRN Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(OC(=O)N(C)C)c23)cc1F ZINC000001484853 561675854 /nfs/dbraw/zinc/67/58/54/561675854.db2.gz WUKANRUAGHCRID-UHFFFAOYSA-N 0 0 542.571 4.703 1 0 KJAFRN Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(OC(=O)N(C)C)c23)cc1 ZINC000001484854 561675841 /nfs/dbraw/zinc/67/58/41/561675841.db2.gz WGCISOKHJYGCNE-UHFFFAOYSA-N 0 0 524.581 4.564 1 0 KJAFRN COc1ccc(CCNc2nc3ccc(N(C)C)cc3c(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1OC ZINC000001485404 561675983 /nfs/dbraw/zinc/67/59/83/561675983.db2.gz SORIMYYQBCNPPI-UHFFFAOYSA-N 0 0 543.668 4.948 1 0 KJAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000001486295 561675987 /nfs/dbraw/zinc/67/59/87/561675987.db2.gz MOCUABRQFZUWQK-RUZDIDTESA-N 0 0 526.862 4.843 1 0 KJAFRN COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000001486361 561675964 /nfs/dbraw/zinc/67/59/64/561675964.db2.gz ALGYAXVEWGTXDA-UHFFFAOYSA-N 0 0 546.583 4.665 1 0 KJAFRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486492 561675929 /nfs/dbraw/zinc/67/59/29/561675929.db2.gz ZRBDIYJHNRINLC-QKFKETGDSA-N 0 0 537.514 4.713 1 0 KJAFRN Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486494 561676043 /nfs/dbraw/zinc/67/60/43/561676043.db2.gz RVVUZRCSHXLVNQ-QKFKETGDSA-N 0 0 553.513 4.593 1 0 KJAFRN Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486495 561676021 /nfs/dbraw/zinc/67/60/21/561676021.db2.gz APNXYRKAWZSOKE-OYLFLEFRSA-N 0 0 502.974 4.953 1 0 KJAFRN C[C@@H](n1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486501 561676002 /nfs/dbraw/zinc/67/60/02/561676002.db2.gz FSKFOGDDOUMDPE-JBEBIEQOSA-N 0 0 513.957 4.797 1 0 KJAFRN C[C@@H](n1cnc2cc(Oc3ccc(Cl)cc3)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486503 561676025 /nfs/dbraw/zinc/67/60/25/561676025.db2.gz DRUWFYYMGRFHGH-AKJBCIBTSA-N 0 0 523.927 4.861 1 0 KJAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000001487439 561676008 /nfs/dbraw/zinc/67/60/08/561676008.db2.gz QCDHQOJQZWJDKD-UHFFFAOYSA-N 0 0 524.846 4.897 1 0 KJAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1 ZINC000001487887 561676006 /nfs/dbraw/zinc/67/60/06/561676006.db2.gz XYELSQUYUBAEAV-UHFFFAOYSA-N 0 0 582.613 4.602 1 0 KJAFRN COc1cc2cc(CO)nc(-c3ccnc(-n4nc(-c5nccs5)c5ccccc5c4=O)c3)c2cc1OC ZINC000001487903 561676065 /nfs/dbraw/zinc/67/60/65/561676065.db2.gz FCAARBOTCCXTNL-UHFFFAOYSA-N 0 0 523.574 4.629 1 0 KJAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3OCc3cc(Br)cnc32)CC1 ZINC000001488332 561676163 /nfs/dbraw/zinc/67/61/63/561676163.db2.gz ZRMWHAYAESKTOA-UHFFFAOYSA-N 0 0 526.818 4.690 1 0 KJAFRN COc1cc(C)cc2c1[C@@H](C1CCN(C(=O)Cc3cc[n+]([O-])cc3)CC1)c1ncc(Br)cc1CC2 ZINC000001489789 561676188 /nfs/dbraw/zinc/67/61/88/561676188.db2.gz QWIZYRGWEQXHJG-HHHXNRCGSA-N 0 0 536.470 4.506 1 0 KJAFRN CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)N3Cc4c([nH]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000001491402 561676397 /nfs/dbraw/zinc/67/63/97/561676397.db2.gz PHHZIJWFNAUADE-MUUNZHRXSA-N 0 0 569.595 4.634 1 0 KJAFRN O=C(c1cccnc1Cl)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000001491464 561676399 /nfs/dbraw/zinc/67/63/99/561676399.db2.gz MXVHDHDDYDCBAX-UHFFFAOYSA-N 0 0 500.363 4.633 1 0 KJAFRN O=C(c1ccc(Cl)nc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000001491467 561676384 /nfs/dbraw/zinc/67/63/84/561676384.db2.gz WSPCAEVNAFDRDB-UHFFFAOYSA-N 0 0 500.363 4.633 1 0 KJAFRN CCN(Cc1ccncc1)C(=O)OC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001492027 561676415 /nfs/dbraw/zinc/67/64/15/561676415.db2.gz VRWJKFCKLCSQPY-JOCHJYFZSA-N 0 0 500.020 4.904 1 0 KJAFRN CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1 ZINC000001493797 561676390 /nfs/dbraw/zinc/67/63/90/561676390.db2.gz CFZKVSJVCMVNIK-UHFFFAOYSA-N 0 0 567.549 4.888 1 0 KJAFRN C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(C)(=O)=O)n21 ZINC000001493817 561676393 /nfs/dbraw/zinc/67/63/93/561676393.db2.gz UODMRUIEPLWYGA-FQEVSTJZSA-N 0 0 529.243 4.992 1 0 KJAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1 ZINC000001493942 561676502 /nfs/dbraw/zinc/67/65/02/561676502.db2.gz CEGMMABBTNUSIO-UHFFFAOYSA-N 0 0 551.422 4.663 1 0 KJAFRN CN1CC[C@H](Oc2ccc(CN3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000001494176 561676522 /nfs/dbraw/zinc/67/65/22/561676522.db2.gz XESAEBNNDALGPZ-MSOLQXFVSA-N 0 0 527.290 4.843 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000001494287 561676476 /nfs/dbraw/zinc/67/64/76/561676476.db2.gz SGHBDLOMRUXKQF-IZZNHLLZSA-N 0 0 516.638 4.667 1 0 KJAFRN COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)nc2)cc1OC ZINC000001494381 561676483 /nfs/dbraw/zinc/67/64/83/561676483.db2.gz UKTMVBPQNHUHGD-MUUNZHRXSA-N 0 0 520.545 4.841 1 0 KJAFRN COc1cc2c(cc1OC)CN(C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000001494384 561676555 /nfs/dbraw/zinc/67/65/55/561676555.db2.gz HDLDKTIFZITSKM-HSZRJFAPSA-N 0 0 513.421 4.937 1 0 KJAFRN C[NH+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[n-]5)c4)c3C2=O)cc1 ZINC000001494450 561676515 /nfs/dbraw/zinc/67/65/15/561676515.db2.gz XTWWNKNLOIVLSM-UHFFFAOYSA-N 0 0 573.579 4.901 1 0 KJAFRN CN(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001537623 561676934 /nfs/dbraw/zinc/67/69/34/561676934.db2.gz RLEVBHOVASXXPT-NRFANRHFSA-N 0 0 513.482 4.996 1 0 KJAFRN CCOC(=O)c1c(Cn2ccnc2CC)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000001539485 561677027 /nfs/dbraw/zinc/67/70/27/561677027.db2.gz KDWSMGQGSSAICO-UHFFFAOYSA-N 0 0 505.571 4.920 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000001543304 561677182 /nfs/dbraw/zinc/67/71/82/561677182.db2.gz DNJKQYXTRBILHI-JOCHJYFZSA-N 0 0 546.624 4.610 1 0 KJAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc43)c2)cc1 ZINC000001544467 561677149 /nfs/dbraw/zinc/67/71/49/561677149.db2.gz PJWHZRHPRCBCDY-MHWRWJLKSA-N 0 0 557.050 4.928 1 0 KJAFRN CCNC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000001544686 561677218 /nfs/dbraw/zinc/67/72/18/561677218.db2.gz ZJXYTTFIJKISPW-UHFFFAOYSA-N 0 0 543.249 4.573 1 0 KJAFRN CCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[n-]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000001547408 561677277 /nfs/dbraw/zinc/67/72/77/561677277.db2.gz AEOHTGCTFRVXSK-UHFFFAOYSA-N 0 0 531.421 4.854 1 0 KJAFRN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)N3CCCCc4cc(-c5ccccc5S(N)(=O)=O)ccc43)cc12 ZINC000001550178 561677409 /nfs/dbraw/zinc/67/74/09/561677409.db2.gz CADZMYPNJCAWKC-UHFFFAOYSA-N 0 0 596.591 4.912 1 0 KJAFRN CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(-c3nc(N)n[nH]3)c2)c(F)c1 ZINC000001551488 561677555 /nfs/dbraw/zinc/67/75/55/561677555.db2.gz LTKOHQXJXXVPDR-UHFFFAOYSA-N 0 0 585.543 4.720 1 0 KJAFRN O=C(CCc1nnc2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n12)Nc1ccc(Cl)c(Cl)c1 ZINC000001618373 561677852 /nfs/dbraw/zinc/67/78/52/561677852.db2.gz ANKSQCATFOIWHW-PXNMLYILSA-N 0 0 514.221 4.884 1 0 KJAFRN CCOC(=O)c1cc2c3c(c(O)c(OC)c2s1)N(C(=O)c1cc2c4c(c(O)c(OC)c2s1)N(C(C)=O)CC4)CC3 ZINC000001619624 561677782 /nfs/dbraw/zinc/67/77/82/561677782.db2.gz DBHKAVVBCKMIGD-UHFFFAOYSA-N 0 0 582.656 4.833 1 0 KJAFRN O=C1C2=C(C[C@H]3[C@@H](C2)C3(Br)Br)C(=O)C2=C1C[C@H]1[C@@H](C2)C1(Br)Br ZINC000001625451 561677838 /nfs/dbraw/zinc/67/78/38/561677838.db2.gz AQJMKFWRNPYQEH-IWDIQUIJSA-N 0 0 555.886 4.783 1 0 KJAFRN O=C(CCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21)C1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000001626623 561677770 /nfs/dbraw/zinc/67/77/70/561677770.db2.gz PLQHDBBLDKDDNY-UHFFFAOYSA-N 0 0 548.547 4.870 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)CC2 ZINC000001628477 561677926 /nfs/dbraw/zinc/67/79/26/561677926.db2.gz SGYHIXFRQZKXIO-QFIPXVFZSA-N 0 0 535.618 4.804 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc(OC)c1OC ZINC000001631513 561677925 /nfs/dbraw/zinc/67/79/25/561677925.db2.gz YLEQOBFRJJEUHL-FQEVSTJZSA-N 0 0 567.660 4.905 1 0 KJAFRN C[C@H]1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000001631814 561678038 /nfs/dbraw/zinc/67/80/38/561678038.db2.gz GVZLKVWZCOHZIN-CPJSRVTESA-N 0 0 542.700 4.808 1 0 KJAFRN C[C@@H]1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000001631815 561678036 /nfs/dbraw/zinc/67/80/36/561678036.db2.gz GVZLKVWZCOHZIN-NLFFAJNJSA-N 0 0 542.700 4.808 1 0 KJAFRN C[C@H]1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000001631816 561678005 /nfs/dbraw/zinc/67/80/05/561678005.db2.gz GVZLKVWZCOHZIN-NBGIEHNGSA-N 0 0 542.700 4.808 1 0 KJAFRN C[C@@H]1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000001631817 561677993 /nfs/dbraw/zinc/67/79/93/561677993.db2.gz GVZLKVWZCOHZIN-CJFMBICVSA-N 0 0 542.700 4.808 1 0 KJAFRN COc1ccc2cc(C(=O)NCCCNC(=O)c3ccc4c(ccc(OC)c4OC)c3)ccc2c1OC ZINC000001647690 561678387 /nfs/dbraw/zinc/67/83/87/561678387.db2.gz NACSYYRNSZHXNL-UHFFFAOYSA-N 0 0 502.567 4.577 1 0 KJAFRN COc1cc2ccc(C(=O)NCCCNC(=O)c3ccc4cc(OC)c(OC)cc4c3)cc2cc1OC ZINC000001647694 561678375 /nfs/dbraw/zinc/67/83/75/561678375.db2.gz NRGIHWUBMXHLNA-UHFFFAOYSA-N 0 0 502.567 4.577 1 0 KJAFRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(CCC[C@@H]2C)N=3)cc(OC)c1OC ZINC000001652441 561678664 /nfs/dbraw/zinc/67/86/64/561678664.db2.gz JZODYZUZBYELQH-PZLJAIGDSA-N 0 0 511.043 4.715 1 0 KJAFRN COC(=O)c1cc(C(=CCCO)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC ZINC000001653896 561678659 /nfs/dbraw/zinc/67/86/59/561678659.db2.gz BDUDYYBKUKBYFF-UHFFFAOYSA-N 0 0 558.219 4.616 1 0 KJAFRN C=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000001653898 561678637 /nfs/dbraw/zinc/67/86/37/561678637.db2.gz XONWPKUJNMMKBG-UHFFFAOYSA-N 0 0 514.166 4.864 1 0 KJAFRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(-n4sc5ccccc5c4=O)cc3)cc2)cc1 ZINC000001654001 561678725 /nfs/dbraw/zinc/67/87/25/561678725.db2.gz VCMJNPXGKDLIBW-UHFFFAOYSA-N 0 0 579.681 4.644 1 0 KJAFRN COC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000001654330 561678739 /nfs/dbraw/zinc/67/87/39/561678739.db2.gz KNGHEAYPVIKIIU-UHFFFAOYSA-N 0 0 544.192 4.838 1 0 KJAFRN COC(=O)c1sc(=O)sc1SCc1cccc(CSc2sc(=O)sc2C(=O)OC)c1 ZINC000001656565 561678869 /nfs/dbraw/zinc/67/88/69/561678869.db2.gz WYBJNLORMOIESK-UHFFFAOYSA-N 0 0 518.706 4.811 1 0 KJAFRN C[C@H]1SC2(CCCCC2)N(NC(=O)CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)C1=O ZINC000001658516 561678965 /nfs/dbraw/zinc/67/89/65/561678965.db2.gz DWQWHSNPQNPDIS-MRXNPFEDSA-N 0 0 529.087 4.787 1 0 KJAFRN Clc1ccc(OCc2nn3c(CCc4nnc5sc(COc6ccc(Cl)cc6)nn45)nnc3s2)cc1 ZINC000001658983 561678961 /nfs/dbraw/zinc/67/89/61/561678961.db2.gz KJEQPDXCVHAKAK-UHFFFAOYSA-N 0 0 559.464 4.935 1 0 KJAFRN COc1ccc(C(=O)N(Cc2cccnc2)C(=S)N(Cc2cccnc2)C(=O)c2ccc(OC)cc2)cc1 ZINC000001659469 561679115 /nfs/dbraw/zinc/67/91/15/561679115.db2.gz XRJSBMJMXOKISM-UHFFFAOYSA-N 0 0 526.618 4.764 1 0 KJAFRN O=C(CSc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1)Nc1ccccc1 ZINC000001660357 561679090 /nfs/dbraw/zinc/67/90/90/561679090.db2.gz MTDZODBUQZPTLJ-UHFFFAOYSA-N 0 0 527.387 4.780 1 0 KJAFRN Cc1ccccc1COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(O)c2)cc1 ZINC000001758620 561679509 /nfs/dbraw/zinc/67/95/09/561679509.db2.gz GKLPPVHSFIVRLC-IZLXSDGUSA-N 0 0 506.558 4.826 1 0 KJAFRN COC(=O)CCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000001859878 561679769 /nfs/dbraw/zinc/67/97/69/561679769.db2.gz WRZPNFYVQBGUPW-UHFFFAOYSA-N 0 0 511.354 4.969 1 0 KJAFRN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000001863776 561679928 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COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCCO4)nc2)cc1 ZINC000013491044 561716137 /nfs/dbraw/zinc/71/61/37/561716137.db2.gz BPQXSSSOWIGKCE-NDEPHWFRSA-N 0 0 504.546 4.875 1 0 KJAFRN COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCCO4)nc2)cc1 ZINC000013491045 561716132 /nfs/dbraw/zinc/71/61/32/561716132.db2.gz BPQXSSSOWIGKCE-MUUNZHRXSA-N 0 0 504.546 4.875 1 0 KJAFRN COc1cc2ncnc(N3CCN(C(=S)NCc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC ZINC000013491518 561716258 /nfs/dbraw/zinc/71/62/58/561716258.db2.gz OBPXMBZMOSKIDU-UHFFFAOYSA-N 0 0 515.639 4.636 1 0 KJAFRN CC(c1ccc(S(=O)(=O)C(C)C)cc1)=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1 ZINC000013492458 561716246 /nfs/dbraw/zinc/71/62/46/561716246.db2.gz NCPWGVWKXROIEG-UHFFFAOYSA-N 0 0 509.716 4.933 1 0 KJAFRN O=C(c1ccc(-c2cccc(CO)c2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000013493098 561716554 /nfs/dbraw/zinc/71/65/54/561716554.db2.gz OOQMMLPEBULJIP-NDEPHWFRSA-N 0 0 506.514 4.755 1 0 KJAFRN O=C(c1ccc(-c2cccc(CO)c2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000013493099 561716545 /nfs/dbraw/zinc/71/65/45/561716545.db2.gz OOQMMLPEBULJIP-MUUNZHRXSA-N 0 0 506.514 4.755 1 0 KJAFRN O=C(c1ccc(-c2ccc(CO)cc2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000013493100 561716550 /nfs/dbraw/zinc/71/65/50/561716550.db2.gz LXJUNQOQDJHUIO-NDEPHWFRSA-N 0 0 506.514 4.755 1 0 KJAFRN O=C(c1ccc(-c2ccc(CO)cc2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000013493101 561716530 /nfs/dbraw/zinc/71/65/30/561716530.db2.gz LXJUNQOQDJHUIO-MUUNZHRXSA-N 0 0 506.514 4.755 1 0 KJAFRN Cc1[nH]c(=O)c2c3c(ccc2c1CCC(=O)N1CCOCC1)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494043 561716787 /nfs/dbraw/zinc/71/67/87/561716787.db2.gz ISNFTACXVBSUFU-UHFFFAOYSA-N 0 0 514.413 4.565 1 0 KJAFRN Cc1[nH]c(=O)c2c3c(ccc2c1CC(=O)N1CCN(C)CC1)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494046 561716744 /nfs/dbraw/zinc/71/67/44/561716744.db2.gz SWMSQLFGVFMRIQ-UHFFFAOYSA-N 0 0 513.429 4.502 1 0 KJAFRN O=C(CN1CCC(Cc2ccccc2)CC1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000013518648 561716950 /nfs/dbraw/zinc/71/69/50/561716950.db2.gz WHXXGGSFZXTUQR-WJOKGBTCSA-N 0 0 522.693 4.509 1 0 KJAFRN CCOc1ccc(C2=NN(c3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCC ZINC000013519248 561716932 /nfs/dbraw/zinc/71/69/32/561716932.db2.gz WXBVDTBUOVXWKY-NMNUPHIUSA-N 0 0 500.599 4.677 1 0 KJAFRN COCCOc1cc2c(cc1OC)ncnc2N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000013528697 561717554 /nfs/dbraw/zinc/71/75/54/561717554.db2.gz MKMZNVRSGQUTJK-UHFFFAOYSA-N 0 0 529.597 4.810 1 0 KJAFRN COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OCC(C)=O ZINC000013528707 561717520 /nfs/dbraw/zinc/71/75/20/561717520.db2.gz PUHDDMQOUIPJPF-UHFFFAOYSA-N 0 0 527.581 4.753 1 0 KJAFRN COc1cc2c(ncnc2N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c(OC)c1OC ZINC000013528766 561717499 /nfs/dbraw/zinc/71/74/99/561717499.db2.gz MTLNPRKKDUJXSR-UHFFFAOYSA-N 0 0 515.570 4.802 1 0 KJAFRN COc1cc2cc(CO)nc(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000013535302 561717933 /nfs/dbraw/zinc/71/79/33/561717933.db2.gz PSONXFNMYSRABR-UHFFFAOYSA-N 0 0 517.545 4.567 1 0 KJAFRN COc1cc2c(cc1OC)C(=O)CS[C@@H](C(=O)Nc1ccc(CP3(=O)OCC(C)CO3)cc1)C2 ZINC000013556803 561718791 /nfs/dbraw/zinc/71/87/91/561718791.db2.gz GWOBUBOLAGVXTJ-UEECMBIOSA-N 0 0 505.529 4.559 1 0 KJAFRN COc1cc2c(cc1OC)C(=O)CS[C@@H](C(=O)Nc1ccc(CP3(=O)OCCCCO3)cc1)C2 ZINC000013556807 561718837 /nfs/dbraw/zinc/71/88/37/561718837.db2.gz HRUURRJQQXBSCV-HSZRJFAPSA-N 0 0 505.529 4.703 1 0 KJAFRN CC1COP(=O)(Cc2ccc(NC(=O)[C@H]3Cc4cc5c(cc4C(=O)[C@H](C)S3)OCO5)cc2)OC1 ZINC000013556828 561718788 /nfs/dbraw/zinc/71/87/88/561718788.db2.gz OMHFCQWMISQICA-PXDOUPOXSA-N 0 0 503.513 4.659 1 0 KJAFRN CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)CS2)OCCO4)cc1)OCC ZINC000013556834 561718838 /nfs/dbraw/zinc/71/88/38/561718838.db2.gz KZHSKYQZRWKACN-HSZRJFAPSA-N 0 0 505.529 4.703 1 0 KJAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C1(c2ccccc2)CCCCC1 ZINC000013583000 561720144 /nfs/dbraw/zinc/72/01/44/561720144.db2.gz FFZFIMJVNXMYMK-GMUJNDQRSA-N 0 0 513.723 4.521 1 0 KJAFRN CCCC[C@H](NC(=O)OCC1(CCSc2nccn2C)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013583851 561720326 /nfs/dbraw/zinc/72/03/26/561720326.db2.gz WDWQRVWWXNNMAD-IRLDBZIGSA-N 0 0 514.692 4.804 1 0 KJAFRN CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@@](C)=O)cc3)n2CCO)ccn1 ZINC000013586240 561720418 /nfs/dbraw/zinc/72/04/18/561720418.db2.gz DQOSJNXVPIGPDQ-BHVANESWSA-N 0 0 524.643 4.732 1 0 KJAFRN CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@](C)=O)cc3)n2CCO)ccn1 ZINC000013586241 561720365 /nfs/dbraw/zinc/72/03/65/561720365.db2.gz DQOSJNXVPIGPDQ-PSXMRANNSA-N 0 0 524.643 4.732 1 0 KJAFRN COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CCN(Cc2cncn2Cc2ccc(C)cc2)CC1 ZINC000013586736 561720541 /nfs/dbraw/zinc/72/05/41/561720541.db2.gz TZAQVDLADJZKRJ-NDEPHWFRSA-N 0 0 534.726 4.641 1 0 KJAFRN NC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000013586771 561720516 /nfs/dbraw/zinc/72/05/16/561720516.db2.gz CPGFTAIZLJWWKU-VWLOTQADSA-N 0 0 511.582 4.815 1 0 KJAFRN CN(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000013586776 561720533 /nfs/dbraw/zinc/72/05/33/561720533.db2.gz WYQXKZZMLHUUDJ-VWLOTQADSA-N 0 0 500.599 4.936 1 0 KJAFRN C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(c2)CCCC3=O)c2ccccc2N(C)C1=O ZINC000013587625 561720750 /nfs/dbraw/zinc/72/07/50/561720750.db2.gz KDLJOGLRFSSOAE-YMGMXPECSA-N 0 0 515.560 4.619 1 0 KJAFRN COc1cc2c(cc1OC)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000013588119 561720969 /nfs/dbraw/zinc/72/09/69/561720969.db2.gz HDLDKTIFZITSKM-QHCPKHFHSA-N 0 0 513.421 4.937 1 0 KJAFRN Cc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589728 561721374 /nfs/dbraw/zinc/72/13/74/561721374.db2.gz JTOAFEMFMSGNAF-UHFFFAOYSA-N 0 0 504.395 4.594 1 0 KJAFRN CCOC(=O)Cc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000013607049 561721740 /nfs/dbraw/zinc/72/17/40/561721740.db2.gz VBYGSSNTPQTJHH-UHFFFAOYSA-N 0 0 516.562 4.530 1 0 KJAFRN O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1[C@H]2O ZINC000013612809 561722005 /nfs/dbraw/zinc/72/20/05/561722005.db2.gz OFONSBISNQFKDJ-HHHXNRCGSA-N 0 0 503.986 4.962 1 0 KJAFRN O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1[C@@H]2O ZINC000013612812 561721954 /nfs/dbraw/zinc/72/19/54/561721954.db2.gz OFONSBISNQFKDJ-MHZLTWQESA-N 0 0 503.986 4.962 1 0 KJAFRN COc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643417 561722292 /nfs/dbraw/zinc/72/22/92/561722292.db2.gz SOJUZKVZNHWTCE-UHFFFAOYSA-N 0 0 500.426 4.977 1 0 KJAFRN COc1ccc(C(=O)NC[C@@H]2CC(c3ccncc3)=NO2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643425 561722285 /nfs/dbraw/zinc/72/22/85/561722285.db2.gz FWCAYHIZLIGARK-FQEVSTJZSA-N 0 0 500.382 4.942 1 0 KJAFRN COc1ccc(C(=O)NC[C@H]2CC(c3ccncc3)=NO2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643427 561722316 /nfs/dbraw/zinc/72/23/16/561722316.db2.gz FWCAYHIZLIGARK-HXUWFJFHSA-N 0 0 500.382 4.942 1 0 KJAFRN COc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643430 561722346 /nfs/dbraw/zinc/72/23/46/561722346.db2.gz AFNPURCEUOYCIM-UHFFFAOYSA-N 0 0 500.426 4.977 1 0 KJAFRN Cc1ccc(C(=O)N2CCN(Cc3cc[n+]([O-])cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643438 561722317 /nfs/dbraw/zinc/72/23/17/561722317.db2.gz LNTOCGWTOIGILZ-UHFFFAOYSA-N 0 0 500.426 4.515 1 0 KJAFRN COc1ccc(C(=O)NC2CCN(c3cc[n+]([O-])cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643444 561722455 /nfs/dbraw/zinc/72/24/55/561722455.db2.gz PLIBHWCMLUVSLE-UHFFFAOYSA-N 0 0 516.425 4.656 1 0 KJAFRN C[C@H](CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1 ZINC000013643809 561722393 /nfs/dbraw/zinc/72/23/93/561722393.db2.gz BQSSMLBFNCTWMP-HXUWFJFHSA-N 0 0 526.559 4.729 1 0 KJAFRN C[C@@H](CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1 ZINC000013643821 561722410 /nfs/dbraw/zinc/72/24/10/561722410.db2.gz BQSSMLBFNCTWMP-FQEVSTJZSA-N 0 0 526.559 4.729 1 0 KJAFRN CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCc4ccccc4)c(C(C)C)c23)c(F)cc1F ZINC000013645286 561722555 /nfs/dbraw/zinc/72/25/55/561722555.db2.gz PPVAFAVLEHZTSB-UHFFFAOYSA-N 0 0 510.501 4.914 1 0 KJAFRN COc1cc(OC)cc(-c2cc3cnc(N(CCCCCO)C(C)=O)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000013647871 561722661 /nfs/dbraw/zinc/72/26/61/561722661.db2.gz JMIZOQVJLJVTRM-UHFFFAOYSA-N 0 0 523.634 4.750 1 0 KJAFRN CCN(CC)C1=NS(=O)(=O)C([C@@H]2CC(c3c(Cl)cccc3Cl)=NO2)=C1c1ccc(OC)cc1 ZINC000013648854 561722819 /nfs/dbraw/zinc/72/28/19/561722819.db2.gz MEBBOLBNXHECDL-IBGZPJMESA-N 0 0 508.427 4.990 1 0 KJAFRN CCN(CC)C1=NS(=O)(=O)C([C@H]2CC(c3c(Cl)cccc3Cl)=NO2)=C1c1ccc(OC)cc1 ZINC000013648856 561722791 /nfs/dbraw/zinc/72/27/91/561722791.db2.gz MEBBOLBNXHECDL-LJQANCHMSA-N 0 0 508.427 4.990 1 0 KJAFRN CCO[C@H]1C(c2c(C)cc(C)cc2C)=NO[C@@H]1C1=C(c2ccc(OC)cc2)C(N(CC)CC)=NS1(=O)=O ZINC000013648877 561722814 /nfs/dbraw/zinc/72/28/14/561722814.db2.gz VQYLQDNOIHNHCJ-UIOOFZCWSA-N 0 0 525.671 4.623 1 0 KJAFRN CCO[C@@H]1C(c2c(C)cc(C)cc2C)=NO[C@@H]1C1=C(c2ccc(OC)cc2)C(N(CC)CC)=NS1(=O)=O ZINC000013648878 561722794 /nfs/dbraw/zinc/72/27/94/561722794.db2.gz VQYLQDNOIHNHCJ-FTJBHMTQSA-N 0 0 525.671 4.623 1 0 KJAFRN CCO[C@H]1C(c2c(C)cc(C)cc2C)=NO[C@H]1C1=C(c2ccc(OC)cc2)C(N(CC)CC)=NS1(=O)=O ZINC000013648880 561722800 /nfs/dbraw/zinc/72/28/00/561722800.db2.gz VQYLQDNOIHNHCJ-IZZNHLLZSA-N 0 0 525.671 4.623 1 0 KJAFRN CCO[C@@H]1C(c2c(C)cc(C)cc2C)=NO[C@H]1C1=C(c2ccc(OC)cc2)C(N(CC)CC)=NS1(=O)=O ZINC000013648882 561722792 /nfs/dbraw/zinc/72/27/92/561722792.db2.gz VQYLQDNOIHNHCJ-CLJLJLNGSA-N 0 0 525.671 4.623 1 0 KJAFRN Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 ZINC000013671919 561723819 /nfs/dbraw/zinc/72/38/19/561723819.db2.gz JNOWCGPVKUJQBG-UHFFFAOYSA-N 0 0 523.424 4.984 1 0 KJAFRN CCc1cc(Nc2cc(=O)n(CCCCCN3CCc4c5cc(OC)ccc5[nH]c4C3)c(=O)[nH]2)ccc1C ZINC000013674986 561724062 /nfs/dbraw/zinc/72/40/62/561724062.db2.gz GCDXLKPFAHFJDE-UHFFFAOYSA-N 0 0 515.658 4.870 1 0 KJAFRN CCCn1c2cc(-c3ccc(O[C@@H](CC)C(=O)Nc4ccc(F)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678697 561724417 /nfs/dbraw/zinc/72/44/17/561724417.db2.gz MLOKMUUSEUIIGH-DEOSSOPVSA-N 0 0 506.578 4.914 1 0 KJAFRN CCCn1c2cc(-c3ccc(O[C@H](CC)C(=O)Nc4ccc(F)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678699 561724400 /nfs/dbraw/zinc/72/44/00/561724400.db2.gz MLOKMUUSEUIIGH-XMMPIXPASA-N 0 0 506.578 4.914 1 0 KJAFRN CCCn1c2cc(-c3ccc(OC(C)(C)C(=O)Nc4ccc(F)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678714 561724390 /nfs/dbraw/zinc/72/43/90/561724390.db2.gz HUSMKCOFKJZSFR-UHFFFAOYSA-N 0 0 506.578 4.914 1 0 KJAFRN CCCn1c2c(Cl)c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678730 561724415 /nfs/dbraw/zinc/72/44/15/561724415.db2.gz HFUXLUMUEISPCY-UHFFFAOYSA-N 0 0 509.006 4.958 1 0 KJAFRN CCCn1c2c(Cl)c(-c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678738 561724379 /nfs/dbraw/zinc/72/43/79/561724379.db2.gz JTHKBXNYHRMGKJ-UHFFFAOYSA-N 0 0 525.005 4.658 1 0 KJAFRN CCCn1c2c(Cl)c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678742 561724381 /nfs/dbraw/zinc/72/43/81/561724381.db2.gz CEBZSDJFTQSKNB-UHFFFAOYSA-N 0 0 512.969 4.788 1 0 KJAFRN CCCn1c2c(Cl)c(-c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678752 561724424 /nfs/dbraw/zinc/72/44/24/561724424.db2.gz UJRZLBZSMLTOBF-UHFFFAOYSA-N 0 0 512.969 4.788 1 0 KJAFRN CCCn1c2c(Cl)c(-c3ccc(OCC(=O)Nc4ccccc4F)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678758 561724368 /nfs/dbraw/zinc/72/43/68/561724368.db2.gz YQXDRLYPDKTPAP-UHFFFAOYSA-N 0 0 512.969 4.788 1 0 KJAFRN CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O ZINC000013678816 561724410 /nfs/dbraw/zinc/72/44/10/561724410.db2.gz FTVRDQDWDBZPQP-UHFFFAOYSA-N 0 0 508.578 4.790 1 0 KJAFRN CCCn1c2cc(-c3ccc(O[C@@H](C)C(=O)NCc4ccc(Cl)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678855 561724530 /nfs/dbraw/zinc/72/45/30/561724530.db2.gz JWIJBCSHXRVNLA-SFHVURJKSA-N 0 0 523.033 4.715 1 0 KJAFRN CCCn1c2cc(-c3ccc(O[C@H](C)C(=O)NCc4ccc(Cl)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678857 561724546 /nfs/dbraw/zinc/72/45/46/561724546.db2.gz JWIJBCSHXRVNLA-GOSISDBHSA-N 0 0 523.033 4.715 1 0 KJAFRN Cc1cc(Cl)cc(C(=O)c2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c1 ZINC000013679768 561724544 /nfs/dbraw/zinc/72/45/44/561724544.db2.gz BMOJLYKWVNBRLY-UHFFFAOYSA-N 0 0 507.395 4.506 1 0 KJAFRN CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(CO)c2)C1=O ZINC000013685086 561724749 /nfs/dbraw/zinc/72/47/49/561724749.db2.gz PDRVOVGGVWYEHZ-UHFFFAOYSA-N 0 0 504.631 4.959 1 0 KJAFRN CCOC(=O)CCN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000013732602 561725304 /nfs/dbraw/zinc/72/53/04/561725304.db2.gz RPKQBKQWBFVFJM-RUZDIDTESA-N 0 0 504.974 4.625 1 0 KJAFRN CCOC(=O)CCN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000013732604 561725258 /nfs/dbraw/zinc/72/52/58/561725258.db2.gz RPKQBKQWBFVFJM-VWLOTQADSA-N 0 0 504.974 4.625 1 0 KJAFRN CCN(CC)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000013732646 561725312 /nfs/dbraw/zinc/72/53/12/561725312.db2.gz FYVXPNOIPIRXEH-AREMUKBSSA-N 0 0 518.017 4.540 1 0 KJAFRN CCN(CC)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000013732649 561725262 /nfs/dbraw/zinc/72/52/62/561725262.db2.gz FYVXPNOIPIRXEH-SANMLTNESA-N 0 0 518.017 4.540 1 0 KJAFRN CCN(CC)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccccc2Cl)C1=O ZINC000013732652 561725290 /nfs/dbraw/zinc/72/52/90/561725290.db2.gz QEBHWAQMBBGXPY-AREMUKBSSA-N 0 0 518.017 4.540 1 0 KJAFRN CCN(CC)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccccc2Cl)C1=O ZINC000013732655 561725423 /nfs/dbraw/zinc/72/54/23/561725423.db2.gz QEBHWAQMBBGXPY-SANMLTNESA-N 0 0 518.017 4.540 1 0 KJAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC000013732930 561725387 /nfs/dbraw/zinc/72/53/87/561725387.db2.gz ZMXCNSFRIWUHKR-VWLOTQADSA-N 0 0 513.598 4.673 1 0 KJAFRN CN(C)C(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000013733261 561725425 /nfs/dbraw/zinc/72/54/25/561725425.db2.gz CHFCDPZHINDKME-IOXBOXJCSA-N 0 0 512.075 4.946 1 0 KJAFRN CN(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccc(OCc3ccc(F)cc3)cc21 ZINC000013737522 561725659 /nfs/dbraw/zinc/72/56/59/561725659.db2.gz JJYJIAAMRPWUNA-OZXSUGGESA-N 0 0 504.587 4.871 1 0 KJAFRN CN(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccc(OCc3ccc(F)cc3)cc21 ZINC000013737523 561725706 /nfs/dbraw/zinc/72/57/06/561725706.db2.gz JJYJIAAMRPWUNA-JYFHCDHNSA-N 0 0 504.587 4.871 1 0 KJAFRN COc1ccc(C(OCC[N@@H+]2CCC=C(C(=O)[O-])C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000013737921 561725667 /nfs/dbraw/zinc/72/56/67/561725667.db2.gz YTEOXXBKHDDXII-UHFFFAOYSA-N 0 0 503.595 4.738 1 0 KJAFRN COc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1 ZINC000013739677 561725836 /nfs/dbraw/zinc/72/58/36/561725836.db2.gz XNUGDRMOEPOBFR-JWQCQUIFSA-N 0 0 514.626 4.669 1 0 KJAFRN CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013740377 561725957 /nfs/dbraw/zinc/72/59/57/561725957.db2.gz WIDCNHYWIDRDSO-WUFINQPMSA-N 0 0 524.683 4.622 1 0 KJAFRN CC(C)CCN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013740378 561725928 /nfs/dbraw/zinc/72/59/28/561725928.db2.gz WIDCNHYWIDRDSO-NSOVKSMOSA-N 0 0 524.683 4.622 1 0 KJAFRN CNC(=O)N1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@H]1Cc1c[nH]c2ccccc12 ZINC000013740642 561726080 /nfs/dbraw/zinc/72/60/80/561726080.db2.gz SOVVORMDBAETNG-SFHVURJKSA-N 0 0 512.410 4.920 1 0 KJAFRN CNC(=O)N1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@H]1Cc1c[nH]c2ccccc12 ZINC000013740643 561726024 /nfs/dbraw/zinc/72/60/24/561726024.db2.gz SOVVORMDBAETNG-GOSISDBHSA-N 0 0 512.410 4.920 1 0 KJAFRN O=C([O-])c1cc(=O)c2ccc(OCCC[NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc2o1 ZINC000013741949 561726249 /nfs/dbraw/zinc/72/62/49/561726249.db2.gz QBCZMKJBVLPNFM-UHFFFAOYSA-N 0 0 513.590 4.908 1 0 KJAFRN O=C([O-])c1cc(=O)c2cc(OCCC[NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)ccc2o1 ZINC000013741950 561726245 /nfs/dbraw/zinc/72/62/45/561726245.db2.gz CEJXOSQEXRQYNZ-UHFFFAOYSA-N 0 0 513.590 4.908 1 0 KJAFRN CCCCc1nc(-c2cnc(C(=O)OC)nc2C)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013742390 561726295 /nfs/dbraw/zinc/72/62/95/561726295.db2.gz SSULWWUNXGVEMZ-UHFFFAOYSA-N 0 0 508.586 4.673 1 0 KJAFRN CCCCc1nc(-c2c(C(=O)OC)ccc(C)[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013742413 561726316 /nfs/dbraw/zinc/72/63/16/561726316.db2.gz FXPJSQHLVKGOOI-UHFFFAOYSA-N 0 0 523.597 4.517 1 0 KJAFRN CCCCc1nc(-c2cc(C(=O)OC)cc(C)[n+]2[O-])cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013742415 561726303 /nfs/dbraw/zinc/72/63/03/561726303.db2.gz ZWKPCVXCJFSRIA-UHFFFAOYSA-N 0 0 523.597 4.517 1 0 KJAFRN CCCCc1ncc(C=C2C(=O)N(CCCC)C(=O)N2Cc2c[nH]c(C)n2)n1Cc1ccc(C(=O)OC)cc1 ZINC000013743393 561726469 /nfs/dbraw/zinc/72/64/69/561726469.db2.gz CJGYJSWDKGWHBU-MYYYXRDXSA-N 0 0 532.645 4.698 1 0 KJAFRN CC(=O)N1CCCC[C@@H]1CCOc1ccc(C(=O)N2CCC(N3c4ccccc4COC3=O)CC2)cc1 ZINC000013744297 561726652 /nfs/dbraw/zinc/72/66/52/561726652.db2.gz IEEUPKSLKYFCDK-XMMPIXPASA-N 0 0 505.615 4.618 1 0 KJAFRN CC(=O)N1CCCC[C@H]1CCOc1ccc(C(=O)N2CCC(N3c4ccccc4COC3=O)CC2)cc1 ZINC000013744299 561726605 /nfs/dbraw/zinc/72/66/05/561726605.db2.gz IEEUPKSLKYFCDK-DEOSSOPVSA-N 0 0 505.615 4.618 1 0 KJAFRN CCCC[NH+](CCCC)CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000013746871 561726872 /nfs/dbraw/zinc/72/68/72/561726872.db2.gz JUONOKQDVODJLD-MXSCXNJPSA-N 0 0 510.631 4.694 1 0 KJAFRN CCc1cc(Cl)c([O-])c(C(=O)NCCCC[NH+]2CCN(c3nsc4ccccc43)CC2)c1OC ZINC000013747199 561727043 /nfs/dbraw/zinc/72/70/43/561727043.db2.gz VYPOWWQQBJXOGV-UHFFFAOYSA-N 0 0 503.068 4.559 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000013755604 561727114 /nfs/dbraw/zinc/72/71/14/561727114.db2.gz NDOUWULFFLHTHO-HVNZXBJASA-N 0 0 515.654 4.556 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000013755605 561727146 /nfs/dbraw/zinc/72/71/46/561727146.db2.gz NDOUWULFFLHTHO-SUYBVONHSA-N 0 0 515.654 4.556 1 0 KJAFRN CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 ZINC000013755613 561727112 /nfs/dbraw/zinc/72/71/12/561727112.db2.gz ULAOEVZLPBIGAQ-ABYGYWHVSA-N 0 0 510.679 4.846 1 0 KJAFRN CCCN(c1ncccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758767 561727394 /nfs/dbraw/zinc/72/73/94/561727394.db2.gz INKGYVWYKROPLW-UHFFFAOYSA-N 0 0 526.707 4.666 1 0 KJAFRN CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 ZINC000013760938 561727777 /nfs/dbraw/zinc/72/77/77/561727777.db2.gz FSFFUAFLXQLAQX-MHZLTWQESA-N 0 0 511.626 4.700 1 0 KJAFRN CCOc1c(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc(Br)c2ccccc21 ZINC000013761262 561727778 /nfs/dbraw/zinc/72/77/78/561727778.db2.gz CPQUBMVKDMAUMG-UHFFFAOYSA-N 0 0 512.448 4.562 1 0 KJAFRN COc1c(C(=O)NCCN2CCN(c3ccc4ccccc4n3)CC2)cc(Br)c2ccccc21 ZINC000013761270 561727817 /nfs/dbraw/zinc/72/78/17/561727817.db2.gz ROTMIOWLSWXTDQ-UHFFFAOYSA-N 0 0 519.443 4.711 1 0 KJAFRN COc1ccc([C@@]2(OC)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013761557 561727776 /nfs/dbraw/zinc/72/77/76/561727776.db2.gz KKXDITRWMCWOGM-GDLZYMKVSA-N 0 0 520.534 4.502 1 0 KJAFRN COc1ccc([C@]2(OC)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013761558 561727814 /nfs/dbraw/zinc/72/78/14/561727814.db2.gz KKXDITRWMCWOGM-LJAQVGFWSA-N 0 0 520.534 4.502 1 0 KJAFRN CCCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)C(=O)CCC ZINC000013765580 561728378 /nfs/dbraw/zinc/72/83/78/561728378.db2.gz GZQLLPOYDZGARN-QPVYNBJUSA-N 0 0 510.631 4.694 1 0 KJAFRN CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)/C(=C/c3ccccn3)[C@H]2SC1 ZINC000013765877 561728397 /nfs/dbraw/zinc/72/83/97/561728397.db2.gz QCABOKCLGINDLK-FQCPBGGASA-N 0 0 512.587 4.530 1 0 KJAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000013776485 561728510 /nfs/dbraw/zinc/72/85/10/561728510.db2.gz KBKMKYDYLPDZRC-VSSRGUQCSA-N 0 0 529.681 4.740 1 0 KJAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCCC1 ZINC000013776517 561728567 /nfs/dbraw/zinc/72/85/67/561728567.db2.gz ROPMBNKPMSFMNA-NQDKFOQASA-N 0 0 507.675 4.831 1 0 KJAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCCC[C@@H]1O ZINC000013776547 561728526 /nfs/dbraw/zinc/72/85/26/561728526.db2.gz KIXBAMWWWCWCCH-GOXHQBBPSA-N 0 0 507.675 4.830 1 0 KJAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000013776549 561728529 /nfs/dbraw/zinc/72/85/29/561728529.db2.gz KIXBAMWWWCWCCH-JASZKICVSA-N 0 0 507.675 4.830 1 0 KJAFRN CCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C ZINC000013776622 561728635 /nfs/dbraw/zinc/72/86/35/561728635.db2.gz ZXXIWSPLQVBYMS-UHFFFAOYSA-N 0 0 509.566 4.680 1 0 KJAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N1CCCC1 ZINC000013776649 561728658 /nfs/dbraw/zinc/72/86/58/561728658.db2.gz KFZIJZITIGNILT-UHFFFAOYSA-N 0 0 521.577 4.824 1 0 KJAFRN COC(=O)c1cccc2c1c(C(=O)C1CCC(Cn3c(C)nc4cnccc43)CC1)cn2C(=O)N(C)C ZINC000013776675 561728629 /nfs/dbraw/zinc/72/86/29/561728629.db2.gz LOEMFFZGBXYWPG-UHFFFAOYSA-N 0 0 501.587 4.700 1 0 KJAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c3cc(C)nc4C)cc1)cn2C(=O)N(C)C ZINC000013776690 561728665 /nfs/dbraw/zinc/72/86/65/561728665.db2.gz FDUNDGKXMVEOSP-UHFFFAOYSA-N 0 0 523.593 4.907 1 0 KJAFRN CC(=O)OCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778285 561728788 /nfs/dbraw/zinc/72/87/88/561728788.db2.gz HQGKWHKCTUTKFQ-UHFFFAOYSA-N 0 0 515.191 4.817 1 0 KJAFRN O=C(Nc1cccnc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000013779004 561728784 /nfs/dbraw/zinc/72/87/84/561728784.db2.gz LAMMGSMTEGESJZ-HSZRJFAPSA-N 0 0 512.839 4.930 1 0 KJAFRN O=C(Nc1cccnc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000013779005 561728814 /nfs/dbraw/zinc/72/88/14/561728814.db2.gz LAMMGSMTEGESJZ-QHCPKHFHSA-N 0 0 512.839 4.930 1 0 KJAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1SCCS1 ZINC000013780900 561729271 /nfs/dbraw/zinc/72/92/71/561729271.db2.gz CJBDUYWFKOIDFK-YZIHRLCOSA-N 0 0 536.760 4.899 1 0 KJAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@@H]1CCCCO1 ZINC000013780901 561729311 /nfs/dbraw/zinc/72/93/11/561729311.db2.gz GNMAMXURTVIVSJ-NLJXWPIHSA-N 0 0 516.679 4.662 1 0 KJAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@H]1CCCCO1 ZINC000013780902 561729328 /nfs/dbraw/zinc/72/93/28/561729328.db2.gz GNMAMXURTVIVSJ-QUIZSENMSA-N 0 0 516.679 4.662 1 0 KJAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1CCOCC1 ZINC000013780903 561729263 /nfs/dbraw/zinc/72/92/63/561729263.db2.gz AOYNZEMYNLSHBX-FMGHJNRGSA-N 0 0 516.679 4.520 1 0 KJAFRN O=c1[n-]c(C[NH+]2CCC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)n[nH]1 ZINC000013781992 561729627 /nfs/dbraw/zinc/72/96/27/561729627.db2.gz ORGFGKWLZWRNKO-UHFFFAOYSA-N 0 0 514.470 4.886 1 0 KJAFRN S=C(NCCCNc1ccccn1)NCCCN(Cc1ccc(Br)cc1)c1ccccn1 ZINC000013782012 561729612 /nfs/dbraw/zinc/72/96/12/561729612.db2.gz LPFGEJGDBQHPNH-UHFFFAOYSA-N 0 0 513.509 4.602 1 0 KJAFRN COc1ccccc1N1CCN(C/C=C\CN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000013782639 561729896 /nfs/dbraw/zinc/72/98/96/561729896.db2.gz UTKABUUGVVEZMS-KHPPLWFESA-N 0 0 507.634 4.634 1 0 KJAFRN COc1ccccc1N1CCN(C/C=C/CN2C(=O)CC(=C(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000013782640 561729851 /nfs/dbraw/zinc/72/98/51/561729851.db2.gz UTKABUUGVVEZMS-ZHACJKMWSA-N 0 0 507.634 4.634 1 0 KJAFRN CC(=O)Nc1ccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@H](CC[C@@H](C)[C@H]4c4ccc(NC(C)=O)cc4)C(=O)N23)cc1 ZINC000013782983 561729932 /nfs/dbraw/zinc/72/99/32/561729932.db2.gz DSQXTVAJRHMQRP-XGFFMVSESA-N 0 0 516.642 4.654 1 0 KJAFRN C[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(Cl)cc32)C[C@H](C)N1CC(F)(F)F ZINC000013796139 561729930 /nfs/dbraw/zinc/72/99/30/561729930.db2.gz MGNKGAZEKVEYAI-GASCZTMLSA-N 0 0 527.975 4.878 1 0 KJAFRN COC(=O)c1c(C(=O)N2CCCC2)cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000013796695 561730117 /nfs/dbraw/zinc/73/01/17/561730117.db2.gz VOHQRZJNFDIQBM-UHFFFAOYSA-N 0 0 509.555 4.572 1 0 KJAFRN COC(=O)c1c(C(=O)N2CCCCC2)cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000013796698 561730088 /nfs/dbraw/zinc/73/00/88/561730088.db2.gz QMLKZTBMVAIFAT-UHFFFAOYSA-N 0 0 523.582 4.963 1 0 KJAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NC(=O)Nc3ccc4n[nH]cc4c3)C2=O)c1 ZINC000013798843 561730157 /nfs/dbraw/zinc/73/01/57/561730157.db2.gz BRLBNIBPJJVSFE-VWLOTQADSA-N 0 0 525.613 4.763 1 0 KJAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NC(=O)Nc3ccc4n[nH]cc4c3)C2=O)c1 ZINC000013798847 561730207 /nfs/dbraw/zinc/73/02/07/561730207.db2.gz BRLBNIBPJJVSFE-RUZDIDTESA-N 0 0 525.613 4.763 1 0 KJAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NC(=O)Nc3ccc(O)cc3)C2=O)c1 ZINC000013798859 561730201 /nfs/dbraw/zinc/73/02/01/561730201.db2.gz ARTQOMSJVZBAAA-DEOSSOPVSA-N 0 0 501.587 4.592 1 0 KJAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NC(=O)Nc3ccc(O)cc3)C2=O)c1 ZINC000013798863 561730159 /nfs/dbraw/zinc/73/01/59/561730159.db2.gz ARTQOMSJVZBAAA-XMMPIXPASA-N 0 0 501.587 4.592 1 0 KJAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NC(=O)Nc3ccc(N(C)C)cc3)C2=O)c1 ZINC000013798879 561730298 /nfs/dbraw/zinc/73/02/98/561730298.db2.gz NNFDWIIGXONORP-SANMLTNESA-N 0 0 528.657 4.952 1 0 KJAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NC(=O)Nc3ccc(N(C)C)cc3)C2=O)c1 ZINC000013798884 561730294 /nfs/dbraw/zinc/73/02/94/561730294.db2.gz NNFDWIIGXONORP-AREMUKBSSA-N 0 0 528.657 4.952 1 0 KJAFRN COc1ccc(NC(=O)N[C@@H]2CCc3ccccc3N(Cc3cccc(NC(=O)NC(C)C)c3)C2=O)cc1 ZINC000013798888 561730295 /nfs/dbraw/zinc/73/02/95/561730295.db2.gz XWTYUJLKVVCJPX-RUZDIDTESA-N 0 0 515.614 4.895 1 0 KJAFRN COc1ccc(NC(=O)N[C@H]2CCc3ccccc3N(Cc3cccc(NC(=O)NC(C)C)c3)C2=O)cc1 ZINC000013798893 561730317 /nfs/dbraw/zinc/73/03/17/561730317.db2.gz XWTYUJLKVVCJPX-VWLOTQADSA-N 0 0 515.614 4.895 1 0 KJAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)C2=O)c1 ZINC000013798933 561730300 /nfs/dbraw/zinc/73/03/00/561730300.db2.gz LQYXGNMVVJSKSB-QHCPKHFHSA-N 0 0 529.597 4.615 1 0 KJAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)C2=O)c1 ZINC000013798937 561730314 /nfs/dbraw/zinc/73/03/14/561730314.db2.gz LQYXGNMVVJSKSB-HSZRJFAPSA-N 0 0 529.597 4.615 1 0 KJAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000013800400 561730523 /nfs/dbraw/zinc/73/05/23/561730523.db2.gz UHXUKJPNFOYGKB-OFEZKSIWSA-N 0 0 502.567 4.521 1 0 KJAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000013800403 561730519 /nfs/dbraw/zinc/73/05/19/561730519.db2.gz PUEQTWGTNQUURY-OFEZKSIWSA-N 0 0 502.567 4.521 1 0 KJAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000013800406 561730504 /nfs/dbraw/zinc/73/05/04/561730504.db2.gz KNUFDNSKLOOTIB-OFEZKSIWSA-N 0 0 502.567 4.521 1 0 KJAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000013800408 561730508 /nfs/dbraw/zinc/73/05/08/561730508.db2.gz OSRCBCUYZBTKBZ-QIDLSXJSSA-N 0 0 502.567 4.521 1 0 KJAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000013800411 561730552 /nfs/dbraw/zinc/73/05/52/561730552.db2.gz ZHWQNJCSTDEVGM-QPVYNBJUSA-N 0 0 502.567 4.521 1 0 KJAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000013800414 561730516 /nfs/dbraw/zinc/73/05/16/561730516.db2.gz LQXOOIIURWJKRN-QPVYNBJUSA-N 0 0 502.567 4.521 1 0 KJAFRN CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)c1cc(I)ccc1F)CC2 ZINC000013817625 561732224 /nfs/dbraw/zinc/73/22/24/561732224.db2.gz MMSVZVRMEHKMAK-AWEZNQCLSA-N 0 0 508.375 4.828 1 0 KJAFRN C[NH+](C)CCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000013817674 561732238 /nfs/dbraw/zinc/73/22/38/561732238.db2.gz SNNMAESZUDRGAG-NRFANRHFSA-N 0 0 520.457 4.870 1 0 KJAFRN COc1ccc(C(=O)OC[C@H]2Cc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc1 ZINC000013825445 561732859 /nfs/dbraw/zinc/73/28/59/561732859.db2.gz NVVKDPSOTJQLEC-GOSISDBHSA-N 0 0 508.592 4.967 1 0 KJAFRN CCCCc1nnc([S@@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825666 561733022 /nfs/dbraw/zinc/73/30/22/561733022.db2.gz DEPOCTDJAFKUNK-KXQOOQHDSA-N 0 0 527.654 4.833 1 0 KJAFRN CCCCc1nnc([S@](=O)Cc2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825669 561733028 /nfs/dbraw/zinc/73/30/28/561733028.db2.gz DEPOCTDJAFKUNK-LHEWISCISA-N 0 0 527.654 4.833 1 0 KJAFRN CCCCc1nnc(C(=O)N(C)Cc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825685 561733018 /nfs/dbraw/zinc/73/30/18/561733018.db2.gz ZPSXTPXVPLXQDX-UHFFFAOYSA-N 0 0 506.614 4.788 1 0 KJAFRN O=C(CNC(=O)c1ccccc1)O[C@H](Cc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013831745 561733431 /nfs/dbraw/zinc/73/34/31/561733431.db2.gz OGYCLHBKUSCOLC-OAQYLSRUSA-N 0 0 504.892 4.882 1 0 KJAFRN O=C(CNC(=O)c1ccccc1)O[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013831746 561733408 /nfs/dbraw/zinc/73/34/08/561733408.db2.gz OGYCLHBKUSCOLC-NRFANRHFSA-N 0 0 504.892 4.882 1 0 KJAFRN CCCCc1nn(C[C@@H](OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832252 561733527 /nfs/dbraw/zinc/73/35/27/561733527.db2.gz RDWXWCVXYMAZDM-AREMUKBSSA-N 0 0 509.614 4.671 1 0 KJAFRN CCCCc1nn(C[C@H](OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832253 561733496 /nfs/dbraw/zinc/73/34/96/561733496.db2.gz RDWXWCVXYMAZDM-SANMLTNESA-N 0 0 509.614 4.671 1 0 KJAFRN CCCCc1nn(C(C)(C)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832256 561733474 /nfs/dbraw/zinc/73/34/74/561733474.db2.gz VCLHBPALCKRVFB-UHFFFAOYSA-N 0 0 521.625 4.901 1 0 KJAFRN COC(=O)c1cccc2nc(OCC(F)(F)F)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c21 ZINC000013832261 561733595 /nfs/dbraw/zinc/73/35/95/561733595.db2.gz BSQODZCCWHMNPZ-UHFFFAOYSA-N 0 0 508.460 4.659 1 0 KJAFRN CCCCc1nn(COc2ccc(Cl)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832709 561733684 /nfs/dbraw/zinc/73/36/84/561733684.db2.gz XRNKTEGCXWMSBS-UHFFFAOYSA-N 0 0 516.005 4.973 1 0 KJAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1Cc1ccccc1 ZINC000013863107 561734987 /nfs/dbraw/zinc/73/49/87/561734987.db2.gz JMXQXZAOEJECMZ-UHFFFAOYSA-N 0 0 519.550 4.546 1 0 KJAFRN CC(C)CCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000013885301 561735480 /nfs/dbraw/zinc/73/54/80/561735480.db2.gz PMKUFDGLMYDGTM-OTUXKISRSA-N 0 0 538.682 4.768 1 0 KJAFRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2cccc(Br)c2)[C@H](O)C[C@@H]1O ZINC000013901451 561735601 /nfs/dbraw/zinc/73/56/01/561735601.db2.gz VGDUBFZGFSYEKB-KEQMOKKCSA-N 0 0 509.481 4.725 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000013919058 561735746 /nfs/dbraw/zinc/73/57/46/561735746.db2.gz SGHBDLOMRUXKQF-CLJLJLNGSA-N 0 0 516.638 4.667 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC(C)C)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000013919060 561735702 /nfs/dbraw/zinc/73/57/02/561735702.db2.gz DLZVDBYNJQVSNK-AREMUKBSSA-N 0 0 518.654 4.958 1 0 KJAFRN CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc21 ZINC000013982259 561736044 /nfs/dbraw/zinc/73/60/44/561736044.db2.gz XAXXJCXWAJJGKZ-RSXGOPAZSA-N 0 0 515.670 4.626 1 0 KJAFRN CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)Cc1ccccc1 ZINC000014096223 561736405 /nfs/dbraw/zinc/73/64/05/561736405.db2.gz NQLWBXAFDHOBEJ-PMERELPUSA-N 0 0 588.789 4.912 1 0 KJAFRN CC(C)CNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000014113480 561736528 /nfs/dbraw/zinc/73/65/28/561736528.db2.gz MDBOTFRSILQXBP-IXCJQBJRSA-N 0 0 625.999 4.749 1 0 KJAFRN CC(C)CC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000014113484 561736574 /nfs/dbraw/zinc/73/65/74/561736574.db2.gz OIXTWEGQCSRVEN-GGXMVOPNSA-N 0 0 610.984 4.956 1 0 KJAFRN CN1CC[C@H](Oc2ccc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000014140581 561737117 /nfs/dbraw/zinc/73/71/17/561737117.db2.gz XESAEBNNDALGPZ-ROUUACIJSA-N 0 0 527.290 4.843 1 0 KJAFRN Nc1nccc2ccc(OC[C@@H](Cc3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc21 ZINC000014166324 561737163 /nfs/dbraw/zinc/73/71/63/561737163.db2.gz GTWGEIYIYPPASC-RUZDIDTESA-N 0 0 564.667 4.778 1 0 KJAFRN Nc1nccc2ccc(OC[C@@H](c3ccccc3)N3Cc4cc(-c5ccccc5S(N)(=O)=O)ccc4C3=O)cc21 ZINC000014166328 561737213 /nfs/dbraw/zinc/73/72/13/561737213.db2.gz RIDYAKQYDYAPSO-NDEPHWFRSA-N 0 0 550.640 4.908 1 0 KJAFRN COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1CCC[C@H]1C=N3)N=C[C@@H]1CCCN1C2=O ZINC000014210936 561737984 /nfs/dbraw/zinc/73/79/84/561737984.db2.gz JMRUKTNVBSHJFI-SFTDATJTSA-N 0 0 560.651 4.973 1 0 KJAFRN COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000014234245 561738088 /nfs/dbraw/zinc/73/80/88/561738088.db2.gz FSYRWSZRSUVZIQ-VZTVMPNDSA-N 0 0 625.744 4.913 1 0 KJAFRN COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000014234249 561738095 /nfs/dbraw/zinc/73/80/95/561738095.db2.gz VLHBSKDNBPFQLA-OAJQQGRKSA-N 0 0 621.756 4.695 1 0 KJAFRN O=C(CN1CCOCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014278006 561738985 /nfs/dbraw/zinc/73/89/85/561738985.db2.gz MXOFDARLDVKZQB-QHCPKHFHSA-N 0 0 555.519 4.767 1 0 KJAFRN O=C(C[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccncc1)NC1CC1 ZINC000014299666 561739459 /nfs/dbraw/zinc/73/94/59/561739459.db2.gz JDIQHLJYMXXNKB-SETSBSEESA-N 0 0 608.968 4.505 1 0 KJAFRN C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](O)[C@H](C)[C@@H]1C ZINC000014616568 561739656 /nfs/dbraw/zinc/73/96/56/561739656.db2.gz YREZDJJVCCDBTG-INQFUDPWSA-N 0 0 514.571 4.986 1 0 KJAFRN COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@H](C)C3)OCO2 ZINC000014692494 560224545 /nfs/dbraw/zinc/22/45/45/560224545.db2.gz PGEJVRVFUGSAJF-DSGZGZRTSA-N 0 0 520.534 4.670 1 0 biogenic,in-vitro KJAFRN COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C3)OCO2 ZINC000014692496 561739834 /nfs/dbraw/zinc/73/98/34/561739834.db2.gz PGEJVRVFUGSAJF-SSEZWIOCSA-N 0 0 520.534 4.670 1 0 biogenic,in-vitro KJAFRN O=C1N(Cc2ccccc2)[C@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COc2ccccc2)N1Cc1ccccc1 ZINC000014880060 561739905 /nfs/dbraw/zinc/73/99/05/561739905.db2.gz SQBOSZXDOHQFAA-SEVDZJIVSA-N 0 0 538.644 4.741 1 0 KJAFRN O=C1c2cccc(N3CCN(Cc4cccn4-c4nccs4)CC3)c2C(=O)N1Cc1ccc(Cl)cc1 ZINC000014880649 561740095 /nfs/dbraw/zinc/74/00/95/561740095.db2.gz DHIDXDFPSUHKQV-UHFFFAOYSA-N 0 0 518.042 4.706 1 0 KJAFRN O=C1N(CCCCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCCCCO ZINC000014907453 561740208 /nfs/dbraw/zinc/74/02/08/561740208.db2.gz ULBYZNDXPCBOLF-ZRTHHSRSSA-N 0 0 554.772 4.554 1 0 KJAFRN O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(O)c1 ZINC000014908090 561740195 /nfs/dbraw/zinc/74/01/95/561740195.db2.gz HMBROJULWCDLQT-FYZVQMPESA-N 0 0 562.670 4.651 1 0 KJAFRN COC(=O)Cc1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000014908094 561740207 /nfs/dbraw/zinc/74/02/07/561740207.db2.gz NFLSBSNFRZFUJE-IHIHPJAWSA-N 0 0 618.734 4.661 1 0 KJAFRN O=Cc1cccc(CN2C(=O)N(Cc3cccc(C=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000014908096 561740187 /nfs/dbraw/zinc/74/01/87/561740187.db2.gz SCAKARIEFOIUDT-WZJLIZBTSA-N 0 0 562.666 4.694 1 0 KJAFRN O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(Cc2ccccc2)N1Cc1ccc(O)cc1 ZINC000014908121 561740180 /nfs/dbraw/zinc/74/01/80/561740180.db2.gz SQFKCAMRRRAISM-FIRIVFDPSA-N 0 0 523.633 4.925 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)OC1CCCC1 ZINC000014942892 561740481 /nfs/dbraw/zinc/74/04/81/561740481.db2.gz UMNROTOYYWSPDV-KHQGQIEXSA-N 0 0 556.703 4.651 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000014943125 561740867 /nfs/dbraw/zinc/74/08/67/561740867.db2.gz ZJBUCZFZQXPYFC-AARHSHDHSA-N 0 0 544.692 4.507 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000014943186 561741112 /nfs/dbraw/zinc/74/11/12/561741112.db2.gz ZJBUCZFZQXPYFC-KMMGOQOWSA-N 0 0 544.692 4.507 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000014943187 561741158 /nfs/dbraw/zinc/74/11/58/561741158.db2.gz ZJBUCZFZQXPYFC-VQXQMPIVSA-N 0 0 544.692 4.507 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000014943272 561741171 /nfs/dbraw/zinc/74/11/71/561741171.db2.gz IVSJEGKVUYYFNA-BANMPPSNSA-N 0 0 562.682 4.646 1 0 KJAFRN Cc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000014943275 561741244 /nfs/dbraw/zinc/74/12/44/561741244.db2.gz CYHCGEKJFIIQML-RWUKFNQSSA-N 0 0 558.719 4.815 1 0 KJAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccc(F)cc3)[C@H](O)[C@H]2CCc2ccc(F)cc2)c1 ZINC000014943304 561741338 /nfs/dbraw/zinc/74/13/38/561741338.db2.gz HHKWKXOCHWLVQU-XWHIBYANSA-N 0 0 612.677 4.574 1 0 KJAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000014943326 561741334 /nfs/dbraw/zinc/74/13/34/561741334.db2.gz DOGRITFNUGZZKZ-XWHIBYANSA-N 0 0 548.687 4.779 1 0 KJAFRN O=C1N(Cc2ccccc2)[C@@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@H](COc2ccccc2)N1Cc1ccccc1 ZINC000014943328 561741316 /nfs/dbraw/zinc/74/13/16/561741316.db2.gz SQBOSZXDOHQFAA-YDPTYEFTSA-N 0 0 538.644 4.741 1 0 KJAFRN O=S1(=O)N(Cc2ccccc2)[C@H](CCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](CCc2ccccc2)N1Cc1ccccc1 ZINC000014943331 561741329 /nfs/dbraw/zinc/74/13/29/561741329.db2.gz DHQTXGHHAQJESR-WZJLIZBTSA-N 0 0 570.755 4.974 1 0 KJAFRN CC(C)(C)[C@@H](CC(=O)NC1CCCCC1)C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000014943380 561741624 /nfs/dbraw/zinc/74/16/24/561741624.db2.gz DKGUABRGUNATNU-HZFUHODCSA-N 0 0 551.728 4.503 1 0 KJAFRN CC(C)C(NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C)C(C)C ZINC000014943381 561741620 /nfs/dbraw/zinc/74/16/20/561741620.db2.gz SCXIXUQUBGZHMQ-HZFUHODCSA-N 0 0 567.771 4.850 1 0 KJAFRN CC(C)(C)[C@@H](CC(=O)Nc1ccccc1)C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000014943382 561741587 /nfs/dbraw/zinc/74/15/87/561741587.db2.gz YLIMGTGTLQYCAA-HZFUHODCSA-N 0 0 545.680 4.692 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000014943389 561741582 /nfs/dbraw/zinc/74/15/82/561741582.db2.gz ZSBOUDKJCSIODJ-VVZGZWEYSA-N 0 0 565.755 4.673 1 0 KJAFRN CCN(c1ncccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CCN(C)CC4)ccc3[nH]2)CC1 ZINC000014943755 561741992 /nfs/dbraw/zinc/74/19/92/561741992.db2.gz RYVGFQYOLRHQKG-UHFFFAOYSA-N 0 0 560.747 4.684 1 0 KJAFRN CCCN(c1ncccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CCN(C)CC4)ccc3[nH]2)CC1 ZINC000014943760 561742002 /nfs/dbraw/zinc/74/20/02/561742002.db2.gz LUFPANDAJTYMAK-UHFFFAOYSA-N 0 0 560.747 4.684 1 0 KJAFRN CCN(c1nc(Cl)ccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000014943762 561741967 /nfs/dbraw/zinc/74/19/67/561741967.db2.gz MIBYYPZYCJTOEQ-UHFFFAOYSA-N 0 0 547.125 4.929 1 0 KJAFRN CCN(c1nc(F)ccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CCN(C)CC4)ccc3[nH]2)CC1 ZINC000014943764 561741982 /nfs/dbraw/zinc/74/19/82/561741982.db2.gz ICKUJJYNBDMZDM-UHFFFAOYSA-N 0 0 578.737 4.823 1 0 KJAFRN COC(=O)NCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000014943817 561742018 /nfs/dbraw/zinc/74/20/18/561742018.db2.gz LYFBTACJCKWRJD-UHFFFAOYSA-N 0 0 526.369 4.762 1 0 KJAFRN COC(=O)NCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000014943819 561742027 /nfs/dbraw/zinc/74/20/27/561742027.db2.gz UVTOIVGNZXUPIG-UHFFFAOYSA-N 0 0 615.271 4.980 1 0 KJAFRN CCNC(=O)NCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000014943823 561742016 /nfs/dbraw/zinc/74/20/16/561742016.db2.gz WCJFMJYRGRLSEZ-UHFFFAOYSA-N 0 0 539.412 4.725 1 0 KJAFRN COC(=O)c1cc(C(=CCCN2CCOC2=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000014943829 561742020 /nfs/dbraw/zinc/74/20/20/561742020.db2.gz DDDPYUGDSDADAW-UHFFFAOYSA-N 0 0 538.380 4.858 1 0 KJAFRN CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1 ZINC000014944210 561742368 /nfs/dbraw/zinc/74/23/68/561742368.db2.gz AWHVBBSGHXQION-GDLZYMKVSA-N 0 0 574.762 4.826 1 0 KJAFRN CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1 ZINC000014944212 561742292 /nfs/dbraw/zinc/74/22/92/561742292.db2.gz AWHVBBSGHXQION-LJAQVGFWSA-N 0 0 574.762 4.826 1 0 KJAFRN Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c21 ZINC000014944879 561742686 /nfs/dbraw/zinc/74/26/86/561742686.db2.gz CBRVEUABHHKTIL-ULJHMMPZSA-N 0 0 559.630 4.825 1 0 KJAFRN CN(c1ccc(NC(=O)Cc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1 ZINC000014945120 561742881 /nfs/dbraw/zinc/74/28/81/561742881.db2.gz XGJGNIZVSIGIJT-UHFFFAOYSA-N 0 0 501.612 4.714 1 0 KJAFRN CN(c1ccc(NC(=N)Nc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1 ZINC000014945129 561742801 /nfs/dbraw/zinc/74/28/01/561742801.db2.gz WTTQMMJLQSHYGL-UHFFFAOYSA-N 0 0 501.616 4.991 1 0 KJAFRN CN(c1ccc(NC(=O)NCCc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1 ZINC000014945149 561742809 /nfs/dbraw/zinc/74/28/09/561742809.db2.gz DQXBQPHEQRETIN-UHFFFAOYSA-N 0 0 530.654 4.897 1 0 KJAFRN CN(c1ccc(NC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000014945171 561742817 /nfs/dbraw/zinc/74/28/17/561742817.db2.gz AHDFVTJYNGXCEO-UHFFFAOYSA-N 0 0 628.759 4.564 1 0 KJAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(NS(C)(=O)=O)c3)[nH]c(=O)c12 ZINC000014945251 561742877 /nfs/dbraw/zinc/74/28/77/561742877.db2.gz WLWNEJQTLIBFGL-UHFFFAOYSA-N 0 0 526.833 4.594 1 0 KJAFRN O=C1N(Cc2ccccc2)[C@H](Cc2ccc3c(c2)CCO3)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3c(c2)CCO3)N1Cc1ccccc1 ZINC000014945750 561743264 /nfs/dbraw/zinc/74/32/64/561743264.db2.gz CPUYSKJCJDRZOR-VPZGHRDASA-N 0 0 590.720 4.939 1 0 KJAFRN COCCNS(=O)(=O)c1ccc(Nc2ncc(Sc3ccccc3)c(-c3cnc4ccccn43)n2)cc1 ZINC000014945891 561743405 /nfs/dbraw/zinc/74/34/05/561743405.db2.gz WZVCLSLYOBRFOM-UHFFFAOYSA-N 0 0 532.651 4.611 1 0 KJAFRN COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccc(Sc5ccccc5)cn43)n2)cc1 ZINC000014945895 561743380 /nfs/dbraw/zinc/74/33/80/561743380.db2.gz AKKYFIFRTKACRF-UHFFFAOYSA-N 0 0 532.651 4.611 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OCC2CCCCC2)cc1 ZINC000014946335 561743624 /nfs/dbraw/zinc/74/36/24/561743624.db2.gz WKMWOKUOGDUGMA-RRPNLBNLSA-N 0 0 562.729 4.695 1 0 KJAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000014946359 561743600 /nfs/dbraw/zinc/74/36/00/561743600.db2.gz DVIKQNFIOVYHIX-HTQIHCHASA-N 0 0 603.763 4.920 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)[C@@H](Cc3ccccc3)C[C@@H]2Cc2ccccc2)CC2CCCC2)cc1 ZINC000014946363 561743713 /nfs/dbraw/zinc/74/37/13/561743713.db2.gz YTGKHEDTLHRZGX-RWSKJCERSA-N 0 0 590.786 4.940 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946376 561743703 /nfs/dbraw/zinc/74/37/03/561743703.db2.gz MFNQYKSTTNQZCY-AJIIGFCHSA-N 0 0 546.705 4.799 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]2CCCCCCCCCOc3c(O)cccc3C(=O)N2)cc1 ZINC000014946396 561743684 /nfs/dbraw/zinc/74/36/84/561743684.db2.gz XAJNFGMYCCUBDT-XTEPFMGCSA-N 0 0 576.756 4.720 1 0 KJAFRN Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000014946718 561744145 /nfs/dbraw/zinc/74/41/45/561744145.db2.gz WGNXTDDSGVECCL-PMERELPUSA-N 0 0 565.780 4.996 1 0 KJAFRN Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(Cc2cccc(N)c2)c2ccccc2)cc1 ZINC000014946736 561744292 /nfs/dbraw/zinc/74/42/92/561744292.db2.gz UWEBUXQKMPHDIG-PMERELPUSA-N 0 0 580.795 4.578 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946745 561744270 /nfs/dbraw/zinc/74/42/70/561744270.db2.gz UWJGSOBAFMJAGX-LJAQVGFWSA-N 0 0 566.768 4.859 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1cccs1)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946748 561744261 /nfs/dbraw/zinc/74/42/61/561744261.db2.gz BELVCNIPCAQSDE-SANMLTNESA-N 0 0 572.797 4.920 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccc2c1OCO2)S(=O)(=O)c1ccc(N)cc1 ZINC000014946749 561744287 /nfs/dbraw/zinc/74/42/87/561744287.db2.gz FTBLXBYPPSJOGB-NDEPHWFRSA-N 0 0 610.777 4.587 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946751 561744249 /nfs/dbraw/zinc/74/42/49/561744249.db2.gz GIKRNNJJZKPFLJ-LJAQVGFWSA-N 0 0 584.758 4.998 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1 ZINC000014946752 561744297 /nfs/dbraw/zinc/74/42/97/561744297.db2.gz MSBYYCSXZCEAQC-VWLOTQADSA-N 0 0 616.806 4.649 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccsc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1 ZINC000014946753 561744280 /nfs/dbraw/zinc/74/42/80/561744280.db2.gz CULKWWDNMBXCFU-SANMLTNESA-N 0 0 616.806 4.649 1 0 KJAFRN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000014946754 561744308 /nfs/dbraw/zinc/74/43/08/561744308.db2.gz YLZXTYZKINQZLV-NDEPHWFRSA-N 0 0 640.803 4.596 1 0 KJAFRN CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccc2c1OCO2)S(=O)(=O)c1ccc(N)cc1 ZINC000014946756 561744246 /nfs/dbraw/zinc/74/42/46/561744246.db2.gz NKZUVGNXYGUTGS-LJAQVGFWSA-N 0 0 624.804 4.978 1 0 KJAFRN CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1 ZINC000014946757 561744276 /nfs/dbraw/zinc/74/42/76/561744276.db2.gz HCFIPXMDHMTYDP-LJAQVGFWSA-N 0 0 624.804 4.978 1 0 KJAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1cnc(NC(=O)c2ccc(C)c(Br)c2)nc1 ZINC000014949906 561745337 /nfs/dbraw/zinc/74/53/37/561745337.db2.gz QMPOGHCAFNBWOI-UHFFFAOYSA-N 0 0 608.497 4.596 1 0 KJAFRN Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(-n2ccnc2C)c1 ZINC000014950383 561745486 /nfs/dbraw/zinc/74/54/86/561745486.db2.gz GIZJTKMNZOZPFC-UHFFFAOYSA-N 0 0 547.501 4.855 1 0 KJAFRN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4CN4CCCC4)cc3F)cc12 ZINC000014950386 561745515 /nfs/dbraw/zinc/74/55/15/561745515.db2.gz GONSXYIFCYXXJP-UHFFFAOYSA-N 0 0 554.508 4.787 1 0 KJAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(N)c1 ZINC000014950631 561745674 /nfs/dbraw/zinc/74/56/74/561745674.db2.gz TXUBVGAAKIESEX-UHFFFAOYSA-N 0 0 556.566 4.755 1 0 KJAFRN COc1ccc(C(=O)NCC2CCN(c3cc[n+]([O-])cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953601 561746706 /nfs/dbraw/zinc/74/67/06/561746706.db2.gz FBTFPMRXJWAEPC-UHFFFAOYSA-N 0 0 530.452 4.903 1 0 KJAFRN COc1cc(C(=O)N2CCN(Cc3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1OC ZINC000014953610 561746719 /nfs/dbraw/zinc/74/67/19/561746719.db2.gz FISLUEWNTGQBAP-UHFFFAOYSA-N 0 0 530.452 4.985 1 0 KJAFRN CCc1c(C(=O)OCCCn2ccnc2)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12 ZINC000014954102 561746922 /nfs/dbraw/zinc/74/69/22/561746922.db2.gz CQTPFJKIPFEALQ-UHFFFAOYSA-N 0 0 520.597 4.877 1 0 KJAFRN CCCCc1cc(-c2ccccc2)cc(CCCC)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956371 561747601 /nfs/dbraw/zinc/74/76/01/561747601.db2.gz GPRWAZNAHSCQBJ-UHFFFAOYSA-N 0 0 586.785 4.615 1 0 KJAFRN CCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956383 561747624 /nfs/dbraw/zinc/74/76/24/561747624.db2.gz NHJGGBOIASKXGY-UHFFFAOYSA-N 0 0 592.748 4.550 1 0 KJAFRN CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956387 561747621 /nfs/dbraw/zinc/74/76/21/561747621.db2.gz VCETZICKGRMEAH-UHFFFAOYSA-N 0 0 592.748 4.720 1 0 KJAFRN CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956391 561747596 /nfs/dbraw/zinc/74/75/96/561747596.db2.gz KAPQCQSLIQQMQE-UHFFFAOYSA-N 0 0 606.775 4.940 1 0 KJAFRN CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956395 561747636 /nfs/dbraw/zinc/74/76/36/561747636.db2.gz VPTXVOFVTSHNSY-UHFFFAOYSA-N 0 0 606.775 4.895 1 0 KJAFRN Cc1ccc(-n2nc(C(C)(C)CO)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 ZINC000014956534 561747619 /nfs/dbraw/zinc/74/76/19/561747619.db2.gz GPWFFJYJAIOOMC-UHFFFAOYSA-N 0 0 543.668 4.959 1 0 KJAFRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C)c1 ZINC000014959542 561748220 /nfs/dbraw/zinc/74/82/20/561748220.db2.gz XVGVQHKKBOYQOC-MHWRTBLVSA-N 0 0 559.698 4.727 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2NC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000014962057 561748660 /nfs/dbraw/zinc/74/86/60/561748660.db2.gz NKNJPZKXSPBIFO-UHFFFAOYSA-N 0 0 528.403 4.865 1 0 KJAFRN COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)c(=O)oc21 ZINC000014962077 561748674 /nfs/dbraw/zinc/74/86/74/561748674.db2.gz MRDWDHZSINJWSN-UHFFFAOYSA-N 0 0 558.429 4.874 1 0 KJAFRN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCO)c1Cl ZINC000014963097 561748808 /nfs/dbraw/zinc/74/88/08/561748808.db2.gz RTZIXXQWZLORDX-UHFFFAOYSA-N 0 0 586.885 4.750 1 0 KJAFRN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NC(=O)CO2)c1Cl ZINC000014963141 561748862 /nfs/dbraw/zinc/74/88/62/561748862.db2.gz LNQJTMLSOGSJSG-UHFFFAOYSA-N 0 0 582.853 4.961 1 0 KJAFRN CN(Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl)C[C@@H](O)CO ZINC000014963713 561749179 /nfs/dbraw/zinc/74/91/79/561749179.db2.gz FLTXDVPKENYNGT-QGZVFWFLSA-N 0 0 542.872 4.998 1 0 KJAFRN CN(Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl)C[C@H](O)CO ZINC000014963718 561749203 /nfs/dbraw/zinc/74/92/03/561749203.db2.gz FLTXDVPKENYNGT-KRWDZBQOSA-N 0 0 542.872 4.998 1 0 KJAFRN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NCCCN2CCC([NH+]3CCCCC3)CC2)ccc2c1CCCC2 ZINC000014964537 561749258 /nfs/dbraw/zinc/74/92/58/561749258.db2.gz RMTMVSAWPQDVLL-UHFFFAOYSA-N 0 0 554.757 4.817 1 0 KJAFRN CC[NH+](CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc(-c2ccoc2)c(OC)c1C(=O)[O-] ZINC000014965144 561749530 /nfs/dbraw/zinc/74/95/30/561749530.db2.gz XZRXFLFNOOIQFH-SREVYHEPSA-N 0 0 502.564 4.948 1 0 KJAFRN CCC(=O)OCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21 ZINC000014966546 561749957 /nfs/dbraw/zinc/74/99/57/561749957.db2.gz GSKJXPTZYJBTHL-SSEXGKCCSA-N 0 0 631.770 4.771 1 0 KJAFRN COCCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21 ZINC000014966557 561749952 /nfs/dbraw/zinc/74/99/52/561749952.db2.gz ZBADYPWHOVIUSC-SSEXGKCCSA-N 0 0 603.760 4.854 1 0 KJAFRN COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](CCN2CCOCC2)CN2CCc3cc(F)ccc32)c1 ZINC000014971543 561751191 /nfs/dbraw/zinc/75/11/91/561751191.db2.gz BFHDYXSSAAUGPU-SMCANUKXSA-N 0 0 594.772 4.563 1 0 KJAFRN CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000014971682 561751326 /nfs/dbraw/zinc/75/13/26/561751326.db2.gz JCVVPJQKEKNZSD-RTWAWAEBSA-N 0 0 513.601 4.727 1 0 KJAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000014971691 561751296 /nfs/dbraw/zinc/75/12/96/561751296.db2.gz QOFIKIPUVAEFJX-ZJSXRUAMSA-N 0 0 527.628 4.973 1 0 KJAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1 ZINC000014971716 561751252 /nfs/dbraw/zinc/75/12/52/561751252.db2.gz SGUFQZKYBCMRLX-NFBKMPQASA-N 0 0 513.601 4.583 1 0 KJAFRN CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1 ZINC000014971721 561751284 /nfs/dbraw/zinc/75/12/84/561751284.db2.gz UVFDJIMGWCMLGE-IRLDBZIGSA-N 0 0 513.601 4.727 1 0 KJAFRN C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1 ZINC000014971725 561751289 /nfs/dbraw/zinc/75/12/89/561751289.db2.gz CWXIAWHWURXDDU-PZJWPPBQSA-N 0 0 513.601 4.727 1 0 KJAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1 ZINC000014971730 561751286 /nfs/dbraw/zinc/75/12/86/561751286.db2.gz NWYVKJJBDUXGPW-ZJSXRUAMSA-N 0 0 527.628 4.973 1 0 KJAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 ZINC000014971754 561751316 /nfs/dbraw/zinc/75/13/16/561751316.db2.gz JPFKZQDIUQZZNY-RCZVLFRGSA-N 0 0 535.607 4.636 1 0 KJAFRN O=C(C[C@H](C(=O)N[C@H](CNc1ccc(OC(F)(F)F)cc1)c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000014971766 561751280 /nfs/dbraw/zinc/75/12/80/561751280.db2.gz PSBWTPWDDHNYPT-IZZNHLLZSA-N 0 0 541.570 4.887 1 0 KJAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000014971778 561751261 /nfs/dbraw/zinc/75/12/61/561751261.db2.gz WJVNWVPAGDRBSY-XZOQPEGZSA-N 0 0 541.998 4.824 1 0 KJAFRN C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000014971803 561751431 /nfs/dbraw/zinc/75/14/31/561751431.db2.gz WVXJSILFDKEKGC-KKSFZXQISA-N 0 0 547.496 4.553 1 0 KJAFRN O=C(C[C@H](C(=O)N[C@H](CNc1ccc(OC(F)(F)F)cc1)C1CC1)c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000014971807 561751405 /nfs/dbraw/zinc/75/14/05/561751405.db2.gz SCMZSMNINRMDKK-XZOQPEGZSA-N 0 0 573.534 4.943 1 0 KJAFRN O=C(N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000014971828 561751426 /nfs/dbraw/zinc/75/14/26/561751426.db2.gz YVNKVURFOBPKHU-DGPALRBDSA-N 0 0 567.702 4.698 1 0 KJAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000014971839 561751394 /nfs/dbraw/zinc/75/13/94/561751394.db2.gz PJMGUOBHINXUAY-PKTZIBPZSA-N 0 0 529.600 4.946 1 0 KJAFRN C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCSCC1 ZINC000014971890 561751420 /nfs/dbraw/zinc/75/14/20/561751420.db2.gz GTULEBHQFAVTAZ-CYFREDJKSA-N 0 0 505.700 4.952 1 0 KJAFRN C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC1CCOCC1 ZINC000014971970 561751414 /nfs/dbraw/zinc/75/14/14/561751414.db2.gz NIYLYMJVTONMDJ-JTSKRJEESA-N 0 0 515.573 4.746 1 0 KJAFRN CCCC[C@H](NC(=O)O[C@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)CNC(=O)N1CCOCC1 ZINC000014972282 561751449 /nfs/dbraw/zinc/75/14/49/561751449.db2.gz NHQNWNOSFNNJLZ-UKILVPOCSA-N 0 0 595.663 4.880 1 0 KJAFRN CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000014973115 561751730 /nfs/dbraw/zinc/75/17/30/561751730.db2.gz XHEXBBPSQHCXFU-OAQYLSRUSA-N 0 0 565.777 4.907 1 0 KJAFRN CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000014973119 561751716 /nfs/dbraw/zinc/75/17/16/561751716.db2.gz XHEXBBPSQHCXFU-NRFANRHFSA-N 0 0 565.777 4.907 1 0 KJAFRN CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000014973123 561751734 /nfs/dbraw/zinc/75/17/34/561751734.db2.gz RERDOWROKULWDB-OAQYLSRUSA-N 0 0 534.694 4.602 1 0 KJAFRN CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000014973127 561751752 /nfs/dbraw/zinc/75/17/52/561751752.db2.gz RERDOWROKULWDB-NRFANRHFSA-N 0 0 534.694 4.602 1 0 KJAFRN Cc1ccc(C[C@@H](CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(Cl)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973234 561751896 /nfs/dbraw/zinc/75/18/96/561751896.db2.gz UJUTVGATQFTSHP-CTNGQTDRSA-N 0 0 537.122 4.996 1 0 KJAFRN Cc1ccc(C[C@@H](CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(Cl)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973238 561751873 /nfs/dbraw/zinc/75/18/73/561751873.db2.gz UJUTVGATQFTSHP-FPOVZHCZSA-N 0 0 537.122 4.996 1 0 KJAFRN Cc1ccc(C[C@H](CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(Cl)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973243 561751865 /nfs/dbraw/zinc/75/18/65/561751865.db2.gz UJUTVGATQFTSHP-TZIWHRDSSA-N 0 0 537.122 4.996 1 0 KJAFRN Cc1ccc(C[C@H](CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(Cl)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973247 561751897 /nfs/dbraw/zinc/75/18/97/561751897.db2.gz UJUTVGATQFTSHP-PZJWPPBQSA-N 0 0 537.122 4.996 1 0 KJAFRN Cc1ccc(C[C@@H](CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000014973265 561752019 /nfs/dbraw/zinc/75/20/19/561752019.db2.gz KEBSGEOWFWZBNL-QFIPXVFZSA-N 0 0 516.704 4.517 1 0 KJAFRN Cc1ccc(C[C@H](CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000014973269 561752021 /nfs/dbraw/zinc/75/20/21/561752021.db2.gz KEBSGEOWFWZBNL-JOCHJYFZSA-N 0 0 516.704 4.517 1 0 KJAFRN Cc1ccc(C[C@@H](CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973272 561752038 /nfs/dbraw/zinc/75/20/38/561752038.db2.gz FOJDWLDFVVPKDW-NRFANRHFSA-N 0 0 534.694 4.656 1 0 KJAFRN Cc1ccc(C[C@H](CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973276 561752028 /nfs/dbraw/zinc/75/20/28/561752028.db2.gz FOJDWLDFVVPKDW-OAQYLSRUSA-N 0 0 534.694 4.656 1 0 KJAFRN COc1cc(C(C)(C)C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000014973280 561751946 /nfs/dbraw/zinc/75/19/46/561751946.db2.gz ZWXVCXZXXCMLFX-QFIPXVFZSA-N 0 0 546.730 4.526 1 0 KJAFRN COc1cc(C(C)(C)C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000014973284 561751980 /nfs/dbraw/zinc/75/19/80/561751980.db2.gz ZWXVCXZXXCMLFX-JOCHJYFZSA-N 0 0 546.730 4.526 1 0 KJAFRN CCOP(=O)(CCn1c(Sc2nc3cncc(Br)c3s2)nc2c1ncnc2N)OCC ZINC000014974534 561752159 /nfs/dbraw/zinc/75/21/59/561752159.db2.gz SECQDSIPIFHPOE-UHFFFAOYSA-N 0 0 544.397 4.593 1 0 KJAFRN CCNC(=O)c1noc(-c2cc(CCc3ccccc3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 ZINC000014974889 561752117 /nfs/dbraw/zinc/75/21/17/561752117.db2.gz NBORIEUQDSFVFQ-UHFFFAOYSA-N 0 0 527.621 4.787 1 0 KJAFRN CCNC(=O)c1noc(-c2cc(CCc3ccc(F)cc3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 ZINC000014974898 561752098 /nfs/dbraw/zinc/75/20/98/561752098.db2.gz KJSBEFKXARDWBJ-UHFFFAOYSA-N 0 0 545.611 4.926 1 0 KJAFRN CCNC(=O)c1noc(-c2cc(CCc3cccc(F)c3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 ZINC000014974904 561752079 /nfs/dbraw/zinc/75/20/79/561752079.db2.gz ZEVCEUSBFMYXLZ-UHFFFAOYSA-N 0 0 545.611 4.926 1 0 KJAFRN CCNC(=O)c1noc(-c2cc(-c3ccccc3F)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 ZINC000014974913 561752122 /nfs/dbraw/zinc/75/21/22/561752122.db2.gz AXYVGIWCXQOTTL-UHFFFAOYSA-N 0 0 517.557 4.808 1 0 KJAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCN4CCOCC4)c4onc(N)c43)cc2)c1 ZINC000014975438 561752096 /nfs/dbraw/zinc/75/20/96/561752096.db2.gz YRDYSQQOGNXODJ-UHFFFAOYSA-N 0 0 505.550 4.880 1 0 KJAFRN CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCCCC3)c2c(=O)n(C)c1=O ZINC000014977695 561752476 /nfs/dbraw/zinc/75/24/76/561752476.db2.gz DPXDDCHGEHPRRW-UHFFFAOYSA-N 0 0 507.578 4.653 1 0 KJAFRN CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3cnccn3)nc2-c2ccc(OC)cc2)cc1 ZINC000014978214 561752558 /nfs/dbraw/zinc/75/25/58/561752558.db2.gz UPKZDOWFHUACHP-UHFFFAOYSA-N 0 0 505.644 4.796 1 0 KJAFRN COc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000014978238 561752682 /nfs/dbraw/zinc/75/26/82/561752682.db2.gz VDHKOWSRLQHFMY-UHFFFAOYSA-N 0 0 558.129 4.666 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000015155776 560229042 /nfs/dbraw/zinc/22/90/42/560229042.db2.gz FGGPIWICAGRSLN-CTBMHKIISA-N 0 0 518.647 4.615 1 0 in-vitro KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000015155779 560229044 /nfs/dbraw/zinc/22/90/44/560229044.db2.gz FGGPIWICAGRSLN-CXJUFNGPSA-N 0 0 518.647 4.615 1 0 biogenic,in-vitro KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000015155782 561752863 /nfs/dbraw/zinc/75/28/63/561752863.db2.gz FGGPIWICAGRSLN-HNTGADESSA-N 0 0 518.647 4.615 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000015155785 561752836 /nfs/dbraw/zinc/75/28/36/561752836.db2.gz FGGPIWICAGRSLN-YYFQKUMWSA-N 0 0 518.647 4.615 1 0 biogenic,in-vitro KJAFRN C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000015262610 291853977 /nfs/dbraw/zinc/85/39/77/291853977.db2.gz BKGUPIVDQHHVMV-LSHKVNPSSA-N 0 0 514.571 4.610 1 0 biogenic,in-vitro KJAFRN C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@]1(C)O ZINC000015262635 291853978 /nfs/dbraw/zinc/85/39/78/291853978.db2.gz RHABJANPSGWEFC-JRJMQGIASA-N 0 0 530.614 4.899 1 0 biogenic,in-vitro KJAFRN CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O ZINC000016051670 561753775 /nfs/dbraw/zinc/75/37/75/561753775.db2.gz COVPLULNDBDXTN-KYJUHHDHSA-N 0 0 536.676 4.721 1 0 in-vivo KJAFRN CCCN(C1CCN(Cc2c(OC)cccc2OC)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000016080025 561753984 /nfs/dbraw/zinc/75/39/84/561753984.db2.gz MIIPDAAENRAYGU-UHFFFAOYSA-N 0 0 500.583 4.788 1 0 KJAFRN COC(=O)C[C@@H]([C@@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216261 561754408 /nfs/dbraw/zinc/75/44/08/561754408.db2.gz LNVMNDUKVCWNOC-BRKVKBHOSA-N 0 0 515.562 4.802 1 0 KJAFRN COC(=O)C[C@H]([C@@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216264 561754398 /nfs/dbraw/zinc/75/43/98/561754398.db2.gz LNVMNDUKVCWNOC-AOGFTHLWSA-N 0 0 515.562 4.802 1 0 KJAFRN COC(=O)C[C@@H]([C@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216267 561754373 /nfs/dbraw/zinc/75/43/73/561754373.db2.gz LNVMNDUKVCWNOC-KZZMTEEBSA-N 0 0 515.562 4.802 1 0 KJAFRN COC(=O)C[C@H]([C@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216270 561754422 /nfs/dbraw/zinc/75/44/22/561754422.db2.gz LNVMNDUKVCWNOC-CPKBAGSISA-N 0 0 515.562 4.802 1 0 KJAFRN COC(=O)C[C@H]([C@H](C(=O)OCc1ccccc1)[C@@H](C)O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216276 561754384 /nfs/dbraw/zinc/75/43/84/561754384.db2.gz XMOIYHJTZCPCDL-DBDBHRJJSA-N 0 0 517.578 4.593 1 0 KJAFRN COC(=O)C[C@H]([C@@H](C(=O)OCc1ccccc1)[C@@H](C)O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017216282 561754391 /nfs/dbraw/zinc/75/43/91/561754391.db2.gz XMOIYHJTZCPCDL-JWFIUXRNSA-N 0 0 517.578 4.593 1 0 KJAFRN CC(C)[NH2+]C[C@H](O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1NC(=O)CCC(=O)[O-] ZINC000017253427 561754495 /nfs/dbraw/zinc/75/44/95/561754495.db2.gz IMJMLBSCHULKHI-VWLOTQADSA-N 0 0 506.599 4.679 1 0 KJAFRN CCCCOP(=O)(OCCCC)[C@@](NS(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000017256330 561754481 /nfs/dbraw/zinc/75/44/81/561754481.db2.gz ACHUBZWZVFDAMN-SFHVURJKSA-N 0 0 503.476 4.613 1 0 KJAFRN COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCOCC4)c4ccc5c(c4)OCO5)c(OC)cc(OC)c32)cc1 ZINC000017655003 561757768 /nfs/dbraw/zinc/75/77/68/561757768.db2.gz NMDWFNRAMPSGBC-ZEQRLZLVSA-N 0 0 561.631 4.736 1 0 KJAFRN COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCOCC4)c4ccc5c(c4)OCO5)c(OC)cc(OC)c32)cc1 ZINC000017655005 561757773 /nfs/dbraw/zinc/75/77/73/561757773.db2.gz NMDWFNRAMPSGBC-BJKOFHAPSA-N 0 0 561.631 4.736 1 0 KJAFRN COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CCN4CCOCC4)c4ccc5c(c4)OCO5)c(OC)cc(OC)c32)cc1 ZINC000017655007 561757816 /nfs/dbraw/zinc/75/78/16/561757816.db2.gz NMDWFNRAMPSGBC-RPWUZVMVSA-N 0 0 561.631 4.736 1 0 KJAFRN COc1ccc([C@H]2CC(=O)Oc3c([C@H](CCN4CCOCC4)c4ccc5c(c4)OCO5)c(OC)cc(OC)c32)cc1 ZINC000017655009 561757770 /nfs/dbraw/zinc/75/77/70/561757770.db2.gz NMDWFNRAMPSGBC-DNQXCXABSA-N 0 0 561.631 4.736 1 0 KJAFRN COc1cc([C@@H](CC(=O)N2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017655051 561757793 /nfs/dbraw/zinc/75/77/93/561757793.db2.gz KIFFTAZQOVPVOO-JOCHJYFZSA-N 0 0 589.641 4.884 1 0 KJAFRN COc1cc([C@H](CC(=O)N2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017655053 561757813 /nfs/dbraw/zinc/75/78/13/561757813.db2.gz KIFFTAZQOVPVOO-QFIPXVFZSA-N 0 0 589.641 4.884 1 0 KJAFRN COc1ccc([C@H]2C=CCN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018032233 561758014 /nfs/dbraw/zinc/75/80/14/561758014.db2.gz SKIIQRORWOXZJR-MLYIPFRESA-N 0 0 554.684 4.501 1 0 KJAFRN COc1ccc([C@@H]2C=CCN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018069343 561758038 /nfs/dbraw/zinc/75/80/38/561758038.db2.gz SKIIQRORWOXZJR-UUOHFWCXSA-N 0 0 554.684 4.501 1 0 KJAFRN CCCn1c2c(Cl)c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000018804849 561758395 /nfs/dbraw/zinc/75/83/95/561758395.db2.gz XMBROSDRBABBEI-UHFFFAOYSA-N 0 0 537.016 4.852 1 0 KJAFRN CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000019685765 561758546 /nfs/dbraw/zinc/75/85/46/561758546.db2.gz LUKZNWIVRBCLON-MBCAFBPJSA-N 0 0 540.697 4.704 1 0 KJAFRN CC(C)(C)NC(=O)[C@H](c1cccs1)N(CCCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000019825821 561758498 /nfs/dbraw/zinc/75/84/98/561758498.db2.gz JATAADIPJGKMSK-VWLOTQADSA-N 0 0 508.688 4.564 1 0 KJAFRN CC(C)(C)NC(=O)[C@@H](c1cccs1)N(CCCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000019825824 561758549 /nfs/dbraw/zinc/75/85/49/561758549.db2.gz JATAADIPJGKMSK-RUZDIDTESA-N 0 0 508.688 4.564 1 0 KJAFRN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C[C@@H](O)COc4ccc5sc(C)nc5c4)CC3)ccc21 ZINC000022449474 561759250 /nfs/dbraw/zinc/75/92/50/561759250.db2.gz WYMUHCAWPDYRJQ-HSZRJFAPSA-N 0 0 557.720 4.729 1 0 KJAFRN Cc1cccc(N)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022451122 561759242 /nfs/dbraw/zinc/75/92/42/561759242.db2.gz RAKTXXNBDRXTAX-ZEQRLZLVSA-N 0 0 604.773 4.511 1 0 KJAFRN O[C@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022580993 561759394 /nfs/dbraw/zinc/75/93/94/561759394.db2.gz MDXINFJMAMCHOD-NRFANRHFSA-N 0 0 529.497 4.520 1 0 KJAFRN COC(=O)CN1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926959 561759766 /nfs/dbraw/zinc/75/97/66/561759766.db2.gz KYBTWYULZRXBGL-NRFANRHFSA-N 0 0 504.471 4.773 1 0 KJAFRN COC(=O)CN1CCN([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926963 561759697 /nfs/dbraw/zinc/75/96/97/561759697.db2.gz KYBTWYULZRXBGL-OAQYLSRUSA-N 0 0 504.471 4.773 1 0 KJAFRN C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927977 561760137 /nfs/dbraw/zinc/76/01/37/561760137.db2.gz BBLLVWVCYKBQBL-SUYBVONHSA-N 0 0 514.689 4.826 1 0 KJAFRN C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927980 561760069 /nfs/dbraw/zinc/76/00/69/561760069.db2.gz BBLLVWVCYKBQBL-MXBOTTGLSA-N 0 0 514.689 4.826 1 0 KJAFRN C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927984 561760126 /nfs/dbraw/zinc/76/01/26/561760126.db2.gz BBLLVWVCYKBQBL-HVNZXBJASA-N 0 0 514.689 4.826 1 0 KJAFRN C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)CC1)C(=O)c1ccccc1 ZINC000022927989 561760088 /nfs/dbraw/zinc/76/00/88/561760088.db2.gz BBLLVWVCYKBQBL-NEEKEDPPSA-N 0 0 514.689 4.826 1 0 KJAFRN CC(C)N1CCN(CCN2CCN([C@@H]3C[C@@H](c4ccc(F)cc4)c4cc(Br)ccc43)CC2)C1=O ZINC000022940795 561761050 /nfs/dbraw/zinc/76/10/50/561761050.db2.gz JOAAFQMXBGOANP-AZGAKELHSA-N 0 0 529.498 4.929 1 0 KJAFRN O[C@@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023257023 561761382 /nfs/dbraw/zinc/76/13/82/561761382.db2.gz MDXINFJMAMCHOD-OAQYLSRUSA-N 0 0 529.497 4.520 1 0 KJAFRN C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c([N-]S(=O)(=O)c4ccccc4)nc3n2)CC1 ZINC000023357790 561761752 /nfs/dbraw/zinc/76/17/52/561761752.db2.gz YLYQCDIBBXQWFP-UHFFFAOYSA-N 0 0 586.549 4.849 1 0 KJAFRN CN1CCN(CC(=O)N=c2[nH]c3ccc(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)cc3[nH]2)CC1 ZINC000023359574 561762108 /nfs/dbraw/zinc/76/21/08/561762108.db2.gz WYSIIHBXZUVHPY-UHFFFAOYSA-N 0 0 585.562 4.765 1 0 KJAFRN 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/nfs/dbraw/zinc/76/30/49/561763049.db2.gz RRRURLRTEPJQRT-RDGATRHJSA-N 0 0 659.777 4.648 1 0 KJAFRN CCCC[C@H](CC)CNC(=O)OC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000025964035 561763037 /nfs/dbraw/zinc/76/30/37/561763037.db2.gz RRRURLRTEPJQRT-DHLKQENFSA-N 0 0 659.777 4.648 1 0 KJAFRN CCCC[C@@H](CC)CNC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000025964041 561763023 /nfs/dbraw/zinc/76/30/23/561763023.db2.gz RRRURLRTEPJQRT-RCZVLFRGSA-N 0 0 659.777 4.648 1 0 KJAFRN CCCC[C@H](CC)CNC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000025964046 561763004 /nfs/dbraw/zinc/76/30/04/561763004.db2.gz RRRURLRTEPJQRT-WIOPSUGQSA-N 0 0 659.777 4.648 1 0 KJAFRN COc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025981598 561763933 /nfs/dbraw/zinc/76/39/33/561763933.db2.gz AZPRVIIDMNLACN-RUZDIDTESA-N 0 0 502.640 4.631 1 0 KJAFRN COc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025981606 561763957 /nfs/dbraw/zinc/76/39/57/561763957.db2.gz AZPRVIIDMNLACN-VWLOTQADSA-N 0 0 502.640 4.631 1 0 KJAFRN CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025982057 561764043 /nfs/dbraw/zinc/76/40/43/561764043.db2.gz LIUNHKQLKIOFTF-HHHXNRCGSA-N 0 0 529.666 4.581 1 0 KJAFRN CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025982065 561764031 /nfs/dbraw/zinc/76/40/31/561764031.db2.gz LIUNHKQLKIOFTF-MHZLTWQESA-N 0 0 529.666 4.581 1 0 KJAFRN CCS[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000025989313 561764614 /nfs/dbraw/zinc/76/46/14/561764614.db2.gz XQLQNLOPRYSJBA-QWLLIXBYSA-N 0 0 607.858 4.541 1 0 KJAFRN CCS[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000025989322 561764613 /nfs/dbraw/zinc/76/46/13/561764613.db2.gz XQLQNLOPRYSJBA-COJYKABBSA-N 0 0 607.858 4.541 1 0 KJAFRN COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1-c1ccccc1)CCCN2 ZINC000026002006 561765416 /nfs/dbraw/zinc/76/54/16/561765416.db2.gz XCTHUNKHDUMJGV-SANMLTNESA-N 0 0 516.642 4.986 1 0 KJAFRN COc1cc(Br)c(-n2c3nc(C)nc(-c4ccccc4C(F)(F)F)c3n(C)c2=O)c(OC)c1 ZINC000026005456 561765538 /nfs/dbraw/zinc/76/55/38/561765538.db2.gz BKXXSZPXLVGDRK-UHFFFAOYSA-N 0 0 523.309 4.893 1 0 KJAFRN COc1cc(Br)c(-n2c(=O)[nH]c3c2nc(C)nc3-c2ccccc2C(F)(F)F)c(OC)c1 ZINC000026006845 561765608 /nfs/dbraw/zinc/76/56/08/561765608.db2.gz FNFWALVJZBSLDZ-UHFFFAOYSA-N 0 0 509.282 4.883 1 0 KJAFRN CC(C)(C)C(=O)Oc1ccc(C(=O)OCc2cc(=O)c(OC(=O)C(C)(C)C)co2)c(OC(=O)C(C)(C)C)c1 ZINC000026006931 561765641 /nfs/dbraw/zinc/76/56/41/561765641.db2.gz GJIUOAJONOOFSO-UHFFFAOYSA-N 0 0 530.570 4.851 1 0 KJAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSc1ccc(C(F)(F)F)cc1)NS(C)(=O)=O ZINC000026015793 561766231 /nfs/dbraw/zinc/76/62/31/561766231.db2.gz OGBJBZVZMBRXKU-HZFUHODCSA-N 0 0 665.800 4.575 1 0 KJAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSc1ccc2ccccc2c1)NS(C)(=O)=O ZINC000026016085 561766333 /nfs/dbraw/zinc/76/63/33/561766333.db2.gz IJXPYUZGNUBLOW-OWHBQTKESA-N 0 0 647.863 4.709 1 0 KJAFRN CC(=O)N[C@@H](CSc1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000026016215 561766344 /nfs/dbraw/zinc/76/63/44/561766344.db2.gz FGEJZONGXLJECE-RWSKJCERSA-N 0 0 612.796 4.691 1 0 KJAFRN CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSc1cccc2ccccc21)NS(C)(=O)=O ZINC000026016550 561766338 /nfs/dbraw/zinc/76/63/38/561766338.db2.gz NHPOVBOSIAASCU-RWSKJCERSA-N 0 0 647.863 4.709 1 0 KJAFRN CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026017003 561766365 /nfs/dbraw/zinc/76/63/65/561766365.db2.gz MQIPGYPHWSTWGE-HSZRJFAPSA-N 0 0 529.515 4.536 1 0 KJAFRN CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026017010 561766335 /nfs/dbraw/zinc/76/63/35/561766335.db2.gz MQIPGYPHWSTWGE-QHCPKHFHSA-N 0 0 529.515 4.536 1 0 KJAFRN CC(=O)SC[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)[C@H](C)c1ccccc1 ZINC000026017526 561766459 /nfs/dbraw/zinc/76/64/59/561766459.db2.gz KYMNRIGXGNKART-UIFDUCBYSA-N 0 0 505.636 4.863 1 0 KJAFRN CC(=O)SC[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)[C@@H](C)c1ccccc1 ZINC000026017529 561766428 /nfs/dbraw/zinc/76/64/28/561766428.db2.gz KYMNRIGXGNKART-BAURHKQJSA-N 0 0 505.636 4.863 1 0 KJAFRN CC(=O)SC[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)[C@H](C)c1ccccc1 ZINC000026017536 561766440 /nfs/dbraw/zinc/76/64/40/561766440.db2.gz KYMNRIGXGNKART-PHXCCWLDSA-N 0 0 505.636 4.863 1 0 KJAFRN CC(=O)SC[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)[C@@H](C)c1ccccc1 ZINC000026017543 561766464 /nfs/dbraw/zinc/76/64/64/561766464.db2.gz KYMNRIGXGNKART-RZDWPUGNSA-N 0 0 505.636 4.863 1 0 KJAFRN COc1ccc(-c2nc(SCCCOCCN(CCOCCO)C(=O)NC(C)C)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000026017924 561766475 /nfs/dbraw/zinc/76/64/75/561766475.db2.gz CBGAKXALIFHFDJ-UHFFFAOYSA-N 0 0 586.755 4.689 1 0 KJAFRN CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(Cl)cc1)C(=O)C(F)(F)F ZINC000026018317 561766531 /nfs/dbraw/zinc/76/65/31/561766531.db2.gz BWJZDTRRFNOXNA-OAQYLSRUSA-N 0 0 564.948 4.585 1 0 KJAFRN CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(Cl)cc1)C(=O)C(F)(F)F ZINC000026018324 561766549 /nfs/dbraw/zinc/76/65/49/561766549.db2.gz BWJZDTRRFNOXNA-NRFANRHFSA-N 0 0 564.948 4.585 1 0 KJAFRN CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(C(F)(F)F)cc1)C(=O)C(F)(F)F ZINC000026018520 561766542 /nfs/dbraw/zinc/76/65/42/561766542.db2.gz BHXHUZIFTUJOOO-OAQYLSRUSA-N 0 0 598.500 4.950 1 0 KJAFRN CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(C(F)(F)F)cc1)C(=O)C(F)(F)F ZINC000026018527 561766540 /nfs/dbraw/zinc/76/65/40/561766540.db2.gz BHXHUZIFTUJOOO-NRFANRHFSA-N 0 0 598.500 4.950 1 0 KJAFRN CC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC)N(Cc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)C(=O)N1Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 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561767419 /nfs/dbraw/zinc/76/74/19/561767419.db2.gz ALRIPXLHDVNKNQ-KQNOGYIUSA-N 0 0 558.716 4.966 1 0 KJAFRN O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148892 561767414 /nfs/dbraw/zinc/76/74/14/561767414.db2.gz ALRIPXLHDVNKNQ-WRLPWDPSSA-N 0 0 558.716 4.966 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148902 561767443 /nfs/dbraw/zinc/76/74/43/561767443.db2.gz ALRIPXLHDVNKNQ-ZGEPZAOYSA-N 0 0 558.716 4.966 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148909 561767437 /nfs/dbraw/zinc/76/74/37/561767437.db2.gz ALRIPXLHDVNKNQ-FQYYSGHWSA-N 0 0 558.716 4.966 1 0 KJAFRN COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4cccnc4)[C@@H](OC(=O)c4cccnc4)[C@H]3OC(=O)c3cccnc3)c(Cl)c2c1 ZINC000026149985 561767531 /nfs/dbraw/zinc/76/75/31/561767531.db2.gz IZYJNDUTVLHEBV-BNXUFIDZSA-N 0 0 695.088 4.946 1 0 KJAFRN 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/nfs/dbraw/zinc/76/84/59/561768459.db2.gz MFNQYKSTTNQZCY-IEAFHPEVSA-N 0 0 546.705 4.799 1 0 KJAFRN O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026159681 561768475 /nfs/dbraw/zinc/76/84/75/561768475.db2.gz MFNQYKSTTNQZCY-RKJAVHAZSA-N 0 0 546.705 4.799 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026159693 561768498 /nfs/dbraw/zinc/76/84/98/561768498.db2.gz MFNQYKSTTNQZCY-OBBCHVIHSA-N 0 0 546.705 4.799 1 0 KJAFRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CC(=O)Nc2ccccc2[C@@H]1CN1CCOCC1 ZINC000026159914 561768464 /nfs/dbraw/zinc/76/84/64/561768464.db2.gz ZTFCBHUUTZJZIB-NRFANRHFSA-N 0 0 544.496 4.604 1 0 KJAFRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CC(=O)Nc2ccccc2[C@H]1CN1CCOCC1 ZINC000026159922 561768488 /nfs/dbraw/zinc/76/84/88/561768488.db2.gz ZTFCBHUUTZJZIB-OAQYLSRUSA-N 0 0 544.496 4.604 1 0 KJAFRN O=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CS[C@@H](c2cccnc2)N1 ZINC000026160431 561768573 /nfs/dbraw/zinc/76/85/73/561768573.db2.gz WFKNYXXKGGWBAY-LSYYVWMOSA-N 0 0 528.634 4.502 1 0 KJAFRN O=C(c1cn(C(=O)N2CCOCC2)c2cc(OCc3ccccc3)ccc12)[C@@H]1CS[C@H](c2cccnc2)N1 ZINC000026160440 561768547 /nfs/dbraw/zinc/76/85/47/561768547.db2.gz WFKNYXXKGGWBAY-LBNVMWSVSA-N 0 0 528.634 4.502 1 0 KJAFRN Cc1cccc(C)c1OC[C@@H](O)CN1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026161424 561768719 /nfs/dbraw/zinc/76/87/19/561768719.db2.gz VFYCGVBGJYLYRZ-WUFINQPMSA-N 0 0 555.641 4.737 1 0 KJAFRN Cc1cccc(C)c1OC[C@H](O)CN1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026161432 561768693 /nfs/dbraw/zinc/76/86/93/561768693.db2.gz VFYCGVBGJYLYRZ-VSGBNLITSA-N 0 0 555.641 4.737 1 0 KJAFRN Cc1cccc(C)c1OC[C@@H](O)CN1CCN([C@H](C(=O)NCc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026161439 561768673 /nfs/dbraw/zinc/76/86/73/561768673.db2.gz VFYCGVBGJYLYRZ-NSOVKSMOSA-N 0 0 555.641 4.737 1 0 KJAFRN Cc1cccc(C)c1OC[C@H](O)CN1CCN([C@H](C(=O)NCc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026161447 561768656 /nfs/dbraw/zinc/76/86/56/561768656.db2.gz VFYCGVBGJYLYRZ-IZLXSDGUSA-N 0 0 555.641 4.737 1 0 KJAFRN COc1ccc(CNC(=O)[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026163445 561768844 /nfs/dbraw/zinc/76/88/44/561768844.db2.gz KZUBHQMYQWICFW-PXJZQJOASA-N 0 0 585.667 4.746 1 0 KJAFRN COc1ccc(CNC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026163453 561768805 /nfs/dbraw/zinc/76/88/05/561768805.db2.gz KZUBHQMYQWICFW-XRKRLSELSA-N 0 0 585.667 4.746 1 0 KJAFRN COc1ccc(CNC(=O)[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026163459 561768827 /nfs/dbraw/zinc/76/88/27/561768827.db2.gz KZUBHQMYQWICFW-YTMVLYRLSA-N 0 0 585.667 4.746 1 0 KJAFRN COc1ccc(CNC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026163467 561768813 /nfs/dbraw/zinc/76/88/13/561768813.db2.gz KZUBHQMYQWICFW-LMSSTIIKSA-N 0 0 585.667 4.746 1 0 KJAFRN O=S(=O)(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000026165359 561769090 /nfs/dbraw/zinc/76/90/90/561769090.db2.gz DFSRXCJDESMUAU-BVAGGSTKSA-N 0 0 616.077 4.575 1 0 KJAFRN O=S(=O)(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C[C@H](O)COc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000026165364 561769033 /nfs/dbraw/zinc/76/90/33/561769033.db2.gz DFSRXCJDESMUAU-OZXSUGGESA-N 0 0 616.077 4.575 1 0 KJAFRN O=S(=O)(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000026165370 561769104 /nfs/dbraw/zinc/76/91/04/561769104.db2.gz DFSRXCJDESMUAU-ZEQKJWHPSA-N 0 0 616.077 4.575 1 0 KJAFRN O=S(=O)(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C[C@H](O)COc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000026165375 561769069 /nfs/dbraw/zinc/76/90/69/561769069.db2.gz DFSRXCJDESMUAU-JYFHCDHNSA-N 0 0 616.077 4.575 1 0 KJAFRN O=C1N(Cc2cccc(-c3cn[nH]n3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(-c2cn[nH]n2)c1 ZINC000026165871 561769206 /nfs/dbraw/zinc/76/92/06/561769206.db2.gz RDGHXKOZJGWPHA-NWJWHWDBSA-N 0 0 640.748 4.639 1 0 KJAFRN COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]3OC(=O)C(C)C)c(Cl)c2c1 ZINC000026166519 561769334 /nfs/dbraw/zinc/76/93/34/561769334.db2.gz CUSJCYKLHCFALE-UCRVAIAZSA-N 0 0 590.073 4.787 1 0 KJAFRN Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026167312 561769291 /nfs/dbraw/zinc/76/92/91/561769291.db2.gz CGHOWGJLDMCVSF-LEAFIULHSA-N 0 0 656.565 4.853 1 0 KJAFRN Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026167318 561769329 /nfs/dbraw/zinc/76/93/29/561769329.db2.gz CGHOWGJLDMCVSF-NAKRPHOHSA-N 0 0 656.565 4.853 1 0 KJAFRN Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026167324 561769315 /nfs/dbraw/zinc/76/93/15/561769315.db2.gz CGHOWGJLDMCVSF-LBNVMWSVSA-N 0 0 656.565 4.853 1 0 KJAFRN Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000026167329 561769320 /nfs/dbraw/zinc/76/93/20/561769320.db2.gz CGHOWGJLDMCVSF-LSYYVWMOSA-N 0 0 656.565 4.853 1 0 KJAFRN COc1ccc(C2=NN(CCCCC(=O)Nc3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC ZINC000026167444 561769343 /nfs/dbraw/zinc/76/93/43/561769343.db2.gz YBCWUCNBLGPSSQ-KSNOWIBYSA-N 0 0 571.678 4.502 1 0 KJAFRN COc1ccc(C2=NN(CCCCC(=O)Nc3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC ZINC000026167454 561769301 /nfs/dbraw/zinc/76/93/01/561769301.db2.gz YBCWUCNBLGPSSQ-OPXMRZJTSA-N 0 0 571.678 4.502 1 0 KJAFRN O=C1N(Cc2cccc(-c3nc[nH]n3)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(-c2nc[nH]n2)c1 ZINC000026167582 561769498 /nfs/dbraw/zinc/76/94/98/561769498.db2.gz JJPAWNWDPWKLCQ-WZJLIZBTSA-N 0 0 640.748 4.639 1 0 KJAFRN O=C(NCCN1CCOCC1)c1cccc(CN2C(=O)N(Cc3cccc(-c4cc[nH]n4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000026168571 561769556 /nfs/dbraw/zinc/76/95/56/561769556.db2.gz IOMNHKSPZZFZEP-BHTPUMDESA-N 0 0 728.894 4.521 1 0 KJAFRN O=C1N(Cc2cccc(CO)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(-c2cc[nH]n2)c1 ZINC000026168815 561769571 /nfs/dbraw/zinc/76/95/71/561769571.db2.gz FBVWDPCOHLLXSB-NWJWHWDBSA-N 0 0 602.735 4.951 1 0 KJAFRN CCCCCC[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C ZINC000026169315 561769732 /nfs/dbraw/zinc/76/97/32/561769732.db2.gz WLTRQKQPNCESRC-YJAMSFDDSA-N 0 0 531.782 4.763 1 0 KJAFRN CCCCCC[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C ZINC000026169319 561769724 /nfs/dbraw/zinc/76/97/24/561769724.db2.gz WLTRQKQPNCESRC-DZXSPZCNSA-N 0 0 531.782 4.763 1 0 KJAFRN CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000026169450 561769720 /nfs/dbraw/zinc/76/97/20/561769720.db2.gz VTWBFMFJUOTCOL-NDEPHWFRSA-N 0 0 566.743 4.894 1 0 KJAFRN COc1cc(C(=O)N(C)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000026170258 561769910 /nfs/dbraw/zinc/76/99/10/561769910.db2.gz ZBRLFBGHMZDCPP-HSZRJFAPSA-N 0 0 566.054 4.708 1 0 KJAFRN CCCc1cc(=O)n(CCNC(=O)C(c2ccccc2)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026170656 561769922 /nfs/dbraw/zinc/76/99/22/561769922.db2.gz LAZZBSKATUJZMR-UHFFFAOYSA-N 0 0 625.733 4.806 1 0 KJAFRN CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000026171284 561769985 /nfs/dbraw/zinc/76/99/85/561769985.db2.gz VTWBFMFJUOTCOL-MUUNZHRXSA-N 0 0 566.743 4.894 1 0 KJAFRN CN(C(=O)CN1CCOCC1)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Br)c2)o1 ZINC000026171940 561769969 /nfs/dbraw/zinc/76/99/69/561769969.db2.gz KOVBAALTPGITMI-UHFFFAOYSA-N 0 0 538.402 4.798 1 0 KJAFRN CCCCCC[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000026172550 561770300 /nfs/dbraw/zinc/77/03/00/561770300.db2.gz WXXYDNBBYJAJES-XUJYPJAKSA-N 0 0 533.754 4.940 1 0 KJAFRN CCCCCC[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000026172554 561770275 /nfs/dbraw/zinc/77/02/75/561770275.db2.gz WXXYDNBBYJAJES-FWEHEUNISA-N 0 0 533.754 4.940 1 0 KJAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000026173091 561770401 /nfs/dbraw/zinc/77/04/01/561770401.db2.gz SGEAZNFLKCMAQJ-ZEJHZYDXSA-N 0 0 558.760 4.921 1 0 KJAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@@H](O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000026173428 561770400 /nfs/dbraw/zinc/77/04/00/561770400.db2.gz ZFJRBBBQGHSIPU-NEOPOEGOSA-N 0 0 560.776 4.713 1 0 KJAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@H](O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000026173433 561770489 /nfs/dbraw/zinc/77/04/89/561770489.db2.gz ZFJRBBBQGHSIPU-LOLMJFKOSA-N 0 0 560.776 4.713 1 0 KJAFRN O=C(NC[C@@H](c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000026173453 561770540 /nfs/dbraw/zinc/77/05/40/561770540.db2.gz LZRJWFJEAUSNDC-VPUSJEBWSA-N 0 0 562.032 4.887 1 0 KJAFRN O=C(NC[C@@H](c1ccccc1)N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000026173458 561770544 /nfs/dbraw/zinc/77/05/44/561770544.db2.gz LZRJWFJEAUSNDC-BDYUSTAISA-N 0 0 562.032 4.887 1 0 KJAFRN O=C(NC[C@H](c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000026173463 561770517 /nfs/dbraw/zinc/77/05/17/561770517.db2.gz LZRJWFJEAUSNDC-XNMGPUDCSA-N 0 0 562.032 4.887 1 0 KJAFRN O=C(NC[C@H](c1ccccc1)N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000026173467 561770499 /nfs/dbraw/zinc/77/04/99/561770499.db2.gz LZRJWFJEAUSNDC-AHKZPQOWSA-N 0 0 562.032 4.887 1 0 KJAFRN CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)N(C)C)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000026173602 561770529 /nfs/dbraw/zinc/77/05/29/561770529.db2.gz KCWUOFPRIMHUCX-NRFANRHFSA-N 0 0 551.703 4.795 1 0 KJAFRN CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)N(C)C)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000026173607 561770511 /nfs/dbraw/zinc/77/05/11/561770511.db2.gz KCWUOFPRIMHUCX-OAQYLSRUSA-N 0 0 551.703 4.795 1 0 KJAFRN CCCCc1cc(=O)n2nc(-c3ccccc3)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026177742 561771082 /nfs/dbraw/zinc/77/10/82/561771082.db2.gz NYRQQEFQBCBNOY-UHFFFAOYSA-N 0 0 502.582 4.796 1 0 KJAFRN CCOc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000026179126 561771305 /nfs/dbraw/zinc/77/13/05/561771305.db2.gz MMLXJDVPKNROEJ-XMBNWINWSA-N 0 0 736.910 4.748 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ccccn1 ZINC000026180981 561771755 /nfs/dbraw/zinc/77/17/55/561771755.db2.gz BVZQIUZSCHYLLR-KRCBVYEFSA-N 0 0 664.873 4.576 1 0 KJAFRN COc1ccc(CN[C@@H](C(=O)N[C@@H](C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026181234 561771702 /nfs/dbraw/zinc/77/17/02/561771702.db2.gz LLVJVNVNDLXYES-SJSGBSKDSA-N 0 0 706.844 4.701 1 0 KJAFRN COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000026181239 561771743 /nfs/dbraw/zinc/77/17/43/561771743.db2.gz LLVJVNVNDLXYES-HRVOSISDSA-N 0 0 706.844 4.701 1 0 KJAFRN COc1cc(C(=O)Nc2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000026184482 561772245 /nfs/dbraw/zinc/77/22/45/561772245.db2.gz QWTXWQVVUIMNOD-JOCHJYFZSA-N 0 0 552.027 4.684 1 0 KJAFRN COc1cc(C(=O)Nc2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000026184486 561772296 /nfs/dbraw/zinc/77/22/96/561772296.db2.gz QWTXWQVVUIMNOD-QFIPXVFZSA-N 0 0 552.027 4.684 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2cc(Cl)ccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 ZINC000026184595 561772263 /nfs/dbraw/zinc/77/22/63/561772263.db2.gz YRSXYODGNPADGG-RMZANEDDSA-N 0 0 623.153 4.946 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2cc(Cl)ccc2c1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 ZINC000026184600 561772405 /nfs/dbraw/zinc/77/24/05/561772405.db2.gz YRSXYODGNPADGG-INJYMACJSA-N 0 0 623.153 4.946 1 0 KJAFRN O=C1N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2-c2ccccc21 ZINC000026185147 561772526 /nfs/dbraw/zinc/77/25/26/561772526.db2.gz GLPZEDCPNIGVJV-VEEOACQBSA-N 0 0 529.640 4.905 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CSC1CCCCC1 ZINC000026185596 561772481 /nfs/dbraw/zinc/77/24/81/561772481.db2.gz HMCAWJFMGDIQPA-YDPTYEFTSA-N 0 0 663.885 4.727 1 0 KJAFRN Cc1ccc2cc(C[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)c3cn(C)c4ccccc34)C(=O)N(C)Cc3ccccc3)ccc2c1 ZINC000026186742 561772789 /nfs/dbraw/zinc/77/27/89/561772789.db2.gz AGDACNVYIDABFF-WNPNTJLQSA-N 0 0 602.735 4.601 1 0 KJAFRN Cc1ccc2cc(C[C@@H](NC(=O)[C@H]3C[C@@H](O)CN3C(=O)c3cn(C)c4ccccc34)C(=O)N(C)Cc3ccccc3)ccc2c1 ZINC000026186747 561772756 /nfs/dbraw/zinc/77/27/56/561772756.db2.gz AGDACNVYIDABFF-ZYEHPWHCSA-N 0 0 602.735 4.601 1 0 KJAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc2ccccc2c1)C(C)C ZINC000026186806 561772784 /nfs/dbraw/zinc/77/27/84/561772784.db2.gz IMEXFJHTHFZXSS-KOILXBFDSA-N 0 0 704.868 4.646 1 0 KJAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1CC(=O)c1ccc2ccccc2c1)C(C)C ZINC000026186811 561772796 /nfs/dbraw/zinc/77/27/96/561772796.db2.gz IMEXFJHTHFZXSS-JJDNZUIESA-N 0 0 704.868 4.646 1 0 KJAFRN CCCOc1ccc(S(=O)(=O)N2CCC(CP(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026188113 561773001 /nfs/dbraw/zinc/77/30/01/561773001.db2.gz HKEDQPUAYCEXFZ-UHFFFAOYSA-N 0 0 623.713 4.732 1 0 KJAFRN O=C(N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)Cc1ccccc1)C(c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000026188610 561773038 /nfs/dbraw/zinc/77/30/38/561773038.db2.gz UWUYLJZOEXJHBA-VDCPHJTRSA-N 0 0 605.735 4.824 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ncc2ccccn21 ZINC000026247480 561773403 /nfs/dbraw/zinc/77/34/03/561773403.db2.gz GVHJABRMLWSFPD-YDPTYEFTSA-N 0 0 703.910 4.829 1 0 KJAFRN COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1occ3ccccc31)CC2=O ZINC000026248438 561773566 /nfs/dbraw/zinc/77/35/66/561773566.db2.gz LRTCWEGBFCBOJK-ZGOJTZKKSA-N 0 0 575.706 4.880 1 0 KJAFRN COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1occ3ccccc31)CC2=O ZINC000026248446 561773782 /nfs/dbraw/zinc/77/37/82/561773782.db2.gz LRTCWEGBFCBOJK-OFEZKSIWSA-N 0 0 575.706 4.880 1 0 KJAFRN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1cccnc1 ZINC000026250564 561774127 /nfs/dbraw/zinc/77/41/27/561774127.db2.gz ZDRYUNURXIELMP-VMPREFPWSA-N 0 0 558.723 4.790 1 0 KJAFRN COc1cccc(C(=O)CN2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/I)C(C)C)c1 ZINC000026253395 561774352 /nfs/dbraw/zinc/77/43/52/561774352.db2.gz OFNOAOHXGRNPEH-OYJRDERXSA-N 0 0 631.555 4.549 1 0 KJAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/I)C(C)C)c1 ZINC000026253400 561774374 /nfs/dbraw/zinc/77/43/74/561774374.db2.gz OFNOAOHXGRNPEH-HPUHACPFSA-N 0 0 631.555 4.549 1 0 KJAFRN COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000026253670 561774569 /nfs/dbraw/zinc/77/45/69/561774569.db2.gz CIMMJVSHVBVYQE-USCONSEESA-N 0 0 625.635 4.829 1 0 KJAFRN COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000026253677 561774555 /nfs/dbraw/zinc/77/45/55/561774555.db2.gz CIMMJVSHVBVYQE-HVETUWLQSA-N 0 0 625.635 4.829 1 0 KJAFRN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254937 561774685 /nfs/dbraw/zinc/77/46/85/561774685.db2.gz STFHCRUNLPKGNS-BKJGBRIOSA-N 0 0 614.688 4.959 1 0 KJAFRN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000026254951 561774699 /nfs/dbraw/zinc/77/46/99/561774699.db2.gz STFHCRUNLPKGNS-MHMTURBSSA-N 0 0 614.688 4.959 1 0 KJAFRN C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3c(F)cccc3F)CC2)C[C@@H]1C ZINC000026255071 561774744 /nfs/dbraw/zinc/77/47/44/561774744.db2.gz VSAYPYFFICXMGV-VXKWHMMOSA-N 0 0 611.711 4.898 1 0 KJAFRN CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000026258814 561775317 /nfs/dbraw/zinc/77/53/17/561775317.db2.gz BARDCNRBSZCRHT-IUJFHHLOSA-N 0 0 715.954 4.852 1 0 KJAFRN Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000026259219 561775339 /nfs/dbraw/zinc/77/53/39/561775339.db2.gz DSYMOXJOJWZVRV-VWLOTQADSA-N 0 0 589.758 4.848 1 0 KJAFRN CC1(C)CC([C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)C(N)=O)CC(C)(C)C1 ZINC000026259814 561775482 /nfs/dbraw/zinc/77/54/82/561775482.db2.gz HUDRRRXMAQJHRU-LNBJVWSJSA-N 0 0 516.686 4.676 1 0 KJAFRN CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(C)(C)C ZINC000026261901 561775659 /nfs/dbraw/zinc/77/56/59/561775659.db2.gz VGAVLLKXJGUABN-MRBLKTHGSA-N 0 0 659.872 4.551 1 0 KJAFRN COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCC1CCCCC1)CC2=O ZINC000026263450 561775956 /nfs/dbraw/zinc/77/59/56/561775956.db2.gz NLBNLELPGYJXTB-FDJWOJMMSA-N 0 0 541.733 4.514 1 0 KJAFRN COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCC1CCCCC1)CC2=O ZINC000026263458 561775867 /nfs/dbraw/zinc/77/58/67/561775867.db2.gz NLBNLELPGYJXTB-XCRWMPKNSA-N 0 0 541.733 4.514 1 0 KJAFRN COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCc3ccccc31)CC2=O ZINC000026264606 561776096 /nfs/dbraw/zinc/77/60/96/561776096.db2.gz PNRMSWYBQXILOO-ALMBTRMVSA-N 0 0 561.723 4.621 1 0 KJAFRN COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCc3ccccc31)CC2=O ZINC000026264614 561776097 /nfs/dbraw/zinc/77/60/97/561776097.db2.gz PNRMSWYBQXILOO-GGRYPKIFSA-N 0 0 561.723 4.621 1 0 KJAFRN COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCc3ccccc31)CC2=O ZINC000026264624 561776037 /nfs/dbraw/zinc/77/60/37/561776037.db2.gz PNRMSWYBQXILOO-FQZUIQCPSA-N 0 0 561.723 4.621 1 0 KJAFRN COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCc3ccccc31)CC2=O ZINC000026264632 561776099 /nfs/dbraw/zinc/77/60/99/561776099.db2.gz PNRMSWYBQXILOO-KZNIJNHCSA-N 0 0 561.723 4.621 1 0 KJAFRN CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] ZINC000026264790 561776094 /nfs/dbraw/zinc/77/60/94/561776094.db2.gz LVQUZJFEXPYANX-UHFFFAOYSA-N 0 0 600.716 4.696 1 0 KJAFRN Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026264949 561776220 /nfs/dbraw/zinc/77/62/20/561776220.db2.gz CWYQMJKOOOYTLH-VWLOTQADSA-N 0 0 589.758 4.676 1 0 KJAFRN CCCCc1nn([C@@H](CC(=O)OCC)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026265436 561776198 /nfs/dbraw/zinc/77/61/98/561776198.db2.gz HPXVKCMIUUXJFU-MHZLTWQESA-N 0 0 579.661 4.660 1 0 KJAFRN CCCCc1nn([C@H](CC(=O)OCC)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026265443 561776167 /nfs/dbraw/zinc/77/61/67/561776167.db2.gz HPXVKCMIUUXJFU-HHHXNRCGSA-N 0 0 579.661 4.660 1 0 KJAFRN CCCCc1nn(C[C@@H](OCC(=O)OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026266055 561776365 /nfs/dbraw/zinc/77/63/65/561776365.db2.gz HQGRCVAXUMMAKB-MUUNZHRXSA-N 0 0 581.677 4.604 1 0 KJAFRN CCCCc1nn(C[C@H](OCC(=O)OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026266062 561776387 /nfs/dbraw/zinc/77/63/87/561776387.db2.gz HQGRCVAXUMMAKB-NDEPHWFRSA-N 0 0 581.677 4.604 1 0 KJAFRN CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026266666 561776333 /nfs/dbraw/zinc/77/63/33/561776333.db2.gz TUCQUFFLZSJMIG-DZUOILHNSA-N 0 0 629.868 4.531 1 0 KJAFRN COc1cc(OC2CCN(Cc3ccc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026266682 561776350 /nfs/dbraw/zinc/77/63/50/561776350.db2.gz XPBLYKQSZGYHMD-UHFFFAOYSA-N 0 0 600.716 4.750 1 0 KJAFRN CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026268736 561776633 /nfs/dbraw/zinc/77/66/33/561776633.db2.gz PMGSGSRYNICBHS-PZYJALBSSA-N 0 0 563.805 4.585 1 0 KJAFRN CC(C)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026269396 561776848 /nfs/dbraw/zinc/77/68/48/561776848.db2.gz RWOYVLPPDFJQSW-KRCBVYEFSA-N 0 0 643.895 4.778 1 0 KJAFRN C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000026271107 561777304 /nfs/dbraw/zinc/77/73/04/561777304.db2.gz SWXHHKZYRFCOPH-VXKWHMMOSA-N 0 0 625.191 4.856 1 0 KJAFRN COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NC1C3CC4CC(C3)CC1C4)CC2=O ZINC000026271718 561777320 /nfs/dbraw/zinc/77/73/20/561777320.db2.gz YSRCBPFOEMMSKY-PKRFKXHDSA-N 0 0 579.782 4.758 1 0 KJAFRN COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NC1C3CC4CC(C3)CC1C4)CC2=O ZINC000026271724 561777277 /nfs/dbraw/zinc/77/72/77/561777277.db2.gz YSRCBPFOEMMSKY-WMFICCQKSA-N 0 0 579.782 4.758 1 0 KJAFRN COc1cc(OC2CCN(Cc3c[n+]([O-])c(C)cc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026273191 561777578 /nfs/dbraw/zinc/77/75/78/561777578.db2.gz VEFMZOCSBCFHBJ-UHFFFAOYSA-N 0 0 600.716 4.750 1 0 KJAFRN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccco1 ZINC000026273789 561777713 /nfs/dbraw/zinc/77/77/13/561777713.db2.gz HNLWVKWKZHYCFP-NSOVKSMOSA-N 0 0 547.696 4.988 1 0 KJAFRN COc1cc(OC2CCN([C@@H]3CCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026274786 561778105 /nfs/dbraw/zinc/77/81/05/561778105.db2.gz BPKAODVGZHYQQN-GDLZYMKVSA-N 0 0 616.690 4.760 1 0 KJAFRN 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ZINC000026281644 561779177 /nfs/dbraw/zinc/77/91/77/561779177.db2.gz WGXJHFJKJUSPCF-UHFFFAOYSA-N 0 0 604.679 4.581 1 0 KJAFRN COc1cc(N[C@@H]2c3c4ccccc4[nH]c3[C@@H](c3cc(OC)c(O)c(OC)c3)N3C(=O)OC[C@H]23)cc(OC)c1O ZINC000026282017 561779123 /nfs/dbraw/zinc/77/91/23/561779123.db2.gz FWOOVLLSIIGEAT-VLGQDORFSA-N 0 0 547.564 4.691 1 0 KJAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1-c1ccc(N(C)C)cc1 ZINC000026285215 561779851 /nfs/dbraw/zinc/77/98/51/561779851.db2.gz OVUQYBVVSDUBSH-UHFFFAOYSA-N 0 0 548.592 4.553 1 0 KJAFRN CNc1ccc(-n2c(=O)c3cc(OC)c(OC)cc3c(-c3cc(OC)c(OC)c(OC)c3)c2C(=O)OC)cc1 ZINC000026286650 561779885 /nfs/dbraw/zinc/77/98/85/561779885.db2.gz AREIFZORRGASMW-UHFFFAOYSA-N 0 0 534.565 4.529 1 0 KJAFRN COC(=O)c1ccc(N[C@@H]2c3c4ccccc4[nH]c3[C@@H](c3cc(OC)c(O)c(OC)c3)N3C(=O)OC[C@H]23)cc1 ZINC000026287748 561780073 /nfs/dbraw/zinc/78/00/73/561780073.db2.gz GSTPBJZFAVFXBO-UGIARPQZSA-N 0 0 529.549 4.754 1 0 KJAFRN CCN(CC)C1=NS(=O)(=O)C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)=C1c1ccc(OC)cc1 ZINC000026287947 561780082 /nfs/dbraw/zinc/78/00/82/561780082.db2.gz CXPBJXDRMBXONE-UHFFFAOYSA-N 0 0 549.674 4.839 1 0 KJAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)cc1 ZINC000026288566 561780226 /nfs/dbraw/zinc/78/02/26/561780226.db2.gz UKOYDIULRIOVQF-UHFFFAOYSA-N 0 0 532.253 4.930 1 0 KJAFRN CCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000026291365 561780586 /nfs/dbraw/zinc/78/05/86/561780586.db2.gz YJZYPOYHHWWHAC-UHFFFAOYSA-N 0 0 569.637 4.605 1 0 KJAFRN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026291648 561780610 /nfs/dbraw/zinc/78/06/10/561780610.db2.gz SXAQPWCQXJRDTE-FDDCHVKYSA-N 0 0 557.430 4.762 1 0 KJAFRN Cc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(C)c3)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)c1 ZINC000026293181 561780901 /nfs/dbraw/zinc/78/09/01/561780901.db2.gz NIGQODFLJMCYDF-WZJLIZBTSA-N 0 0 644.780 4.603 1 0 KJAFRN C[C@@H](c1ccccc1)N1C(=O)C[C@@H]2[C@@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O ZINC000026296139 561781468 /nfs/dbraw/zinc/78/14/68/561781468.db2.gz HAHDIJYZOQGECB-GIIILEAUSA-N 0 0 573.694 4.666 1 0 KJAFRN Cc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(C)cc3)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)cc1 ZINC000026375638 561781811 /nfs/dbraw/zinc/78/18/11/561781811.db2.gz GWGPTSIQUUQYEQ-WZJLIZBTSA-N 0 0 644.780 4.603 1 0 KJAFRN CC(=O)NC1(c2ccccc2)CCN(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)Cc2ccccc2)CC1 ZINC000026376756 561782256 /nfs/dbraw/zinc/78/22/56/561782256.db2.gz NWNXAOPJFFMSJS-PMERELPUSA-N 0 0 551.691 4.575 1 0 KJAFRN CCCCCCc1ccc(-c2ccc(C(=O)N3CCN(C(=O)N4C(=O)[C@H](CC5CC[NH2+]CC5)[C@H]4C(=O)[O-])CC3)cc2)cc1 ZINC000026376892 561782246 /nfs/dbraw/zinc/78/22/46/561782246.db2.gz DMJCCJIRQUBORK-IHLOFXLRSA-N 0 0 588.749 4.656 1 0 KJAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)[C@@H](c2ccc(F)cc2)[C@@H](O)c2ccc(F)c(F)c2)C1=O ZINC000026376919 561782243 /nfs/dbraw/zinc/78/22/43/561782243.db2.gz NZIYGPKGJPHCKS-PIZZNKLWSA-N 0 0 543.545 4.877 1 0 KJAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)[C@@H](c2ccc(F)cc2)[C@H](O)c2ccc(F)c(F)c2)C1=O ZINC000026376922 561782261 /nfs/dbraw/zinc/78/22/61/561782261.db2.gz NZIYGPKGJPHCKS-WIIGKZCBSA-N 0 0 543.545 4.877 1 0 KJAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)[C@H](c2ccc(F)cc2)[C@@H](O)c2ccc(F)c(F)c2)C1=O ZINC000026377271 561782345 /nfs/dbraw/zinc/78/23/45/561782345.db2.gz NZIYGPKGJPHCKS-XNFLFYSQSA-N 0 0 543.545 4.877 1 0 KJAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000026377939 561782609 /nfs/dbraw/zinc/78/26/09/561782609.db2.gz PRLCTKJTMFZULZ-JSLVBRCRSA-N 0 0 569.828 4.680 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O ZINC000026378124 561782700 /nfs/dbraw/zinc/78/27/00/561782700.db2.gz KQQMQTXLAKMJCT-VPUSJEBWSA-N 0 0 537.620 4.536 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O ZINC000026378126 561782698 /nfs/dbraw/zinc/78/26/98/561782698.db2.gz KQQMQTXLAKMJCT-XNMGPUDCSA-N 0 0 537.620 4.536 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O ZINC000026378215 561782692 /nfs/dbraw/zinc/78/26/92/561782692.db2.gz KQQMQTXLAKMJCT-BDYUSTAISA-N 0 0 537.620 4.536 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O ZINC000026378217 561782845 /nfs/dbraw/zinc/78/28/45/561782845.db2.gz KQQMQTXLAKMJCT-AHKZPQOWSA-N 0 0 537.620 4.536 1 0 KJAFRN COc1cc(COC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000026378242 561782868 /nfs/dbraw/zinc/78/28/68/561782868.db2.gz GYFYRBBIFYDJHM-QFIPXVFZSA-N 0 0 550.743 4.523 1 0 KJAFRN COc1cc(COC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000026378243 561782829 /nfs/dbraw/zinc/78/28/29/561782829.db2.gz GYFYRBBIFYDJHM-JOCHJYFZSA-N 0 0 550.743 4.523 1 0 KJAFRN Cc1ccc(C[C@@H](CNC(=S)OCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026380452 561783312 /nfs/dbraw/zinc/78/33/12/561783312.db2.gz BGGGXHNSURQXCK-QFIPXVFZSA-N 0 0 520.717 4.514 1 0 KJAFRN Cc1ccc(C[C@H](CNC(=S)OCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026380454 561783321 /nfs/dbraw/zinc/78/33/21/561783321.db2.gz BGGGXHNSURQXCK-JOCHJYFZSA-N 0 0 520.717 4.514 1 0 KJAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)C1CCCCC1 ZINC000026380469 561783336 /nfs/dbraw/zinc/78/33/36/561783336.db2.gz XEUCNQHLDXXTQV-SKZPZPHBSA-N 0 0 702.856 4.996 1 0 KJAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)C1CCCCC1 ZINC000026380472 561783341 /nfs/dbraw/zinc/78/33/41/561783341.db2.gz XEUCNQHLDXXTQV-ISDBSSCRSA-N 0 0 702.856 4.996 1 0 KJAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)C1CCCCC1 ZINC000026380476 561783348 /nfs/dbraw/zinc/78/33/48/561783348.db2.gz XEUCNQHLDXXTQV-PCJOSXSGSA-N 0 0 702.856 4.996 1 0 KJAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)C1CCCCC1 ZINC000026380479 561783356 /nfs/dbraw/zinc/78/33/56/561783356.db2.gz XEUCNQHLDXXTQV-SBGOSUNPSA-N 0 0 702.856 4.996 1 0 KJAFRN COc1cc2c(cc1OC)[C@@H](Nc1ccc(F)cc1)[C@H]1COC(=O)[C@@H]1[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000026382502 561783610 /nfs/dbraw/zinc/78/36/10/561783610.db2.gz HZUKZDZKIJGDAH-ULBKPHCJSA-N 0 0 523.557 4.957 1 0 KJAFRN COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)OC[C@@H]1[C@H]2Nc1ccc(F)cc1 ZINC000026382506 561783560 /nfs/dbraw/zinc/78/35/60/561783560.db2.gz HZUKZDZKIJGDAH-JYIOINSGSA-N 0 0 523.557 4.957 1 0 KJAFRN CCOC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026383062 561783665 /nfs/dbraw/zinc/78/36/65/561783665.db2.gz TYLAYGSYBANABY-MYHRABSESA-N 0 0 701.687 4.702 1 0 KJAFRN C[C@H](C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)[C@H](OC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000026383140 561783704 /nfs/dbraw/zinc/78/37/04/561783704.db2.gz AKHXNWLSWIPUEB-KVFOXVCZSA-N 0 0 539.419 4.722 1 0 KJAFRN C[C@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026384122 561783868 /nfs/dbraw/zinc/78/38/68/561783868.db2.gz DVCICIFNZVMSHY-IQTJCEKSSA-N 0 0 701.673 4.711 1 0 KJAFRN C[C@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026384126 561783983 /nfs/dbraw/zinc/78/39/83/561783983.db2.gz DVCICIFNZVMSHY-AEPUBHBWSA-N 0 0 701.673 4.711 1 0 KJAFRN Cc1cccc([C@@H](NC(=O)CC[C@H](O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c2cc3ccccc3[nH]2)c1 ZINC000026384154 561783933 /nfs/dbraw/zinc/78/39/33/561783933.db2.gz SDBIVKHSGIGLCQ-RKAWORTDSA-N 0 0 710.835 4.773 1 0 KJAFRN Cc1cccc([C@H](NC(=O)CC[C@H](O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c2cc3ccccc3[nH]2)c1 ZINC000026384158 561783991 /nfs/dbraw/zinc/78/39/91/561783991.db2.gz SDBIVKHSGIGLCQ-CWUMMKOTSA-N 0 0 710.835 4.773 1 0 KJAFRN Cc1cccc([C@@H](NC(=O)CC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c2cc3ccccc3[nH]2)c1 ZINC000026384163 561783936 /nfs/dbraw/zinc/78/39/36/561783936.db2.gz SDBIVKHSGIGLCQ-FVWHUWSRSA-N 0 0 710.835 4.773 1 0 KJAFRN Cc1cccc([C@H](NC(=O)CC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)c2cc3ccccc3[nH]2)c1 ZINC000026384167 561784024 /nfs/dbraw/zinc/78/40/24/561784024.db2.gz SDBIVKHSGIGLCQ-WDSXCPAJSA-N 0 0 710.835 4.773 1 0 KJAFRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000026384487 561783959 /nfs/dbraw/zinc/78/39/59/561783959.db2.gz MCXLHWGFQPBEPP-UIOOFZCWSA-N 0 0 590.856 4.880 1 0 KJAFRN CCOC(=O)c1ccc(N[C@H]2c3cc(OC)c(OC)cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)cc1 ZINC000026384525 561783957 /nfs/dbraw/zinc/78/39/57/561783957.db2.gz BWOFWMGBPOUISW-RGVCCXDYSA-N 0 0 563.603 4.691 1 0 KJAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026384624 561784123 /nfs/dbraw/zinc/78/41/23/561784123.db2.gz OSLWIMPJHZHRNB-VFFRCKCKSA-N 0 0 603.845 4.876 1 0 KJAFRN CCOC(=O)c1ccc(N[C@H]2c3cc(OC)c(OC)cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)cc1 ZINC000026384740 561784132 /nfs/dbraw/zinc/78/41/32/561784132.db2.gz JQTPENIUAKYRTH-MHXSTTJDSA-N 0 0 577.630 4.994 1 0 KJAFRN CCOC(=O)c1ccc(N[C@@H]2c3cc(OC)c(OC)cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)cc1 ZINC000026384744 561784104 /nfs/dbraw/zinc/78/41/04/561784104.db2.gz JQTPENIUAKYRTH-ALMBTRMVSA-N 0 0 577.630 4.994 1 0 KJAFRN COc1cc([C@@H]2c3cc(OC)c(OC)cc3[C@H](Nc3ccc(F)cc3)[C@H]3COC(=O)[C@@H]32)cc(OC)c1O ZINC000026386541 561784599 /nfs/dbraw/zinc/78/45/99/561784599.db2.gz CSADSJIFHRWKJO-JYVYKJRCSA-N 0 0 509.530 4.654 1 0 KJAFRN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000026387619 561784798 /nfs/dbraw/zinc/78/47/98/561784798.db2.gz BLFUASLRZDWGFS-MNARXWEYSA-N 0 0 753.993 4.787 1 0 KJAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(NCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1 ZINC000026388439 561785114 /nfs/dbraw/zinc/78/51/14/561785114.db2.gz UPLRGVQPKVXGDU-UHFFFAOYSA-N 0 0 581.629 4.635 1 0 KJAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)[C@@H](c1ccc(F)cc1)[C@H](CO)c1ccc(F)c(F)c1 ZINC000026388615 561785116 /nfs/dbraw/zinc/78/51/16/561785116.db2.gz JFRCHOZGXWZLOQ-FNHKZSGOSA-N 0 0 543.545 4.896 1 0 KJAFRN CC(=O)OCc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026388768 561785167 /nfs/dbraw/zinc/78/51/67/561785167.db2.gz ZUQUAVHGVIGAMF-PYISTNOASA-N 0 0 694.730 4.767 1 0 KJAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)[C@@H](c2ccc(F)cc2)[C@H](CO)c2ccc(F)c(F)c2)C1=O ZINC000026388994 561785158 /nfs/dbraw/zinc/78/51/58/561785158.db2.gz UQVZOXIXMAJWBW-SHFQUTHWSA-N 0 0 557.572 4.920 1 0 KJAFRN Cc1ccc(C[C@@H](CNC(=S)OCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000026390904 561785797 /nfs/dbraw/zinc/78/57/97/561785797.db2.gz IVUUGALIHOWUOP-NRFANRHFSA-N 0 0 538.707 4.653 1 0 KJAFRN Cc1ccc(C[C@H](CNC(=S)OCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000026390907 561785813 /nfs/dbraw/zinc/78/58/13/561785813.db2.gz IVUUGALIHOWUOP-OAQYLSRUSA-N 0 0 538.707 4.653 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)Nc3ccc(Cl)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000026391409 561785780 /nfs/dbraw/zinc/78/57/80/561785780.db2.gz NVEMCAXXVIKXBW-LVEBQJTPSA-N 0 0 552.967 4.589 1 0 KJAFRN Cc1ccc(C[C@@H](COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1C ZINC000026391762 561785966 /nfs/dbraw/zinc/78/59/66/561785966.db2.gz NDFWAJBPUCFIPY-HXUWFJFHSA-N 0 0 570.177 4.842 1 0 KJAFRN Cc1ccc(C[C@H](COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1C ZINC000026391766 561785907 /nfs/dbraw/zinc/78/59/07/561785907.db2.gz NDFWAJBPUCFIPY-FQEVSTJZSA-N 0 0 570.177 4.842 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCCCNC(=O)C(C)(C)C)NC(=O)c1c[nH]c2ccccc12 ZINC000026391781 561785917 /nfs/dbraw/zinc/78/59/17/561785917.db2.gz IPGWQHMHMBMEMR-ROJLCIKYSA-N 0 0 623.798 4.985 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)C(C)(C)C)NC(=O)c1c[nH]c2ccccc12 ZINC000026391786 561785928 /nfs/dbraw/zinc/78/59/28/561785928.db2.gz IPGWQHMHMBMEMR-AJQTZOPKSA-N 0 0 623.798 4.985 1 0 KJAFRN CCC[C@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026393609 561786275 /nfs/dbraw/zinc/78/62/75/561786275.db2.gz ZUGBMTDKMBYHLL-CQSKVYEASA-N 0 0 673.917 4.914 1 0 KJAFRN CCC[C@@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026393612 561786312 /nfs/dbraw/zinc/78/63/12/561786312.db2.gz ZUGBMTDKMBYHLL-CZXGLRSTSA-N 0 0 673.917 4.914 1 0 KJAFRN CCCCc1nc2cccc(C(=O)OCCN3CCOCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026395774 561786944 /nfs/dbraw/zinc/78/69/44/561786944.db2.gz SBCPYZKCFVYHGI-UHFFFAOYSA-N 0 0 565.678 4.763 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC1CCCCC1)C(=O)NCc1ccccn1 ZINC000026396595 561787135 /nfs/dbraw/zinc/78/71/35/561787135.db2.gz DVFOMRWKCHJPKR-JTBAOHSFSA-N 0 0 614.872 4.648 1 0 KJAFRN COC(=O)c1ccc(CC[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)cc1 ZINC000026397684 561787569 /nfs/dbraw/zinc/78/75/69/561787569.db2.gz CATBJIHGLQLCIT-FQEVSTJZSA-N 0 0 567.538 4.787 1 0 KJAFRN COC(=O)c1ccc(CC[C@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)cc1 ZINC000026397688 561787502 /nfs/dbraw/zinc/78/75/02/561787502.db2.gz CATBJIHGLQLCIT-HXUWFJFHSA-N 0 0 567.538 4.787 1 0 KJAFRN CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026400384 561788218 /nfs/dbraw/zinc/78/82/18/561788218.db2.gz AGYJKWLACPVLLU-UHFFFAOYSA-N 0 0 552.547 4.542 1 0 KJAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCCc3ccccn3)c2c(=O)n1Cc1ccnc(C)c1 ZINC000026400514 561788226 /nfs/dbraw/zinc/78/82/26/561788226.db2.gz IQLHTXVSILCMMJ-UHFFFAOYSA-N 0 0 596.640 4.644 1 0 KJAFRN CC(C)(C)OC(=O)NC(=O)N(Cc1ccccc1)CC(O)CN(Cc1ccccc1)C(=O)NC(=O)OC(C)(C)C ZINC000026401222 561788358 /nfs/dbraw/zinc/78/83/58/561788358.db2.gz PQRNYUULMZGGEH-UHFFFAOYSA-N 0 0 556.660 4.641 1 0 KJAFRN CCOC(=O)C1=C(COCc2cc(=O)[nH]c(SC)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026402812 561788720 /nfs/dbraw/zinc/78/87/20/561788720.db2.gz DJSAACYNKDAPFT-YFJJEWJYSA-N 0 0 554.452 4.807 1 0 KJAFRN CCOC(=O)C1=C(COCc2cc(=O)[nH]c(SC)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026402814 561788774 /nfs/dbraw/zinc/78/87/74/561788774.db2.gz DJSAACYNKDAPFT-VKQKAZQBSA-N 0 0 554.452 4.807 1 0 KJAFRN CCOC(=O)C1=C(COCc2cc(=O)n(C(C)C)c(N)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026403141 561788872 /nfs/dbraw/zinc/78/88/72/561788872.db2.gz CEUBNMDSUXCCJE-QTANXNOISA-N 0 0 565.454 4.721 1 0 KJAFRN CCOC(=O)C1=C(COCc2cc(=O)n(C(C)C)c(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026403145 561788910 /nfs/dbraw/zinc/78/89/10/561788910.db2.gz CEUBNMDSUXCCJE-MUTZGBHFSA-N 0 0 565.454 4.721 1 0 KJAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCCc3ccccn3)nc2c(=O)n1Cc1ccnc(C)c1 ZINC000026403972 561789176 /nfs/dbraw/zinc/78/91/76/561789176.db2.gz SNAQJABDDAMNLQ-UHFFFAOYSA-N 0 0 596.640 4.644 1 0 KJAFRN CCOc1nc2cccc(C(=O)OCOC(=O)C(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026404392 561789516 /nfs/dbraw/zinc/78/95/16/561789516.db2.gz DTTKGJDJYCPZAU-UHFFFAOYSA-N 0 0 540.580 4.644 1 0 KJAFRN CCOC(=O)C1=C(COCc2cc(=O)n(Cc3ccccn3)c(N)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026404724 561789720 /nfs/dbraw/zinc/78/97/20/561789720.db2.gz KLIUYVJUUVRMPK-HELSZXIZSA-N 0 0 614.486 4.584 1 0 KJAFRN CCOC(=O)C1=C(COCc2cc(=O)n(Cc3ccccn3)c(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026404728 561789660 /nfs/dbraw/zinc/78/96/60/561789660.db2.gz KLIUYVJUUVRMPK-CZSVHLHGSA-N 0 0 614.486 4.584 1 0 KJAFRN O=C(NCCNS(=O)(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl ZINC000026471083 561790529 /nfs/dbraw/zinc/79/05/29/561790529.db2.gz XNYONDFVYBMCFN-NDEPHWFRSA-N 0 0 729.708 4.559 1 0 KJAFRN O=Cc1cccc(-c2ccc(S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(Cl)cccc3Cl)s2)c1 ZINC000026472235 561790643 /nfs/dbraw/zinc/79/06/43/561790643.db2.gz FEGWECWGCMIISJ-DEOSSOPVSA-N 0 0 658.585 4.539 1 0 KJAFRN CCCC(=O)OCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c21 ZINC000026472904 561790674 /nfs/dbraw/zinc/79/06/74/561790674.db2.gz JGRFTJBTMXRQQK-UHFFFAOYSA-N 0 0 540.580 4.788 1 0 KJAFRN Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1-c1cc[nH]n1 ZINC000026475925 561791024 /nfs/dbraw/zinc/79/10/24/561791024.db2.gz DRIQIEGYOOXTGG-NWJWHWDBSA-N 0 0 627.749 4.917 1 0 KJAFRN O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(Cn2cncn2)c1 ZINC000026480142 561791551 /nfs/dbraw/zinc/79/15/51/561791551.db2.gz CZPUBQYAVIVNEX-NWJWHWDBSA-N 0 0 627.749 4.585 1 0 KJAFRN Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1F ZINC000026480942 561791624 /nfs/dbraw/zinc/79/16/24/561791624.db2.gz ZKXPPUAKSSRSJN-FYZVQMPESA-N 0 0 579.676 4.666 1 0 KJAFRN CNc1cccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000026481317 561791780 /nfs/dbraw/zinc/79/17/80/561791780.db2.gz FBTRQCVYUQUHSD-WZJLIZBTSA-N 0 0 575.713 4.987 1 0 KJAFRN Nc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1-n1cccn1 ZINC000026481477 561791796 /nfs/dbraw/zinc/79/17/96/561791796.db2.gz WENSXXFBLAFVRJ-NWJWHWDBSA-N 0 0 627.749 4.713 1 0 KJAFRN Cc1ccc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1N ZINC000026483103 561792000 /nfs/dbraw/zinc/79/20/00/561792000.db2.gz KDXDWVNUODBVJT-WZJLIZBTSA-N 0 0 575.713 4.836 1 0 KJAFRN O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(Cn2nccn2)c1 ZINC000026483575 561792171 /nfs/dbraw/zinc/79/21/71/561792171.db2.gz VXTBMTMRCNWYCK-NWJWHWDBSA-N 0 0 627.749 4.585 1 0 KJAFRN O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(Cn2ccnn2)c1 ZINC000026483581 561792140 /nfs/dbraw/zinc/79/21/40/561792140.db2.gz TYWFTCCQWGMFKY-NWJWHWDBSA-N 0 0 627.749 4.585 1 0 KJAFRN Nc1cc(CN2C(=O)N(Cc3ccc4n[nH]cc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)ccc1F ZINC000026485875 561792418 /nfs/dbraw/zinc/79/24/18/561792418.db2.gz GUUBIMLFZZKWRX-FYZVQMPESA-N 0 0 579.676 4.666 1 0 KJAFRN C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)CCCCl)C(=O)CCl ZINC000026487391 561792643 /nfs/dbraw/zinc/79/26/43/561792643.db2.gz WSYKJUKCBHJGNH-GKYXRNOTSA-N 0 0 515.449 4.712 1 0 KJAFRN O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(-c2nc[nH]n2)c1 ZINC000026489976 561793167 /nfs/dbraw/zinc/79/31/67/561793167.db2.gz XNMNZSWFRFPRFY-WZJLIZBTSA-N 0 0 613.722 4.730 1 0 KJAFRN CCCC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026491833 561793392 /nfs/dbraw/zinc/79/33/92/561793392.db2.gz HGEIBRBGAMAAFF-PFWSVGDOSA-N 0 0 587.802 4.839 1 0 KJAFRN CCCC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000026492995 561793635 /nfs/dbraw/zinc/79/36/35/561793635.db2.gz XCNFYNJSRLQPPE-MGUFQOSJSA-N 0 0 583.814 4.620 1 0 KJAFRN CN(C(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1c2ccccc2C[C@H]1O ZINC000026493398 561793763 /nfs/dbraw/zinc/79/37/63/561793763.db2.gz SHBRIUZJADVDHY-RWUKFNQSSA-N 0 0 558.719 4.849 1 0 KJAFRN CCNC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000026493670 561793863 /nfs/dbraw/zinc/79/38/63/561793863.db2.gz NHEIBOKBLUFHEF-NWJWHWDBSA-N 0 0 648.804 4.568 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1nc(C(C)C)c[nH]1)C(C)C ZINC000026495103 561794245 /nfs/dbraw/zinc/79/42/45/561794245.db2.gz XFGUWVSATQAHPT-KNZVSNRJSA-N 0 0 534.701 4.719 1 0 KJAFRN Cc1c(F)c(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C(N)=[NH2+])ccc2[N-]S(=O)(=O)C(F)(F)F)c1F ZINC000026495554 561794336 /nfs/dbraw/zinc/79/43/36/561794336.db2.gz WSWZJFIVMIHVCE-UHFFFAOYSA-N 0 0 573.500 4.500 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@](C)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026496633 561794446 /nfs/dbraw/zinc/79/44/46/561794446.db2.gz DMZUPOFDIRSBAO-ABFXELCISA-N 0 0 558.719 4.897 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@](C)(Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000026496637 561794460 /nfs/dbraw/zinc/79/44/60/561794460.db2.gz DMZUPOFDIRSBAO-VMJOLXKWSA-N 0 0 558.719 4.897 1 0 KJAFRN CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026497579 561794584 /nfs/dbraw/zinc/79/45/84/561794584.db2.gz JQNXWTCSTCOKPS-TWJUONSBSA-N 0 0 670.757 4.982 1 0 KJAFRN CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026497583 561794542 /nfs/dbraw/zinc/79/45/42/561794542.db2.gz JQNXWTCSTCOKPS-CWTKIQHKSA-N 0 0 670.757 4.982 1 0 KJAFRN CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026498528 561794785 /nfs/dbraw/zinc/79/47/85/561794785.db2.gz NTXTWVRSZIGFAM-XMMPIXPASA-N 0 0 573.180 4.956 1 0 KJAFRN C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)CCC(=O)OC(C)(C)C)C(=O)CCl ZINC000026499694 561795140 /nfs/dbraw/zinc/79/51/40/561795140.db2.gz ATRIUXCDTABZSH-ZCXWAFQYSA-N 0 0 567.094 4.815 1 0 KJAFRN CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026499953 561795252 /nfs/dbraw/zinc/79/52/52/561795252.db2.gz CYSYZCDFIUAADW-LQJZCPKCSA-N 0 0 691.797 4.958 1 0 KJAFRN CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026499957 561795235 /nfs/dbraw/zinc/79/52/35/561795235.db2.gz CYSYZCDFIUAADW-SAIUNTKASA-N 0 0 691.797 4.958 1 0 KJAFRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)NC(=O)N(CCc1c[nH]c3ccccc13)C2=O ZINC000026500348 561795384 /nfs/dbraw/zinc/79/53/84/561795384.db2.gz DGQVOEAFFYHRME-UHFFFAOYSA-N 0 0 552.475 4.975 1 0 KJAFRN CN(CCC1CC[NH2+]CC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)[O-])C(=O)N(CCCCCc1ccccc1)C2 ZINC000026502006 561795803 /nfs/dbraw/zinc/79/58/03/561795803.db2.gz CQUBDSKDQMDXPM-GDLZYMKVSA-N 0 0 533.713 4.537 1 0 KJAFRN CN(CCC1CC[NH2+]CC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)[O-])C(=O)N(CCCCCc1ccccc1)C2 ZINC000026502009 561795799 /nfs/dbraw/zinc/79/57/99/561795799.db2.gz CQUBDSKDQMDXPM-LJAQVGFWSA-N 0 0 533.713 4.537 1 0 KJAFRN O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CC[NH+]2CCOCC2)CCCC1 ZINC000026503321 561795998 /nfs/dbraw/zinc/79/59/98/561795998.db2.gz QJAXYGNRBHJPOE-QHCPKHFHSA-N 0 0 562.494 4.640 1 0 KJAFRN CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@@H](c3ccccc3OC(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000026567122 561797220 /nfs/dbraw/zinc/79/72/20/561797220.db2.gz GXDHHASFXFRRTG-PBXQCXKZSA-N 0 0 549.569 4.768 1 0 KJAFRN CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@@H](c3ccccc3C(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000026570098 561797926 /nfs/dbraw/zinc/79/79/26/561797926.db2.gz RHLFRQYCXXEYMH-PBXQCXKZSA-N 0 0 533.570 4.888 1 0 KJAFRN CCOC(=O)Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCC ZINC000026571174 561798188 /nfs/dbraw/zinc/79/81/88/561798188.db2.gz QMXLEDQLAJUMEH-GZXHTMMISA-N 0 0 682.774 4.928 1 0 KJAFRN CO[C@@H]1C(=O)N([C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)C2SCCCS2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026572435 561798314 /nfs/dbraw/zinc/79/83/14/561798314.db2.gz NRJKGRSNLQJOFS-ABMPCYAYSA-N 0 0 549.755 4.552 1 0 KJAFRN CO[C@@H]1C(=O)N([C@H]([C@@H]2OC(C)(C)O[C@H]2[C@@H]2COC(C)(C)O2)C2SCCCS2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026572440 561798306 /nfs/dbraw/zinc/79/83/06/561798306.db2.gz NRJKGRSNLQJOFS-SVFNOVJISA-N 0 0 549.755 4.552 1 0 KJAFRN COC(=O)[C@H](CCSC)NC(=O)c1cccc(CNC(=O)[C@H](CSC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)c1 ZINC000026574011 561798747 /nfs/dbraw/zinc/79/87/47/561798747.db2.gz APMZBYRRZDFESP-NSOVKSMOSA-N 0 0 667.806 4.692 1 0 KJAFRN Nc1cccc(N2C(=O)N(Cc3cccc(C(=O)Nc4cnccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000026574908 561798950 /nfs/dbraw/zinc/79/89/50/561798950.db2.gz YJOUONBJMOBWJG-UBMXHKEWSA-N 0 0 628.733 4.698 1 0 KJAFRN COc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026575003 561799078 /nfs/dbraw/zinc/79/90/78/561799078.db2.gz GAUSRFCZNWIYNO-LJOHMEHOSA-N 0 0 652.693 4.713 1 0 KJAFRN COc1cc2ccc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026575583 561799254 /nfs/dbraw/zinc/79/92/54/561799254.db2.gz LFNXXNZEYDBHGA-XWVOHUCTSA-N 0 0 652.693 4.713 1 0 KJAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1nc[nH]n1)c1ccccc1 ZINC000026575698 561799382 /nfs/dbraw/zinc/79/93/82/561799382.db2.gz PQIYRWAQNXZTFQ-PHIIHZIRSA-N 0 0 655.825 4.904 1 0 KJAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026575728 561799407 /nfs/dbraw/zinc/79/94/07/561799407.db2.gz IZRUVRSAVQQIGD-RRPNLBNLSA-N 0 0 579.644 4.576 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026575729 561799394 /nfs/dbraw/zinc/79/93/94/561799394.db2.gz IZRUVRSAVQQIGD-SVBPBHIXSA-N 0 0 579.644 4.576 1 0 KJAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026575730 561799389 /nfs/dbraw/zinc/79/93/89/561799389.db2.gz IZRUVRSAVQQIGD-KAYWLYCHSA-N 0 0 579.644 4.576 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026575731 561799369 /nfs/dbraw/zinc/79/93/69/561799369.db2.gz IZRUVRSAVQQIGD-SXOMAYOGSA-N 0 0 579.644 4.576 1 0 KJAFRN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000026575850 561799518 /nfs/dbraw/zinc/79/95/18/561799518.db2.gz XSQQVEXNDGOQFH-DFVMJYGOSA-N 0 0 655.188 4.821 1 0 KJAFRN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000026575901 561799535 /nfs/dbraw/zinc/79/95/35/561799535.db2.gz UJZKGMDGARTVDL-IJYJNQDQSA-N 0 0 618.771 4.852 1 0 KJAFRN COc1cc(=O)oc2c1ccc1c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C(C)(C)O1 ZINC000026576071 561799903 /nfs/dbraw/zinc/79/99/03/561799903.db2.gz GRHCXLDAKUKKBL-XWVOHUCTSA-N 0 0 652.693 4.713 1 0 KJAFRN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026576076 561799904 /nfs/dbraw/zinc/79/99/04/561799904.db2.gz UJZKGMDGARTVDL-CDPCKCTGSA-N 0 0 618.771 4.852 1 0 KJAFRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026576513 561800337 /nfs/dbraw/zinc/80/03/37/561800337.db2.gz MHTORQLPWQIZJN-IZZNHLLZSA-N 0 0 579.644 4.576 1 0 KJAFRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 ZINC000026576514 561800345 /nfs/dbraw/zinc/80/03/45/561800345.db2.gz MHTORQLPWQIZJN-CLJLJLNGSA-N 0 0 579.644 4.576 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc21)C(C)C)C(=O)N(C)c1ccccn1 ZINC000026576559 561800363 /nfs/dbraw/zinc/80/03/63/561800363.db2.gz YPSLJMJXIPQDLV-MDZZQZJRSA-N 0 0 745.962 4.763 1 0 KJAFRN Cn1cc(Cc2cn(CC(=O)N(CCN(CCO)CCO)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026576688 561800506 /nfs/dbraw/zinc/80/05/06/561800506.db2.gz RAGXHIOOJLIKBZ-UHFFFAOYSA-N 0 0 719.283 4.635 1 0 KJAFRN CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc21)C(C)C)C(=O)N[C@H](C(=O)N(C)c1ccccn1)[C@@H](C)O ZINC000026576785 561800745 /nfs/dbraw/zinc/80/07/45/561800745.db2.gz GONBJGUFKXBNPK-XFPCHGGASA-N 0 0 745.962 4.761 1 0 KJAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1cn[nH]n1)c1ccccc1 ZINC000026576788 561800697 /nfs/dbraw/zinc/80/06/97/561800697.db2.gz CDBGTLWWKFGIKB-UKWUEPKQSA-N 0 0 655.825 4.904 1 0 KJAFRN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026577162 561801043 /nfs/dbraw/zinc/80/10/43/561801043.db2.gz XSQQVEXNDGOQFH-NLODXMLJSA-N 0 0 655.188 4.821 1 0 KJAFRN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577369 561801343 /nfs/dbraw/zinc/80/13/43/561801343.db2.gz 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O=C(Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)CCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000026668842 561811935 /nfs/dbraw/zinc/81/19/35/561811935.db2.gz HTQQJZUIIOPAEI-MHZLTWQESA-N 0 0 551.668 4.865 1 0 KJAFRN CCOP(=O)(/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)OCC ZINC000026670084 561812169 /nfs/dbraw/zinc/81/21/69/561812169.db2.gz XTXFNVYZGUITHH-NBDRGCJVSA-N 0 0 658.733 4.585 1 0 KJAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccn1 ZINC000026670996 561812438 /nfs/dbraw/zinc/81/24/38/561812438.db2.gz LAIUGBHVMZNIFM-YZFFOAQSSA-N 0 0 500.643 4.774 1 0 KJAFRN O=C(Cc1ccccc1I)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn21 ZINC000026672752 561812898 /nfs/dbraw/zinc/81/28/98/561812898.db2.gz VTAAMYSGOSWUCZ-UHFFFAOYSA-N 0 0 529.725 4.977 1 0 KJAFRN Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn32)cc1I ZINC000026673888 561813251 /nfs/dbraw/zinc/81/32/51/561813251.db2.gz ZLDYTMRLGRSYDZ-UHFFFAOYSA-N 0 0 544.740 4.559 1 0 KJAFRN 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/nfs/dbraw/zinc/81/40/54/561814054.db2.gz VJAWKJHMJRYXSC-UQRXFBRVSA-N 0 0 616.803 4.975 1 0 KJAFRN CC(C)c1nc(CON[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@@H]3OCC[C@@H]23)C(C)C)cs1 ZINC000026716168 561814204 /nfs/dbraw/zinc/81/42/04/561814204.db2.gz DVSKUDFZQALTTH-OHARKWHXSA-N 0 0 694.895 4.890 1 0 KJAFRN CC(C)c1nc(CON[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@H]3OCC[C@H]32)C(C)C)cs1 ZINC000026716176 561814253 /nfs/dbraw/zinc/81/42/53/561814253.db2.gz DVSKUDFZQALTTH-WKDCPGJPSA-N 0 0 694.895 4.890 1 0 KJAFRN CC(C)c1nc(CON[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@@H]3OCC[C@@H]23)C(C)C)cs1 ZINC000026716539 561814213 /nfs/dbraw/zinc/81/42/13/561814213.db2.gz DVSKUDFZQALTTH-RLMVSLMISA-N 0 0 694.895 4.890 1 0 KJAFRN CC(C)c1nc(CON[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@H]3OCC[C@H]32)C(C)C)cs1 ZINC000026716549 561814227 /nfs/dbraw/zinc/81/42/27/561814227.db2.gz DVSKUDFZQALTTH-BDNVMOQLSA-N 0 0 694.895 4.890 1 0 KJAFRN COC(=O)[C@H]1[C@@H]2CN(c3ccc(C)cc3)N=C2c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000026717437 561814507 /nfs/dbraw/zinc/81/45/07/561814507.db2.gz CUJJZOYZUQHIDR-KWTBFXGESA-N 0 0 530.577 4.525 1 0 KJAFRN CC(C)c1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@@H]3OCC[C@@H]23)C(C)C)cs1 ZINC000026717892 561814594 /nfs/dbraw/zinc/81/45/94/561814594.db2.gz QVDAYNWSBRMFDY-SYMNVRPLSA-N 0 0 707.938 4.805 1 0 KJAFRN CC(C)c1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@@H]3OCC[C@@H]23)C(C)C)cs1 ZINC000026717896 561814546 /nfs/dbraw/zinc/81/45/46/561814546.db2.gz QVDAYNWSBRMFDY-WAYZKLMTSA-N 0 0 707.938 4.805 1 0 KJAFRN CCOC(=O)Cn1c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(C)=O)nc4)c3Cl)c2nc1OC ZINC000026717924 561814598 /nfs/dbraw/zinc/81/45/98/561814598.db2.gz BWZHFTDQCVFPBD-GXDHUFHOSA-N 0 0 683.549 4.640 1 0 KJAFRN COCCn1c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(C)=O)nc4)c3Cl)c2nc1OC ZINC000026717929 561814528 /nfs/dbraw/zinc/81/45/28/561814528.db2.gz FFBBRBMZBZYBQC-UKTHLTGXSA-N 0 0 655.539 4.723 1 0 KJAFRN CSc1cccc2c1N(C(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)CC2 ZINC000026718352 561814695 /nfs/dbraw/zinc/81/46/95/561814695.db2.gz CIXXPKBNAXBWJH-AOXXHNHHSA-N 0 0 713.901 4.673 1 0 KJAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4c(F)c(C(C)(C)C)cc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000026718449 561814705 /nfs/dbraw/zinc/81/47/05/561814705.db2.gz OFXDQYWUBQYOOZ-HCWPCHDZSA-N 0 0 522.510 4.767 1 0 KJAFRN Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)cc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000026720223 561815041 /nfs/dbraw/zinc/81/50/41/561815041.db2.gz JSFVVKYKNXUHIP-IHLIIFJNSA-N 0 0 504.520 4.628 1 0 KJAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](CO)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026721190 561815151 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KJAFRN CC(C)c1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOC2)C(C)C)cs1 ZINC000026721825 561815362 /nfs/dbraw/zinc/81/53/62/561815362.db2.gz RRAMYRUPUWWUBH-QDRJTDBGSA-N 0 0 665.901 4.832 1 0 KJAFRN CC(C)c1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@@H]3OCC[C@H]23)C(C)C)cs1 ZINC000026722394 561815395 /nfs/dbraw/zinc/81/53/95/561815395.db2.gz QVDAYNWSBRMFDY-PADCFFPNSA-N 0 0 707.938 4.805 1 0 KJAFRN CC(C)c1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@H]3OCC[C@@H]32)C(C)C)cs1 ZINC000026722399 561815405 /nfs/dbraw/zinc/81/54/05/561815405.db2.gz QVDAYNWSBRMFDY-NMQDODRYSA-N 0 0 707.938 4.805 1 0 KJAFRN CC(C)c1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@@H]3OCC[C@H]23)C(C)C)cs1 ZINC000026722404 561815444 /nfs/dbraw/zinc/81/54/44/561815444.db2.gz QVDAYNWSBRMFDY-VFQPZVIPSA-N 0 0 707.938 4.805 1 0 KJAFRN CC(C)c1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]23)C(C)C)cs1 ZINC000026722410 561815380 /nfs/dbraw/zinc/81/53/80/561815380.db2.gz QVDAYNWSBRMFDY-WAASMESISA-N 0 0 707.938 4.805 1 0 KJAFRN CC(C)c1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@@H]3OCC[C@H]23)C(C)C)cs1 ZINC000026722795 561815439 /nfs/dbraw/zinc/81/54/39/561815439.db2.gz LPLMGWGSYDRHTH-VFQPZVIPSA-N 0 0 707.938 4.805 1 0 KJAFRN CC(C)c1nc(CN(C)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]23)C(C)C)cs1 ZINC000026722803 561815568 /nfs/dbraw/zinc/81/55/68/561815568.db2.gz LPLMGWGSYDRHTH-WAASMESISA-N 0 0 707.938 4.805 1 0 KJAFRN O=C(Cc1cccc(I)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn21 ZINC000026723220 561815535 /nfs/dbraw/zinc/81/55/35/561815535.db2.gz NLCXVPPXKXFHNE-UHFFFAOYSA-N 0 0 529.725 4.977 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C3=NN(c5ccccc5)C[C@H]3[C@@H]2COC(C)=O)OCO4)cc(OC)c1OC ZINC000026724128 561815720 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/nfs/dbraw/zinc/82/14/21/561821421.db2.gz BNEUUKYSHWONFU-SZGRBJMUSA-N 0 0 588.745 4.778 1 0 KJAFRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccc(Br)cc2)[C@H](O)C[C@@H]1O ZINC000026824851 561821700 /nfs/dbraw/zinc/82/17/00/561821700.db2.gz WTMDDBWZLIBQHN-ABSZQGJESA-N 0 0 509.481 4.725 1 0 KJAFRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCc2ccc(Br)cc2)[C@H](O)C[C@@H]1O ZINC000026824856 561821708 /nfs/dbraw/zinc/82/17/08/561821708.db2.gz WTMDDBWZLIBQHN-CHYXWDFWSA-N 0 0 509.481 4.725 1 0 KJAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026826059 561821975 /nfs/dbraw/zinc/82/19/75/561821975.db2.gz LGMHHHCIIPHTFW-NREVGYPESA-N 0 0 735.926 4.641 1 0 KJAFRN Nc1ncnc2nc(-c3ccc(N4CCC(COC5CCOCC5)CC4)nn3)cc(-c3cccc(Br)c3)c12 ZINC000026826279 561822037 /nfs/dbraw/zinc/82/20/37/561822037.db2.gz SLAIUHSQBNDJEU-UHFFFAOYSA-N 0 0 576.499 4.906 1 0 KJAFRN Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000026826545 561822104 /nfs/dbraw/zinc/82/21/04/561822104.db2.gz GEOWQTGMJLRVOC-HHHXNRCGSA-N 0 0 517.601 4.963 1 0 KJAFRN C/C(=C\c1csc(C)n1)[C@@H]1C[C@H](O)[C@@](C)(Cl)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026826629 561822137 /nfs/dbraw/zinc/82/21/37/561822137.db2.gz ACNJLYWBDFAHMX-QLUHDRBYSA-N 0 0 544.154 4.678 1 0 KJAFRN Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000026826815 561822087 /nfs/dbraw/zinc/82/20/87/561822087.db2.gz CMUWMWYXXQZCFH-MUUNZHRXSA-N 0 0 556.663 4.886 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)c2ccccc2C[C@H]1O ZINC000026827143 561822131 /nfs/dbraw/zinc/82/21/31/561822131.db2.gz LFXSVMCTDNQTAX-XPGVQGGKSA-N 0 0 558.719 4.681 1 0 KJAFRN COC(=O)[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026827149 561822085 /nfs/dbraw/zinc/82/20/85/561822085.db2.gz VAOHFAMLPUSOPR-AZWBIQCWSA-N 0 0 586.729 4.935 1 0 KJAFRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCc2cccc(Br)c2)[C@H](O)C[C@@H]1O ZINC000026827196 561822227 /nfs/dbraw/zinc/82/22/27/561822227.db2.gz VGDUBFZGFSYEKB-BMBLLYGXSA-N 0 0 509.481 4.725 1 0 KJAFRN Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000026828436 561822529 /nfs/dbraw/zinc/82/25/29/561822529.db2.gz SZOATFVUUNFDAC-RPLLCQBOSA-N 0 0 514.626 4.579 1 0 KJAFRN C/C(=C\c1csc(C)n1)[C@@H]1C[C@H]2OC(C)(C)O[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026828576 561822525 /nfs/dbraw/zinc/82/25/25/561822525.db2.gz SMHQJNIWEUBETF-HGDREDOWSA-N 0 0 551.746 4.840 1 0 KJAFRN C/C(=C\c1csc(C)n1)[C@@H]1C[C@H]2OC(C)(C)O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026828580 561822530 /nfs/dbraw/zinc/82/25/30/561822530.db2.gz SMHQJNIWEUBETF-MHBAVWROSA-N 0 0 551.746 4.840 1 0 KJAFRN C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(C)(C)O[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026828585 561822532 /nfs/dbraw/zinc/82/25/32/561822532.db2.gz SMHQJNIWEUBETF-GJZWQOFASA-N 0 0 551.746 4.840 1 0 KJAFRN Cc1cccc(NC(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000026829264 561822592 /nfs/dbraw/zinc/82/25/92/561822592.db2.gz CMYMFJIRDMYHDJ-HHHXNRCGSA-N 0 0 527.621 4.740 1 0 KJAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](Nc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026829536 561822752 /nfs/dbraw/zinc/82/27/52/561822752.db2.gz GMQZRGYLNOBSEZ-LOFFRUMASA-N 0 0 721.899 4.964 1 0 KJAFRN Cc1cccc(NC(=O)N[C@H](C[S@@](=O)Cc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000026830497 561822864 /nfs/dbraw/zinc/82/28/64/561822864.db2.gz IBEXWSKBKHNHHX-LTMKAIOCSA-N 0 0 531.678 4.556 1 0 KJAFRN Cc1cccc(NC(=O)N[C@H](C[S@](=O)Cc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000026830501 561822850 /nfs/dbraw/zinc/82/28/50/561822850.db2.gz IBEXWSKBKHNHHX-CWRQMEKBSA-N 0 0 531.678 4.556 1 0 KJAFRN O=C(c1cn(Cc2cncn2Cc2ccc3c(c2)OCO3)cc1-c1cccc2ccccc21)N1CCOCC1 ZINC000026830655 561822840 /nfs/dbraw/zinc/82/28/40/561822840.db2.gz VHSNTJWPNYCXNM-UHFFFAOYSA-N 0 0 520.589 4.803 1 0 KJAFRN Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026830763 561822913 /nfs/dbraw/zinc/82/29/13/561822913.db2.gz GWCNPLNSWCRPJU-GOTSBHOMSA-N 0 0 684.615 4.814 1 0 KJAFRN CCC(CC)C[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)NC(=O)[C@H](C(C)C)N1CCCNC1=O ZINC000026831078 561822965 /nfs/dbraw/zinc/82/29/65/561822965.db2.gz YAWBOIAJBDHEAB-QUUJSONZSA-N 0 0 622.851 4.912 1 0 KJAFRN CC(C)[C@@H](NC(=O)Cn1cc(Cc2cccc(F)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026831356 561823139 /nfs/dbraw/zinc/82/31/39/561823139.db2.gz AXJLAJQUZFMOGM-XMMPIXPASA-N 0 0 561.532 4.599 1 0 KJAFRN CC(C)[C@H](NC(=O)Cn1cc(Cc2cccc(F)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026831360 561823072 /nfs/dbraw/zinc/82/30/72/561823072.db2.gz AXJLAJQUZFMOGM-DEOSSOPVSA-N 0 0 561.532 4.599 1 0 KJAFRN CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832326 561823176 /nfs/dbraw/zinc/82/31/76/561823176.db2.gz ZBRYWVAHWCZKHX-GGMKXBPLSA-N 0 0 544.729 4.561 1 0 KJAFRN CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832330 561823189 /nfs/dbraw/zinc/82/31/89/561823189.db2.gz ZBRYWVAHWCZKHX-AJPYGXQBSA-N 0 0 544.729 4.561 1 0 KJAFRN CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832333 561823226 /nfs/dbraw/zinc/82/32/26/561823226.db2.gz ZBRYWVAHWCZKHX-NSPBKJTKSA-N 0 0 544.729 4.561 1 0 KJAFRN CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832336 561823178 /nfs/dbraw/zinc/82/31/78/561823178.db2.gz ZBRYWVAHWCZKHX-ZTEPIIQNSA-N 0 0 544.729 4.561 1 0 KJAFRN CN1C(=O)[C@@H]2[C@@H](CN(S(=O)(=O)c3ccc4ccccc4c3)C23CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)C1=O ZINC000026833309 561823416 /nfs/dbraw/zinc/82/34/16/561823416.db2.gz BLMXPQBNRUSVOP-RPWUZVMVSA-N 0 0 653.601 4.788 1 0 KJAFRN CC(C)[C@@H](NC(=O)Cn1cc(Cc2ccc(F)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026834406 561823789 /nfs/dbraw/zinc/82/37/89/561823789.db2.gz GHECFILJNTUBQJ-XMMPIXPASA-N 0 0 561.532 4.599 1 0 KJAFRN CC(C)[C@H](NC(=O)Cn1cc(Cc2ccc(F)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026834410 561823791 /nfs/dbraw/zinc/82/37/91/561823791.db2.gz GHECFILJNTUBQJ-DEOSSOPVSA-N 0 0 561.532 4.599 1 0 KJAFRN Cc1cccc(NC(=O)N[C@H](COCc2ccccc2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000026834741 561823807 /nfs/dbraw/zinc/82/38/07/561823807.db2.gz HSPFWSJPWOITQE-HHHXNRCGSA-N 0 0 514.626 4.579 1 0 KJAFRN CC(C)Oc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N ZINC000026835090 561824092 /nfs/dbraw/zinc/82/40/92/561824092.db2.gz PNMQOYSBCPEINH-UHFFFAOYSA-N 0 0 560.690 4.948 1 0 KJAFRN CCCS(=O)(=O)Nc1ccc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1 ZINC000026835143 561824108 /nfs/dbraw/zinc/82/41/08/561824108.db2.gz MTTYWYUZNBELQB-DEOSSOPVSA-N 0 0 547.787 4.867 1 0 KJAFRN CCCS(=O)(=O)Nc1ccc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1 ZINC000026835147 561824038 /nfs/dbraw/zinc/82/40/38/561824038.db2.gz MTTYWYUZNBELQB-XMMPIXPASA-N 0 0 547.787 4.867 1 0 KJAFRN COC(=O)CNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 ZINC000026835801 561824278 /nfs/dbraw/zinc/82/42/78/561824278.db2.gz LCAJHIWAYHQYBE-MGBGTMOVSA-N 0 0 569.633 4.975 1 0 KJAFRN COC(=O)CNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 ZINC000026835805 561824281 /nfs/dbraw/zinc/82/42/81/561824281.db2.gz LCAJHIWAYHQYBE-XIFFEERXSA-N 0 0 569.633 4.975 1 0 KJAFRN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](CCC(C)C)NC(=O)[C@H](C(C)C)N1CCCNC1=O ZINC000026837221 561824821 /nfs/dbraw/zinc/82/48/21/561824821.db2.gz BIDJEUJKSWDJKR-GKCWTWCASA-N 0 0 608.824 4.522 1 0 KJAFRN COc1cccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)c1 ZINC000026838286 561825044 /nfs/dbraw/zinc/82/50/44/561825044.db2.gz XNQRQRKNCWCPCD-UHFFFAOYSA-N 0 0 575.428 4.893 1 0 KJAFRN CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000026838567 561825060 /nfs/dbraw/zinc/82/50/60/561825060.db2.gz LRMVHBKSTFKTLA-JOCHJYFZSA-N 0 0 547.787 4.768 1 0 KJAFRN CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000026838571 561825034 /nfs/dbraw/zinc/82/50/34/561825034.db2.gz LRMVHBKSTFKTLA-QFIPXVFZSA-N 0 0 547.787 4.768 1 0 KJAFRN CC(C)[C@@H](NC(=O)Cn1cc(Cc2cccc(NC(=O)C(F)(F)F)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026839277 561825320 /nfs/dbraw/zinc/82/53/20/561825320.db2.gz VYNFCOWRNSUDCE-XMMPIXPASA-N 0 0 654.564 4.961 1 0 KJAFRN CC(C)[C@H](NC(=O)Cn1cc(Cc2cccc(NC(=O)C(F)(F)F)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026839281 561825297 /nfs/dbraw/zinc/82/52/97/561825297.db2.gz VYNFCOWRNSUDCE-DEOSSOPVSA-N 0 0 654.564 4.961 1 0 KJAFRN COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O ZINC000026839428 561825332 /nfs/dbraw/zinc/82/53/32/561825332.db2.gz RGMHDXJDLDUHAV-QFIPXVFZSA-N 0 0 577.813 4.777 1 0 KJAFRN COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O ZINC000026839432 561825315 /nfs/dbraw/zinc/82/53/15/561825315.db2.gz RGMHDXJDLDUHAV-JOCHJYFZSA-N 0 0 577.813 4.777 1 0 KJAFRN CCOc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N ZINC000026840391 561825567 /nfs/dbraw/zinc/82/55/67/561825567.db2.gz CXZHWVFSYBUOFI-UHFFFAOYSA-N 0 0 546.663 4.559 1 0 KJAFRN CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(N)=O)[C@@H]1c1ccccc1Cl ZINC000026840968 561825837 /nfs/dbraw/zinc/82/58/37/561825837.db2.gz FHIKDSJVFFWRMC-VWLOTQADSA-N 0 0 528.012 4.803 1 0 KJAFRN CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(N)=O)[C@H]1c1ccccc1Cl ZINC000026840973 561825825 /nfs/dbraw/zinc/82/58/25/561825825.db2.gz FHIKDSJVFFWRMC-RUZDIDTESA-N 0 0 528.012 4.803 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(C(=O)[O-])CC2)c(C(C)C)c1 ZINC000026841776 561825875 /nfs/dbraw/zinc/82/58/75/561825875.db2.gz PEGCCGYHUIGUDV-MHZLTWQESA-N 0 0 584.783 4.554 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(C(=O)[O-])CC2)c(C(C)C)c1 ZINC000026841782 561825822 /nfs/dbraw/zinc/82/58/22/561825822.db2.gz PEGCCGYHUIGUDV-HHHXNRCGSA-N 0 0 584.783 4.554 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl ZINC000026842212 561826017 /nfs/dbraw/zinc/82/60/17/561826017.db2.gz POOFXMHSHQTGID-NSOVKSMOSA-N 0 0 563.167 4.907 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl ZINC000026843736 561826132 /nfs/dbraw/zinc/82/61/32/561826132.db2.gz UKDPTTJBOMIOCJ-NSOVKSMOSA-N 0 0 563.167 4.955 1 0 KJAFRN Cc1ccc(C[C@@H](CNC(=S)NCc2ccc(NS(=O)(=O)C(C)C)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026843999 561826178 /nfs/dbraw/zinc/82/61/78/561826178.db2.gz BXIFUMIXRXHIKH-DEOSSOPVSA-N 0 0 547.787 4.866 1 0 KJAFRN Cc1ccc(C[C@H](CNC(=S)NCc2ccc(NS(=O)(=O)C(C)C)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026844007 561826276 /nfs/dbraw/zinc/82/62/76/561826276.db2.gz BXIFUMIXRXHIKH-XMMPIXPASA-N 0 0 547.787 4.866 1 0 KJAFRN Nc1nc2c(ncn2CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)c(Sc2ccccc2)n1 ZINC000026844771 561826396 /nfs/dbraw/zinc/82/63/96/561826396.db2.gz JJLWXCPEQYXFFT-UHFFFAOYSA-N 0 0 545.402 4.885 1 0 investigational KJAFRN CCCCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(NC(=O)[C@H](SC(=O)C2CCCC2)C(C)C)CCCC1 ZINC000026845368 561826391 /nfs/dbraw/zinc/82/63/91/561826391.db2.gz WYMKLXDGRIOZLY-LOSJGSFVSA-N 0 0 560.757 4.666 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCC[C@@H]2C(=O)[O-])c(C(C)C)c1 ZINC000026847127 561826620 /nfs/dbraw/zinc/82/66/20/561826620.db2.gz ASHJGVAKJNCVRA-RRPNLBNLSA-N 0 0 584.783 4.696 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCC[C@@H]2C(=O)[O-])c(C(C)C)c1 ZINC000026847134 561826624 /nfs/dbraw/zinc/82/66/24/561826624.db2.gz ASHJGVAKJNCVRA-KAYWLYCHSA-N 0 0 584.783 4.696 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C(C)C)c1 ZINC000026847470 561826821 /nfs/dbraw/zinc/82/68/21/561826821.db2.gz APYYAMRNTXCSIO-KCWPFWIISA-N 0 0 584.783 4.554 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C(C)C)c1 ZINC000026847477 561826772 /nfs/dbraw/zinc/82/67/72/561826772.db2.gz APYYAMRNTXCSIO-YIXXDRMTSA-N 0 0 584.783 4.554 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1O ZINC000026847564 561826803 /nfs/dbraw/zinc/82/68/03/561826803.db2.gz JXYBGOIIBBZYGG-VMPREFPWSA-N 0 0 550.659 4.928 1 0 KJAFRN O=C(NCCN1CCOCC1)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026848552 561826894 /nfs/dbraw/zinc/82/68/94/561826894.db2.gz PAMHNAPDSHMZAM-DHUJRADRSA-N 0 0 596.703 4.826 1 0 KJAFRN O=C(NCCN1CCOCC1)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000026848565 561826885 /nfs/dbraw/zinc/82/68/85/561826885.db2.gz PAMHNAPDSHMZAM-PGUFJCEWSA-N 0 0 596.703 4.826 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl ZINC000026850713 561827126 /nfs/dbraw/zinc/82/71/26/561827126.db2.gz IPBIPGMDYKXPNL-SVBPBHIXSA-N 0 0 549.140 4.565 1 0 KJAFRN COC(=O)[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026852129 561827330 /nfs/dbraw/zinc/82/73/30/561827330.db2.gz VAOHFAMLPUSOPR-UMVZRTSOSA-N 0 0 586.729 4.935 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCc1ccccc1)C(=O)N[C@H]1c2ccccc2[C@@H](O)[C@H]1O ZINC000026852137 561827303 /nfs/dbraw/zinc/82/73/03/561827303.db2.gz BNEUUKYSHWONFU-DEKMLIIYSA-N 0 0 588.745 4.778 1 0 KJAFRN COc1ccccc1Sc1nc(N)nc2c1ncn2CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000026852198 561827424 /nfs/dbraw/zinc/82/74/24/561827424.db2.gz MUIJRVZPHRTYCW-UHFFFAOYSA-N 0 0 575.428 4.893 1 0 KJAFRN CN(CCc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl ZINC000026935563 561827525 /nfs/dbraw/zinc/82/75/25/561827525.db2.gz OTCUBUAATXSYHI-NSOVKSMOSA-N 0 0 563.167 4.608 1 0 KJAFRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl)c1ccccc1 ZINC000026936908 561827628 /nfs/dbraw/zinc/82/76/28/561827628.db2.gz KQUGKAAVNOADJT-UIOOFZCWSA-N 0 0 535.113 4.569 1 0 KJAFRN O=C(NCCc1c[nH]c2ccccc12)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl ZINC000026937493 561827670 /nfs/dbraw/zinc/82/76/70/561827670.db2.gz QPYYKHVKRDAGGT-VMPREFPWSA-N 0 0 588.177 4.747 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1C(F)(F)F ZINC000026938062 561827845 /nfs/dbraw/zinc/82/78/45/561827845.db2.gz LNHCUADMJKYAEC-SVBPBHIXSA-N 0 0 582.692 4.930 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Br ZINC000026938232 561827804 /nfs/dbraw/zinc/82/78/04/561827804.db2.gz QEKNOTIEZRQEFJ-SVBPBHIXSA-N 0 0 593.591 4.674 1 0 KJAFRN COc1cc(/C=C/C(=O)O[C@@H]2CC[C@]3(CO3)[C@@H]([C@]3(C)O[C@H]3CCC=C(C)C)[C@@H]2OC)cc(OC)c1OC ZINC000026939112 561827974 /nfs/dbraw/zinc/82/79/74/561827974.db2.gz NIFJFVXBDIHLNV-PTBRXHAZSA-N 0 0 516.631 4.735 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccnc1 ZINC000026939663 561827960 /nfs/dbraw/zinc/82/79/60/561827960.db2.gz PZHALDXTORCWTC-VMPREFPWSA-N 0 0 535.648 4.617 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1CO ZINC000026940040 561827926 /nfs/dbraw/zinc/82/79/26/561827926.db2.gz NFMRLIYGGXGINK-CONSDPRKSA-N 0 0 564.686 4.715 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1N ZINC000026941318 561828088 /nfs/dbraw/zinc/82/80/88/561828088.db2.gz XQEMTCXFWJTEJP-KYJUHHDHSA-N 0 0 549.675 4.804 1 0 KJAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1ccc(OC(C)C)cc1 ZINC000026942588 561828198 /nfs/dbraw/zinc/82/81/98/561828198.db2.gz AKVZEGQZNSIHRP-SMXONETASA-N 0 0 732.919 4.611 1 0 KJAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1ccc(OC(C)C)cc1 ZINC000026942596 561828215 /nfs/dbraw/zinc/82/82/15/561828215.db2.gz AKVZEGQZNSIHRP-SYRLMZQMSA-N 0 0 732.919 4.611 1 0 KJAFRN Nc1cccc(CN2C(=O)N(Cc3ccc4[nH]nc(-c5cc[nH]n5)c4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000026950270 561828785 /nfs/dbraw/zinc/82/87/85/561828785.db2.gz HRXLCWSIQGZEGT-IHIHPJAWSA-N 0 0 627.749 4.917 1 0 KJAFRN CCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)CCCC(F)(F)F ZINC000026952128 561828953 /nfs/dbraw/zinc/82/89/53/561828953.db2.gz BMNFTWGABWKVKN-VANUSSGQSA-N 0 0 618.646 4.789 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC(=O)c1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026953773 561829056 /nfs/dbraw/zinc/82/90/56/561829056.db2.gz WVCBNOUPUUZSIJ-GQQNVAGYSA-N 0 0 572.702 4.537 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2CC[C@H]1O ZINC000026953788 561829020 /nfs/dbraw/zinc/82/90/20/561829020.db2.gz IMGCDQHXXAQTBJ-LUSCGSNMSA-N 0 0 558.719 4.897 1 0 KJAFRN CN(C)C(=O)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 ZINC000026954108 561829079 /nfs/dbraw/zinc/82/90/79/561829079.db2.gz DSNJUUKGQCMCOQ-ACHIHNKUSA-N 0 0 605.739 4.924 1 0 KJAFRN CNC(=O)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 ZINC000026954118 561829012 /nfs/dbraw/zinc/82/90/12/561829012.db2.gz HOFQNBZCEZYVOE-CONSDPRKSA-N 0 0 591.712 4.582 1 0 KJAFRN CCCCCCS(=O)(=O)N(CCC)CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000026962425 561829668 /nfs/dbraw/zinc/82/96/68/561829668.db2.gz ONFVMNXKGCKHRE-ZJGIAAPESA-N 0 0 574.740 4.887 1 0 KJAFRN CCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)Cc1ccccc1 ZINC000026967194 561830043 /nfs/dbraw/zinc/83/00/43/561830043.db2.gz QTVSQTWJVXHECP-DQWNXYKBSA-N 0 0 598.693 4.646 1 0 KJAFRN CCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)Cc1ccccc1 ZINC000026968596 561830218 /nfs/dbraw/zinc/83/02/18/561830218.db2.gz SBPDQKNFUCSQDY-XUEBXJBISA-N 0 0 580.703 4.507 1 0 KJAFRN CCCCCS(=O)(=O)N(CCC)CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000026969036 561830226 /nfs/dbraw/zinc/83/02/26/561830226.db2.gz ZTLLQALGTKLDDK-ZFWHIUCFSA-N 0 0 566.667 4.767 1 0 KJAFRN CC(C)[C@@H](NC(=O)Cn1c(CCc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026971611 561830458 /nfs/dbraw/zinc/83/04/58/561830458.db2.gz VRFKDHIVWIZNIG-RUZDIDTESA-N 0 0 557.569 4.654 1 0 KJAFRN CC(C)[C@H](NC(=O)Cn1c(CCc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026971618 561830450 /nfs/dbraw/zinc/83/04/50/561830450.db2.gz VRFKDHIVWIZNIG-VWLOTQADSA-N 0 0 557.569 4.654 1 0 KJAFRN CCCCCS(=O)(=O)N(CCC)CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026974500 561830702 /nfs/dbraw/zinc/83/07/02/561830702.db2.gz UBMFQXBBGUCRBP-ZPJFYFFZSA-N 0 0 590.739 4.506 1 0 KJAFRN CC(C)N1C(=O)N(C(C)C)C(=O)C2(CC=C3[C@H](CCC4=Cc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)O2)C1=O ZINC000026976246 561830938 /nfs/dbraw/zinc/83/09/38/561830938.db2.gz LUEVLCHGICBJIV-SVEHJYQDSA-N 0 0 532.616 4.813 1 0 KJAFRN CCCN1C(=O)N(CCC)C(=O)C2(CC=C3[C@H](CCC4=Cc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)O2)C1=O ZINC000026976254 561830955 /nfs/dbraw/zinc/83/09/55/561830955.db2.gz YEQFDQJPWWSACJ-SVEHJYQDSA-N 0 0 532.616 4.816 1 0 KJAFRN CC(C)[C@@H](NC(=O)Cn1ccc(-c2ccccc2)c(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026978471 561831118 /nfs/dbraw/zinc/83/11/18/561831118.db2.gz OVOZMOYQOHKFLM-JOCHJYFZSA-N 0 0 529.515 4.536 1 0 KJAFRN CC(C)[C@H](NC(=O)Cn1ccc(-c2ccccc2)c(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026978479 561831185 /nfs/dbraw/zinc/83/11/85/561831185.db2.gz OVOZMOYQOHKFLM-QFIPXVFZSA-N 0 0 529.515 4.536 1 0 KJAFRN Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)cc1 ZINC000026978554 561831125 /nfs/dbraw/zinc/83/11/25/561831125.db2.gz XNAKUXQHZSDPDK-XMMPIXPASA-N 0 0 543.542 4.845 1 0 KJAFRN Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1 ZINC000026978561 561831133 /nfs/dbraw/zinc/83/11/33/561831133.db2.gz XNAKUXQHZSDPDK-DEOSSOPVSA-N 0 0 543.542 4.845 1 0 KJAFRN CCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000026979936 561831275 /nfs/dbraw/zinc/83/12/75/561831275.db2.gz CZMQSNRSDRARJU-XUEBXJBISA-N 0 0 580.703 4.675 1 0 KJAFRN COc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)cc1 ZINC000026981125 561831350 /nfs/dbraw/zinc/83/13/50/561831350.db2.gz GIBOZBAASDGNEK-DEOSSOPVSA-N 0 0 559.541 4.545 1 0 KJAFRN COc1ccc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)cc1 ZINC000026981133 561831371 /nfs/dbraw/zinc/83/13/71/561831371.db2.gz GIBOZBAASDGNEK-XMMPIXPASA-N 0 0 559.541 4.545 1 0 KJAFRN Cc1cc(COC(=O)Nc2ccc(-c3ccccc3)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c2=O)cc(C)n1 ZINC000026982180 561831510 /nfs/dbraw/zinc/83/15/10/561831510.db2.gz PPKJSOZGHGROOV-XMMPIXPASA-N 0 0 558.557 4.548 1 0 KJAFRN Cc1cc(COC(=O)Nc2ccc(-c3ccccc3)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c2=O)cc(C)n1 ZINC000026982188 561831458 /nfs/dbraw/zinc/83/14/58/561831458.db2.gz PPKJSOZGHGROOV-DEOSSOPVSA-N 0 0 558.557 4.548 1 0 KJAFRN COc1cc(OC)cc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1 ZINC000026982651 561831447 /nfs/dbraw/zinc/83/14/47/561831447.db2.gz XQDJSTTYDXNWJG-VWLOTQADSA-N 0 0 589.567 4.553 1 0 KJAFRN COc1cc(OC)cc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c1 ZINC000026982656 561831460 /nfs/dbraw/zinc/83/14/60/561831460.db2.gz XQDJSTTYDXNWJG-RUZDIDTESA-N 0 0 589.567 4.553 1 0 KJAFRN CC(C)[C@@H](NC(=O)Cn1cc(-c2ccccc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026982677 561831454 /nfs/dbraw/zinc/83/14/54/561831454.db2.gz SDCIBTKVLKWCDN-HSZRJFAPSA-N 0 0 529.515 4.536 1 0 KJAFRN CC(C)[C@H](NC(=O)Cn1cc(-c2ccccc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026982684 561831471 /nfs/dbraw/zinc/83/14/71/561831471.db2.gz SDCIBTKVLKWCDN-QHCPKHFHSA-N 0 0 529.515 4.536 1 0 KJAFRN CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](CCCCNC(=O)Cc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026983137 561831665 /nfs/dbraw/zinc/83/16/65/561831665.db2.gz RYSYGNANNWCOSN-QAXCHELISA-N 0 0 614.787 4.729 1 0 KJAFRN CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(S(C)(=O)=O)cc1 ZINC000026983720 561831671 /nfs/dbraw/zinc/83/16/71/561831671.db2.gz YEKVAAWBCICTOR-XGJRVREISA-N 0 0 687.950 4.832 1 0 KJAFRN CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(S(C)(=O)=O)cc1 ZINC000026983728 561831622 /nfs/dbraw/zinc/83/16/22/561831622.db2.gz YEKVAAWBCICTOR-RJSONGRPSA-N 0 0 687.950 4.832 1 0 KJAFRN CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](CCCCNC(=O)c1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026984634 561831758 /nfs/dbraw/zinc/83/17/58/561831758.db2.gz GQBXEDCNLAXENR-YPKYBTACSA-N 0 0 600.760 4.801 1 0 KJAFRN Cc1cc(=O)sc2c1ccc1c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)CO1 ZINC000026984951 561831707 /nfs/dbraw/zinc/83/17/07/561831707.db2.gz BZNNTCXYRSUEHR-XFUPBCAMSA-N 0 0 624.708 4.702 1 0 KJAFRN CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CN(Cc1ccccc1)C(C)=O ZINC000026985634 561831855 /nfs/dbraw/zinc/83/18/55/561831855.db2.gz NYQQVMNAFWEGOO-JHIPEVQNSA-N 0 0 634.843 4.544 1 0 KJAFRN Cc1cc(Cc2cc(Oc3c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc3I)ccc2O)ccc1O ZINC000026986231 561831958 /nfs/dbraw/zinc/83/19/58/561831958.db2.gz YALBIEFVIFXZLF-IBGZPJMESA-N 0 0 645.231 4.953 1 0 KJAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000026986995 561832097 /nfs/dbraw/zinc/83/20/97/561832097.db2.gz DFPCVVZATIUBJZ-USOMCTOXSA-N 0 0 524.658 4.737 1 0 KJAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc(OC)cc2OC)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000026987148 561832107 /nfs/dbraw/zinc/83/21/07/561832107.db2.gz IMZRKILMBXWZMB-ZJGIAAPESA-N 0 0 526.674 4.983 1 0 KJAFRN CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccncc1 ZINC000026989279 561832328 /nfs/dbraw/zinc/83/23/28/561832328.db2.gz LKAMSUCGCJLSBG-LDVROUIZSA-N 0 0 610.846 4.824 1 0 KJAFRN CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccncc1 ZINC000026989284 561832237 /nfs/dbraw/zinc/83/22/37/561832237.db2.gz LKAMSUCGCJLSBG-WTWMYVDVSA-N 0 0 610.846 4.824 1 0 KJAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCc1nc(C)c(C)o1 ZINC000026989464 561832400 /nfs/dbraw/zinc/83/24/00/561832400.db2.gz BOGIUGRMOYWECN-AWVRMFGXSA-N 0 0 527.662 4.550 1 0 KJAFRN CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](CCCCN1C(=O)c2ccccc2C1=O)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026990789 561832552 /nfs/dbraw/zinc/83/25/52/561832552.db2.gz MTAVQVITWBDOLI-YPKYBTACSA-N 0 0 626.754 4.667 1 0 KJAFRN Cc1c(O)c(=O)ccn1CCOCCOCCOCCOCCOCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026991046 561832525 /nfs/dbraw/zinc/83/25/25/561832525.db2.gz FTRFAGHLBBZYGS-UHFFFAOYSA-N 0 0 591.786 4.879 1 0 KJAFRN CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)COCc1ccccc1 ZINC000026992445 561832604 /nfs/dbraw/zinc/83/26/04/561832604.db2.gz ZOMRDOUXFFTKEB-NRSKXHDUSA-N 0 0 593.790 4.712 1 0 KJAFRN CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)COCc1ccccc1 ZINC000026992452 561832671 /nfs/dbraw/zinc/83/26/71/561832671.db2.gz ZOMRDOUXFFTKEB-QZFRTWIZSA-N 0 0 593.790 4.712 1 0 KJAFRN CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000026994145 561832943 /nfs/dbraw/zinc/83/29/43/561832943.db2.gz VDOIRLNHAAJVAF-FRJUPVQCSA-N 0 0 643.854 4.983 1 0 KJAFRN COc1cccc(C[NH2+]C[C@@H](C)n2c(=O)c(-c3cccc(OC)c3)c(C)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000026994275 561833002 /nfs/dbraw/zinc/83/30/02/561833002.db2.gz IFTSZJBFFKLIJT-LJQANCHMSA-N 0 0 535.591 4.680 1 0 KJAFRN CCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026994655 561833043 /nfs/dbraw/zinc/83/30/43/561833043.db2.gz GIBHPOQXJJAOHK-UHFFFAOYSA-N 0 0 575.629 4.740 1 0 KJAFRN CCCCC1=NC2(CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026995728 561833280 /nfs/dbraw/zinc/83/32/80/561833280.db2.gz PNKULEYXNOVYIS-IDISGSTGSA-N 0 0 532.685 4.717 1 0 KJAFRN CCCCC1=NC2(CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026995734 561833292 /nfs/dbraw/zinc/83/32/92/561833292.db2.gz PNKULEYXNOVYIS-KDYSTLNUSA-N 0 0 532.685 4.717 1 0 KJAFRN CCCCC1=NC2(CCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026995740 561833284 /nfs/dbraw/zinc/83/32/84/561833284.db2.gz PNKULEYXNOVYIS-ZBLYBZFDSA-N 0 0 532.685 4.717 1 0 KJAFRN CCCCC1=NC2(CCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026995746 561833236 /nfs/dbraw/zinc/83/32/36/561833236.db2.gz PNKULEYXNOVYIS-JIPXPUAJSA-N 0 0 532.685 4.717 1 0 KJAFRN COc1ccc(N(C)C(=O)CNC(=O)/C=C/c2ccc(NC(C)=O)nc2)c(SC)c1COc1cccc2ccc(C)nc21 ZINC000026996531 561833425 /nfs/dbraw/zinc/83/34/25/561833425.db2.gz LQLXUORFZSRSRP-LFIBNONCSA-N 0 0 599.713 4.999 1 0 KJAFRN COc1ccc(C[NH2+]C[C@@H](C)n2c(=O)c(-c3cccc(OC)c3)c(C)n(Cc3c(F)cccc3F)c2=O)cc1 ZINC000026997452 561833539 /nfs/dbraw/zinc/83/35/39/561833539.db2.gz IFXPGGOXLMDWHJ-LJQANCHMSA-N 0 0 535.591 4.680 1 0 KJAFRN CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000026998243 561833635 /nfs/dbraw/zinc/83/36/35/561833635.db2.gz FWWJGHORTZMPHN-VCXVHRGASA-N 0 0 673.880 4.991 1 0 KJAFRN CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000026998249 561833749 /nfs/dbraw/zinc/83/37/49/561833749.db2.gz FWWJGHORTZMPHN-SDZVROEXSA-N 0 0 673.880 4.991 1 0 KJAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccccc3)c2)c(I)c1)C(=O)[O-] ZINC000027073291 561833822 /nfs/dbraw/zinc/83/38/22/561833822.db2.gz MDFYKDDAWSCCAV-IBGZPJMESA-N 0 0 615.205 4.939 1 0 KJAFRN Cc1c(O)c(=O)ccn1CCOCCOCCOCCOCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000027074428 561834009 /nfs/dbraw/zinc/83/40/09/561834009.db2.gz GBUVHWAQHGQUOI-UHFFFAOYSA-N 0 0 547.733 4.862 1 0 KJAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccccc3O)c2)c(I)c1)C(=O)[O-] ZINC000027074707 561833976 /nfs/dbraw/zinc/83/39/76/561833976.db2.gz PJUORHNMWALYFX-SFHVURJKSA-N 0 0 631.204 4.645 1 0 KJAFRN CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 ZINC000027077175 561834409 /nfs/dbraw/zinc/83/44/09/561834409.db2.gz RBQJPMJMFXCDHW-GDLZYMKVSA-N 0 0 534.616 4.649 1 0 KJAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc(O)cc3)c2)c(I)c1)C(=O)[O-] ZINC000027077597 561834472 /nfs/dbraw/zinc/83/44/72/561834472.db2.gz LJTBZNHRXVKOQK-IBGZPJMESA-N 0 0 631.204 4.645 1 0 KJAFRN CCN(CC)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 ZINC000027077898 561834477 /nfs/dbraw/zinc/83/44/77/561834477.db2.gz DSLWSMXWNQDICW-NDEPHWFRSA-N 0 0 540.668 4.875 1 0 KJAFRN O=C(C[C@H]1O[C@@H](c2ccccc2)O[C@@H](/C=C2\CCOC2=O)[C@@H]1C(=O)Oc1ccccc1)Oc1ccccc1 ZINC000027079267 561834766 /nfs/dbraw/zinc/83/47/66/561834766.db2.gz SBSUVPVCMGUXPG-ZHQCQWLDSA-N 0 0 514.530 4.560 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(F)(F)F ZINC000027080285 561834870 /nfs/dbraw/zinc/83/48/70/561834870.db2.gz ZXWRJIWNWIVBKG-FKBYEOEOSA-N 0 0 543.627 4.521 1 0 KJAFRN O=C(Nc1ccc(NC(=S)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1)c1csnn1 ZINC000027080961 561835028 /nfs/dbraw/zinc/83/50/28/561835028.db2.gz QSFBZWAUGYEUEW-UHFFFAOYSA-N 0 0 506.457 4.710 1 0 KJAFRN N[C@H](C(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1)[C@H]1c2ccccc2C[C@H]1O ZINC000027082603 561835382 /nfs/dbraw/zinc/83/53/82/561835382.db2.gz HXBNHPYCJRDCHY-LVOQXVOVSA-N 0 0 616.802 4.896 1 0 KJAFRN N[C@@H](C(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1)[C@H]1c2ccccc2C[C@H]1O ZINC000027082613 561835444 /nfs/dbraw/zinc/83/54/44/561835444.db2.gz HXBNHPYCJRDCHY-DMIGSCBESA-N 0 0 616.802 4.896 1 0 KJAFRN COc1ccc(NC(=O)Oc2c(OC)cc([C@@H]3c4cc5c(cc4C[C@H]4COC(=O)[C@@H]43)OCO5)cc2OC)cc1 ZINC000027083583 561835601 /nfs/dbraw/zinc/83/56/01/561835601.db2.gz AWAMWCGHLWGGLU-ZCXSQJBPSA-N 0 0 533.533 4.529 1 0 KJAFRN CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)/C(=C/c3ccccn3)[C@@H]2SC1 ZINC000027084087 561835768 /nfs/dbraw/zinc/83/57/68/561835768.db2.gz QCABOKCLGINDLK-NKLXDWDJSA-N 0 0 512.587 4.530 1 0 KJAFRN CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)C[S@@](=O)CC(=O)OCc1ccccc1 ZINC000027084813 561836052 /nfs/dbraw/zinc/83/60/52/561836052.db2.gz INPSHOYTICSHIX-XILKZKBSSA-N 0 0 574.588 4.969 1 0 KJAFRN CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)C[S@](=O)CC(=O)OCc1ccccc1 ZINC000027084820 561835994 /nfs/dbraw/zinc/83/59/94/561835994.db2.gz INPSHOYTICSHIX-GAZSAWIUSA-N 0 0 574.588 4.969 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)Nc1ccc(F)cc1 ZINC000027085582 561836144 /nfs/dbraw/zinc/83/61/44/561836144.db2.gz NRZWAXMYHRHKSR-CSKMKTBNSA-N 0 0 521.497 4.660 1 0 KJAFRN CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)[C@@H](OC(C)=O)C(=O)N(OCc1ccccc1)C(C)=O ZINC000027085996 561836313 /nfs/dbraw/zinc/83/63/13/561836313.db2.gz KWBXGZLAVCHNQR-LOYHVIPDSA-N 0 0 627.583 4.915 1 0 KJAFRN CCc1cc(OCCc2ccc(C(N)=[NH2+])c([O-])c2)cc(OS(=O)(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000027089809 561837090 /nfs/dbraw/zinc/83/70/90/561837090.db2.gz ZTLOVBSFJXSWCF-UHFFFAOYSA-N 0 0 539.437 4.943 1 0 KJAFRN CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(Br)(Br)[C@@H]2SC1 ZINC000027089878 561837116 /nfs/dbraw/zinc/83/71/16/561837116.db2.gz GKEXLTHRGSXZLP-QFIPXVFZSA-N 0 0 581.282 4.538 1 0 KJAFRN CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(Br)(Br)[C@H]2SC1 ZINC000027089884 561837083 /nfs/dbraw/zinc/83/70/83/561837083.db2.gz GKEXLTHRGSXZLP-JOCHJYFZSA-N 0 0 581.282 4.538 1 0 KJAFRN CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(=C(Cl)Cl)[C@@H]2SC1 ZINC000027092292 561837419 /nfs/dbraw/zinc/83/74/19/561837419.db2.gz SAKHNGDSXAICNR-QHCPKHFHSA-N 0 0 504.391 4.741 1 0 KJAFRN CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000027094451 561837726 /nfs/dbraw/zinc/83/77/26/561837726.db2.gz PRVNMMSXHWFZAQ-FQLXRVMXSA-N 0 0 557.691 4.740 1 0 KJAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000027094464 561837722 /nfs/dbraw/zinc/83/77/22/561837722.db2.gz PRVNMMSXHWFZAQ-URLMMPGGSA-N 0 0 557.691 4.740 1 0 KJAFRN CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000027094474 561837739 /nfs/dbraw/zinc/83/77/39/561837739.db2.gz PRVNMMSXHWFZAQ-WDYNHAJCSA-N 0 0 557.691 4.740 1 0 KJAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000027094483 561837704 /nfs/dbraw/zinc/83/77/04/561837704.db2.gz PRVNMMSXHWFZAQ-VMPREFPWSA-N 0 0 557.691 4.740 1 0 KJAFRN O=S1(=O)[C@H](Cc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)[C@H]1Cc1ccccc1 ZINC000027094928 561837851 /nfs/dbraw/zinc/83/78/51/561837851.db2.gz LUOVKNHWLXFGAD-FCJVTMLMSA-N 0 0 572.723 4.530 1 0 investigational KJAFRN Nc1nccc2c1nnn2[C@@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027097113 561838129 /nfs/dbraw/zinc/83/81/29/561838129.db2.gz YHHGVLWPTUGFNK-DTWKUNHWSA-N 0 0 578.004 4.637 1 0 KJAFRN Nc1nccc2c1nnn2[C@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027097121 561838153 /nfs/dbraw/zinc/83/81/53/561838153.db2.gz YHHGVLWPTUGFNK-RKDXNWHRSA-N 0 0 578.004 4.637 1 0 KJAFRN Nc1nccc2c1nnn2[C@@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027097129 561838068 /nfs/dbraw/zinc/83/80/68/561838068.db2.gz YHHGVLWPTUGFNK-IUCAKERBSA-N 0 0 578.004 4.637 1 0 KJAFRN Nc1nccc2c1nnn2[C@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027097134 561838104 /nfs/dbraw/zinc/83/81/04/561838104.db2.gz YHHGVLWPTUGFNK-BDAKNGLRSA-N 0 0 578.004 4.637 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@H](O)C[C@@H]1C ZINC000027099620 291855960 /nfs/dbraw/zinc/85/59/60/291855960.db2.gz FGGPIWICAGRSLN-MIPPTCSDSA-N 0 0 518.647 4.615 1 0 biogenic,in-vitro KJAFRN COC(=O)/C(=C/Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccccc1)COC(=O)c1ccccc1 ZINC000027099998 561838490 /nfs/dbraw/zinc/83/84/90/561838490.db2.gz IBGOEPYVRMSMQR-KOEQRZSOSA-N 0 0 553.571 4.615 1 0 KJAFRN CCCOc1c(OCCCN2CCOCC2)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O ZINC000027100101 561838545 /nfs/dbraw/zinc/83/85/45/561838545.db2.gz MFCFEIVKZWBJRD-UIOOFZCWSA-N 0 0 635.776 4.558 1 0 KJAFRN Nc1ccnc2c1nnn2[C@@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027100526 561838719 /nfs/dbraw/zinc/83/87/19/561838719.db2.gz FXAYREXUCXGENE-DTWKUNHWSA-N 0 0 578.004 4.637 1 0 KJAFRN Nc1ccnc2c1nnn2[C@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027100531 561838713 /nfs/dbraw/zinc/83/87/13/561838713.db2.gz FXAYREXUCXGENE-RKDXNWHRSA-N 0 0 578.004 4.637 1 0 KJAFRN Nc1ccnc2c1nnn2[C@@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027100537 561838725 /nfs/dbraw/zinc/83/87/25/561838725.db2.gz FXAYREXUCXGENE-IUCAKERBSA-N 0 0 578.004 4.637 1 0 KJAFRN Nc1ccnc2c1nnn2[C@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027100542 561838715 /nfs/dbraw/zinc/83/87/15/561838715.db2.gz FXAYREXUCXGENE-BDAKNGLRSA-N 0 0 578.004 4.637 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027104574 561839745 /nfs/dbraw/zinc/83/97/45/561839745.db2.gz BEFLIBGMQADGKE-ORYMTKCHSA-N 0 0 678.900 4.967 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027104580 561839758 /nfs/dbraw/zinc/83/97/58/561839758.db2.gz BEFLIBGMQADGKE-BHSUFKTOSA-N 0 0 678.900 4.967 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CCSc1ccccn1 ZINC000027104584 561839709 /nfs/dbraw/zinc/83/97/09/561839709.db2.gz BEFLIBGMQADGKE-XHPANXIASA-N 0 0 678.900 4.967 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)CCSc1ccccn1 ZINC000027104589 561839732 /nfs/dbraw/zinc/83/97/32/561839732.db2.gz BEFLIBGMQADGKE-QNRWOPMTSA-N 0 0 678.900 4.967 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)CSc1ccccn1 ZINC000027104593 561839724 /nfs/dbraw/zinc/83/97/24/561839724.db2.gz BVZQIUZSCHYLLR-RYTSNQFKSA-N 0 0 664.873 4.576 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CSc1ccccn1 ZINC000027104597 561839740 /nfs/dbraw/zinc/83/97/40/561839740.db2.gz BVZQIUZSCHYLLR-GCXHJFECSA-N 0 0 664.873 4.576 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)CSc1ccccn1 ZINC000027104601 561839702 /nfs/dbraw/zinc/83/97/02/561839702.db2.gz BVZQIUZSCHYLLR-IBHPWDLASA-N 0 0 664.873 4.576 1 0 KJAFRN CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027105055 561839804 /nfs/dbraw/zinc/83/98/04/561839804.db2.gz PKLACMNPILZKAG-DNUNIWOASA-N 0 0 697.968 4.903 1 0 KJAFRN O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)OCc1ccccn1 ZINC000027106966 561840452 /nfs/dbraw/zinc/84/04/52/561840452.db2.gz QMFFUYFALTVNOP-SKXFTCKDSA-N 0 0 674.754 4.640 1 0 KJAFRN Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1 ZINC000027107092 561840423 /nfs/dbraw/zinc/84/04/23/561840423.db2.gz QYYDGLUFMLECTL-AJMLMPJCSA-N 0 0 688.781 4.949 1 0 KJAFRN CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3ccccc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027107097 561840440 /nfs/dbraw/zinc/84/04/40/561840440.db2.gz AFMCIMPHUYMJRM-KMSCUOMXSA-N 0 0 734.024 4.622 1 0 KJAFRN CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3ccccc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027107100 561840425 /nfs/dbraw/zinc/84/04/25/561840425.db2.gz QTLGIAJNRMCFSI-HVRNLMOBSA-N 0 0 720.981 4.707 1 0 KJAFRN O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)OCc1ccccn1 ZINC000027107470 561840587 /nfs/dbraw/zinc/84/05/87/561840587.db2.gz QMFFUYFALTVNOP-KFIZHRIMSA-N 0 0 674.754 4.640 1 0 KJAFRN Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)OCc2ccccn2)cc1 ZINC000027107494 561840544 /nfs/dbraw/zinc/84/05/44/561840544.db2.gz DWMXEZYKPRSNPS-SKXFTCKDSA-N 0 0 673.770 4.517 1 0 KJAFRN CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3ccc(F)cc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027107837 561840579 /nfs/dbraw/zinc/84/05/79/561840579.db2.gz YOTNVZOPRVOLQU-HVRNLMOBSA-N 0 0 738.971 4.846 1 0 KJAFRN Nc1ncnc2c1ncn2[C@@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027107924 561840537 /nfs/dbraw/zinc/84/05/37/561840537.db2.gz YHKUTFKTCZBSAZ-DTWKUNHWSA-N 0 0 578.004 4.637 1 0 KJAFRN Nc1ncnc2c1ncn2[C@H]1CO[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027107927 561840589 /nfs/dbraw/zinc/84/05/89/561840589.db2.gz YHKUTFKTCZBSAZ-RKDXNWHRSA-N 0 0 578.004 4.637 1 0 KJAFRN Nc1ncnc2c1ncn2[C@@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027107930 561840624 /nfs/dbraw/zinc/84/06/24/561840624.db2.gz YHKUTFKTCZBSAZ-IUCAKERBSA-N 0 0 578.004 4.637 1 0 KJAFRN Nc1ncnc2c1ncn2[C@H]1CO[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)C1 ZINC000027107935 561840635 /nfs/dbraw/zinc/84/06/35/561840635.db2.gz YHKUTFKTCZBSAZ-BDAKNGLRSA-N 0 0 578.004 4.637 1 0 KJAFRN O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccno1)OCc1ccccn1 ZINC000027108903 561840814 /nfs/dbraw/zinc/84/08/14/561840814.db2.gz CXGHYCFDLYXAOT-MHDHXZMLSA-N 0 0 633.705 4.952 1 0 KJAFRN COc1cc2c(cc1OCc1ccccc1)N=C[C@@H]1C/C(=C\C(=O)NCCN3C(=O)c4cccc5cccc(c54)C3=O)CN1C2=O ZINC000027109110 561840950 /nfs/dbraw/zinc/84/09/50/561840950.db2.gz YXOLFABICUYOMZ-ZMIGGIFCSA-N 0 0 614.658 4.697 1 0 KJAFRN CC(=O)c1ccc(N2CCN(CC(=O)Nc3nc4cc5nc(NC(=O)CN6CCN(c7ccc(C(C)=O)cc7)CC6)sc5cc4s3)CC2)cc1 ZINC000027109368 561841006 /nfs/dbraw/zinc/84/10/06/561841006.db2.gz GEDXYQSHWAICPQ-UHFFFAOYSA-N 0 0 710.886 4.833 1 0 KJAFRN CC(C)(C)S(=O)(=O)C[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027179363 561841497 /nfs/dbraw/zinc/84/14/97/561841497.db2.gz PKLACMNPILZKAG-MCEBTLFFSA-N 0 0 697.968 4.903 1 0 KJAFRN O=C(N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1c[nH]c2ccccc12 ZINC000027179443 561841460 /nfs/dbraw/zinc/84/14/60/561841460.db2.gz HCKXMTSBKOYSJY-IGBKUBFESA-N 0 0 522.649 4.500 1 0 KJAFRN O=C1NC(=O)C(CSCc2ccc(Br)cc2)(CSCc2ccc(Br)cc2)N1 ZINC000027181299 561841687 /nfs/dbraw/zinc/84/16/87/561841687.db2.gz QFZJFKJFEKSJPP-UHFFFAOYSA-N 0 0 530.307 4.956 1 0 KJAFRN COC(=O)c1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@H](COCc2ccccc2)OCc2ccc(C(=O)OC)cc2)cc1 ZINC000027181480 561841906 /nfs/dbraw/zinc/84/19/06/561841906.db2.gz CUWPFUGPFRXLPE-IYMPVJEUSA-N 0 0 658.744 4.886 1 0 KJAFRN COC(=O)c1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C(=O)OC)cc2)cc1 ZINC000027181486 561841908 /nfs/dbraw/zinc/84/19/08/561841908.db2.gz CUWPFUGPFRXLPE-ACYSOYCRSA-N 0 0 658.744 4.886 1 0 KJAFRN COC(=O)c1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@H](COCc2ccccc2)OCc2ccc(C(=O)OC)cc2)cc1 ZINC000027181492 561841895 /nfs/dbraw/zinc/84/18/95/561841895.db2.gz CUWPFUGPFRXLPE-WLPVSNDTSA-N 0 0 658.744 4.886 1 0 KJAFRN COC(=O)c1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C(=O)OC)cc2)cc1 ZINC000027181498 561841893 /nfs/dbraw/zinc/84/18/93/561841893.db2.gz CUWPFUGPFRXLPE-NWJWHWDBSA-N 0 0 658.744 4.886 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)NCc2ccccc2)CC2CCCC2)cc1 ZINC000027182092 561841867 /nfs/dbraw/zinc/84/18/67/561841867.db2.gz VECYTROZXMZSFL-LJAQVGFWSA-N 0 0 579.763 4.692 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12 ZINC000027182913 561842029 /nfs/dbraw/zinc/84/20/29/561842029.db2.gz LNXGWXIKJNGNOY-POLDFPFKSA-N 0 0 536.676 4.843 1 0 KJAFRN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2nc3cc4nc(NC(=O)CN5C[C@H](C)C[C@H](C)C5)sc4cc3s2)C1 ZINC000027184053 561842161 /nfs/dbraw/zinc/84/21/61/561842161.db2.gz IITMPFUJXRCRPM-USTZCAOPSA-N 0 0 528.748 4.739 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)OCc2cncs2)CC2CCCC2)cc1 ZINC000027185542 561842461 /nfs/dbraw/zinc/84/24/61/561842461.db2.gz QCXXEOOAFAENRQ-VWLOTQADSA-N 0 0 587.764 4.575 1 0 KJAFRN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2cc3nc(NC(=O)CN4CCN(c5ccc(F)cc5)CC4)sc3cc2s1 ZINC000027185599 561842553 /nfs/dbraw/zinc/84/25/53/561842553.db2.gz HMEISWMOFPVMBG-UHFFFAOYSA-N 0 0 662.792 4.706 1 0 KJAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)N[C@H](c2ccccc2)C(C)C)cc1 ZINC000027185912 561842538 /nfs/dbraw/zinc/84/25/38/561842538.db2.gz DASGRKPWAFYAFD-QIJSHVLRSA-N 0 0 530.621 4.779 1 0 KJAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1 ZINC000027185918 561842535 /nfs/dbraw/zinc/84/25/35/561842535.db2.gz DASGRKPWAFYAFD-MCILKKLMSA-N 0 0 530.621 4.779 1 0 KJAFRN Cc1cc(N)cc(C)c1SCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12 ZINC000027187929 561842932 /nfs/dbraw/zinc/84/29/32/561842932.db2.gz FKIYYMDJPJWJPG-AOFUFZEESA-N 0 0 633.811 4.555 1 0 KJAFRN Cc1cc(N)cc(C)c1SCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]12 ZINC000027187936 561842912 /nfs/dbraw/zinc/84/29/12/561842912.db2.gz FKIYYMDJPJWJPG-DUKGAESRSA-N 0 0 633.811 4.555 1 0 KJAFRN Cc1cc(N)cc(C)c1SCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@@H]12 ZINC000027187941 561842920 /nfs/dbraw/zinc/84/29/20/561842920.db2.gz FKIYYMDJPJWJPG-HWKKFYSMSA-N 0 0 633.811 4.555 1 0 KJAFRN Cc1cc(N)cc(C)c1SCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000027187949 561842945 /nfs/dbraw/zinc/84/29/45/561842945.db2.gz FKIYYMDJPJWJPG-SPRQWYLLSA-N 0 0 633.811 4.555 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)OCc2ccncc2)CC2CCCC2)cc1 ZINC000027188022 561843043 /nfs/dbraw/zinc/84/30/43/561843043.db2.gz RRAUHAGIBVIQQP-NDEPHWFRSA-N 0 0 581.735 4.514 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)OCc2cccnc2)CC2CCCC2)cc1 ZINC000027188541 561843047 /nfs/dbraw/zinc/84/30/47/561843047.db2.gz HPEVCYWOILVYJW-NDEPHWFRSA-N 0 0 581.735 4.514 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)O[C@@H]2CCCSC2)CC2CCCC2)cc1 ZINC000027188854 561843094 /nfs/dbraw/zinc/84/30/94/561843094.db2.gz FNAOYCAQGJSKSQ-XTEPFMGCSA-N 0 0 590.808 4.814 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)O[C@H]2CCCSC2)CC2CCCC2)cc1 ZINC000027188860 561843081 /nfs/dbraw/zinc/84/30/81/561843081.db2.gz FNAOYCAQGJSKSQ-XCZPVHLTSA-N 0 0 590.808 4.814 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)OC(C)(C)C)CC2CCCC2)cc1 ZINC000027189420 561843262 /nfs/dbraw/zinc/84/32/62/561843262.db2.gz NLOINIFRWVELMB-VWLOTQADSA-N 0 0 546.730 4.717 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2ccccc2)CC2CCCC2)cc1 ZINC000027189517 561843333 /nfs/dbraw/zinc/84/33/33/561843333.db2.gz ZUOLTJOTYNLDSA-LJAQVGFWSA-N 0 0 564.748 4.551 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)Cc2cccc(O)c2C)CC2CCCC2)cc1 ZINC000027190596 561843450 /nfs/dbraw/zinc/84/34/50/561843450.db2.gz JDIRUGMVMRZIOA-LJAQVGFWSA-N 0 0 594.774 4.565 1 0 KJAFRN COC(=O)c1ccc(COC[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H](COCc2ccc(C(=O)OC)cc2)OCc2ccccc2)cc1 ZINC000027191915 561843614 /nfs/dbraw/zinc/84/36/14/561843614.db2.gz KCVGKHMVTMBGSD-WLPVSNDTSA-N 0 0 658.744 4.886 1 0 KJAFRN Cc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@@H]3OCC[C@H]23)c(C)c1 ZINC000027192052 561843654 /nfs/dbraw/zinc/84/36/54/561843654.db2.gz LWCAUTOYSFMIRQ-WSZXMCGYSA-N 0 0 616.755 4.568 1 0 KJAFRN Cc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]23)c(C)c1 ZINC000027192063 561843656 /nfs/dbraw/zinc/84/36/56/561843656.db2.gz LWCAUTOYSFMIRQ-RPKZYHJXSA-N 0 0 616.755 4.568 1 0 KJAFRN Cc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@@H]3OCC[C@@H]23)c(C)c1 ZINC000027192068 561843652 /nfs/dbraw/zinc/84/36/52/561843652.db2.gz LWCAUTOYSFMIRQ-ZABOXFJKSA-N 0 0 616.755 4.568 1 0 KJAFRN Cc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)c(C)c1 ZINC000027192079 561843641 /nfs/dbraw/zinc/84/36/41/561843641.db2.gz LWCAUTOYSFMIRQ-ZXUQFUFLSA-N 0 0 616.755 4.568 1 0 KJAFRN CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000027192987 561843861 /nfs/dbraw/zinc/84/38/61/561843861.db2.gz JPBZOZDHBRRLBM-LFOKJVLGSA-N 0 0 516.594 4.775 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN(CCc2ccccc2)C(=O)Oc2ccccc2)CC2CCCC2)cc1 ZINC000027193821 561843983 /nfs/dbraw/zinc/84/39/83/561843983.db2.gz FHBWTMUSDPDZRJ-MHZLTWQESA-N 0 0 566.720 4.981 1 0 KJAFRN CCC[C@@H](NC(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027195965 561844223 /nfs/dbraw/zinc/84/42/23/561844223.db2.gz NSROWKBSRVFCCQ-WKWAFRKPSA-N 0 0 530.621 4.923 1 0 KJAFRN CCC[C@H](NC(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027195972 561844272 /nfs/dbraw/zinc/84/42/72/561844272.db2.gz NSROWKBSRVFCCQ-FGMVWKIJSA-N 0 0 530.621 4.923 1 0 KJAFRN CC[C@@H](NC(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027196450 561844441 /nfs/dbraw/zinc/84/44/41/561844441.db2.gz ZWURMMRAUYXFRY-CGWFDZAZSA-N 0 0 516.594 4.533 1 0 KJAFRN CC[C@H](NC(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027196454 561844381 /nfs/dbraw/zinc/84/43/81/561844381.db2.gz ZWURMMRAUYXFRY-MVJSRWOSSA-N 0 0 516.594 4.533 1 0 KJAFRN CC[C@]1(OC(=O)COc2ccc(OC)cc2)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1COC(=O)COc1ccc(OC)cc1 ZINC000027196717 561844354 /nfs/dbraw/zinc/84/43/54/561844354.db2.gz FJOIDYWGCYDJJE-KDXMTYKHSA-N 0 0 706.704 4.849 1 0 KJAFRN CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4c(Cl)c(Cl)nc(Cl)c4Cl)CC3)c(F)c2)C(=O)O1 ZINC000027197216 561844516 /nfs/dbraw/zinc/84/45/16/561844516.db2.gz RSXDKOQLWPVOPQ-ZDUSSCGKSA-N 0 0 551.233 4.622 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)nc1)C(C1CCCCC1)C1CCCCC1 ZINC000027199218 561844756 /nfs/dbraw/zinc/84/47/56/561844756.db2.gz IFZNRMMNIPIRFG-RPLLCQBOSA-N 0 0 555.764 4.941 1 0 KJAFRN CCC(=O)O[C@]1(C(=O)SCCl)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000027199845 561844935 /nfs/dbraw/zinc/84/49/35/561844935.db2.gz MVLBCBPGBUAVJQ-ZEVWSBCOSA-N 0 0 517.034 4.699 1 0 KJAFRN CCC(=O)O[C@]1(C(=O)SCCl)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000027199851 561844875 /nfs/dbraw/zinc/84/48/75/561844875.db2.gz MVLBCBPGBUAVJQ-GGOSIYQFSA-N 0 0 517.034 4.699 1 0 KJAFRN CCC(=O)O[C@]1(C(=O)SCCl)[C@H](C)C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000027199856 561844920 /nfs/dbraw/zinc/84/49/20/561844920.db2.gz MVLBCBPGBUAVJQ-ZDLPRPPBSA-N 0 0 517.034 4.699 1 0 KJAFRN CCCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000027203320 561845480 /nfs/dbraw/zinc/84/54/80/561845480.db2.gz WIUUJIDRWYHRMX-WENLNEGSSA-N 0 0 514.606 4.820 1 0 KJAFRN CCCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000027203329 561845444 /nfs/dbraw/zinc/84/54/44/561845444.db2.gz WIUUJIDRWYHRMX-IDDHXTCWSA-N 0 0 514.606 4.820 1 0 KJAFRN CCCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000027203335 561845474 /nfs/dbraw/zinc/84/54/74/561845474.db2.gz WIUUJIDRWYHRMX-KIQISVLSSA-N 0 0 514.606 4.820 1 0 KJAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000027205092 561845821 /nfs/dbraw/zinc/84/58/21/561845821.db2.gz PSNOPSMXOBPNNV-OFWIHYRESA-N 0 0 655.188 4.734 1 0 KJAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000027205106 561845851 /nfs/dbraw/zinc/84/58/51/561845851.db2.gz PSNOPSMXOBPNNV-VVCTWANISA-N 0 0 655.188 4.734 1 0 in-vitro KJAFRN CCC(=O)O[C@]1(C(=O)SCBr)[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 ZINC000027206820 561846078 /nfs/dbraw/zinc/84/60/78/561846078.db2.gz IKKDNCNDNMOVNM-YLHUGRMWSA-N 0 0 543.495 4.907 1 0 KJAFRN CCC(=O)O[C@]1(C(=O)SCBr)[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 ZINC000027206830 561846136 /nfs/dbraw/zinc/84/61/36/561846136.db2.gz IKKDNCNDNMOVNM-TYUFNTDUSA-N 0 0 543.495 4.907 1 0 KJAFRN CCC(=O)O[C@]1(C(=O)SCBr)[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 ZINC000027206835 561846096 /nfs/dbraw/zinc/84/60/96/561846096.db2.gz IKKDNCNDNMOVNM-ZOQAIDMISA-N 0 0 543.495 4.907 1 0 KJAFRN CCCCS(=O)(=O)CCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1OC ZINC000027207813 561846364 /nfs/dbraw/zinc/84/63/64/561846364.db2.gz NNLTVKMGUPESIA-UHFFFAOYSA-N 0 0 599.754 4.764 1 0 KJAFRN CC[C@]1(OC(=O)COc2ccc(OC)cc2)c2cc3n(c(=O)c2COC1=O)Cc1cc2cc(OC(=O)COc4ccc(OC)cc4)ccc2nc1-3 ZINC000027207878 561846339 /nfs/dbraw/zinc/84/63/39/561846339.db2.gz LBZMFBYLHPRGOF-LHEWISCISA-N 0 0 692.677 4.711 1 0 KJAFRN CCN(C(C)=O)[C@@H](C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)NCc2ccccn2)Cc2ccc(Cl)cc2)CC1 ZINC000027208673 561846554 /nfs/dbraw/zinc/84/65/54/561846554.db2.gz MQDWNUOFEDWNSO-IGKIAQTJSA-N 0 0 590.168 4.878 1 0 KJAFRN CCN(C(C)=O)[C@H](C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)NCc2ccccn2)Cc2ccc(Cl)cc2)CC1 ZINC000027208677 561846609 /nfs/dbraw/zinc/84/66/09/561846609.db2.gz MQDWNUOFEDWNSO-SQHAQQRYSA-N 0 0 590.168 4.878 1 0 KJAFRN COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OCCOC ZINC000027208779 561846545 /nfs/dbraw/zinc/84/65/45/561846545.db2.gz UDXGWXKIXRVGSP-UHFFFAOYSA-N 0 0 573.650 4.827 1 0 KJAFRN COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5cccc6c5CCN6)cc4)CC3)c2cc1OCCOC ZINC000027208782 561846570 /nfs/dbraw/zinc/84/65/70/561846570.db2.gz JEHGWHWSGLKJKF-UHFFFAOYSA-N 0 0 614.703 4.795 1 0 KJAFRN COc1cc2c(cc1OCCCS(=O)(=O)CC(C)C)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027209046 561846664 /nfs/dbraw/zinc/84/66/64/561846664.db2.gz KYKHCOJWGFWADS-UHFFFAOYSA-N 0 0 599.754 4.619 1 0 KJAFRN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027209192 561846658 /nfs/dbraw/zinc/84/66/58/561846658.db2.gz QVIHZJMBDWSNCP-OFVILXPXSA-N 0 0 594.590 4.881 1 0 KJAFRN CC[C@@]1(OC(=O)COc2ccc(F)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC(=O)COc4ccc(F)cc4)ccc3nc2-1 ZINC000027209993 561846972 /nfs/dbraw/zinc/84/69/72/561846972.db2.gz PWRDCYAXPCFLGI-BHVANESWSA-N 0 0 668.605 4.972 1 0 KJAFRN CCC(=O)O[C@]1(C(=O)SCI)[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 ZINC000027210485 561847050 /nfs/dbraw/zinc/84/70/50/561847050.db2.gz ORHPIYWJUUELDF-YLHUGRMWSA-N 0 0 590.495 4.948 1 0 KJAFRN CCC(=O)O[C@]1(C(=O)SCI)[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 ZINC000027210490 561847053 /nfs/dbraw/zinc/84/70/53/561847053.db2.gz ORHPIYWJUUELDF-TYUFNTDUSA-N 0 0 590.495 4.948 1 0 KJAFRN CCC(=O)O[C@]1(C(=O)SCI)[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 ZINC000027210493 561847077 /nfs/dbraw/zinc/84/70/77/561847077.db2.gz ORHPIYWJUUELDF-ZOQAIDMISA-N 0 0 590.495 4.948 1 0 KJAFRN Cc1c(=O)c2cccc(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)c2oc1-c1ccccc1 ZINC000027210812 561847159 /nfs/dbraw/zinc/84/71/59/561847159.db2.gz OTPCOGQCPMOGMX-UHFFFAOYSA-N 0 0 600.672 4.688 1 0 KJAFRN CCN(C(C)=O)[C@@H](C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)NC2CCC2)Cc2ccc(Cl)cc2)CC1 ZINC000027211028 561847220 /nfs/dbraw/zinc/84/72/20/561847220.db2.gz PIOINJDBOJEISJ-DHLKQENFSA-N 0 0 553.147 4.836 1 0 KJAFRN CCN(C(C)=O)[C@H](C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)NC2CCC2)Cc2ccc(Cl)cc2)CC1 ZINC000027211032 561847174 /nfs/dbraw/zinc/84/71/74/561847174.db2.gz PIOINJDBOJEISJ-RDGATRHJSA-N 0 0 553.147 4.836 1 0 KJAFRN COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000027211213 561847200 /nfs/dbraw/zinc/84/72/00/561847200.db2.gz XHNUHPRFVQHTBU-GTONHGGDSA-N 0 0 545.724 4.987 1 0 KJAFRN COc1cc2c(cc1OCCCS(=O)(=O)CC(F)(F)F)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027212204 561847480 /nfs/dbraw/zinc/84/74/80/561847480.db2.gz BEJDIUNIXMJSJK-UHFFFAOYSA-N 0 0 625.670 4.526 1 0 KJAFRN Cc1cc(NC(=O)Cc2ccc3[nH]c(-c4ccc(Br)s4)nc3c2)ccc1N1CCOCC1=O ZINC000027212316 561847482 /nfs/dbraw/zinc/84/74/82/561847482.db2.gz GEIOUZHNIQBXPT-UHFFFAOYSA-N 0 0 525.428 4.907 1 0 KJAFRN O=C(NCc1ccccc1)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027213125 561847687 /nfs/dbraw/zinc/84/76/87/561847687.db2.gz SAHAPURYDVSJFH-CZNDPXEESA-N 0 0 651.211 4.752 1 0 KJAFRN CCN(C(C)=O)[C@@H](C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)N2CCSC2)Cc2ccc(Cl)cc2)CC1 ZINC000027213205 561847646 /nfs/dbraw/zinc/84/76/46/561847646.db2.gz WKPXQIOZJNCBHS-DHLKQENFSA-N 0 0 571.187 4.700 1 0 KJAFRN CCN(C(C)=O)[C@H](C)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)N2CCSC2)Cc2ccc(Cl)cc2)CC1 ZINC000027213210 561847672 /nfs/dbraw/zinc/84/76/72/561847672.db2.gz WKPXQIOZJNCBHS-RDGATRHJSA-N 0 0 571.187 4.700 1 0 KJAFRN CC(C)C[C@H](O)[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)c1cc(NC(=O)CSc2ccccc2)ccc1CO ZINC000027213573 561847692 /nfs/dbraw/zinc/84/76/92/561847692.db2.gz JTRKKTUSJULPCC-XQFUHLNNSA-N 0 0 542.742 4.746 1 0 KJAFRN CC(C)C[C@H](O)[C@H](O)[C@@H](CC1CCCCC1)NC(=O)c1cc(NC(=O)CSc2ccccc2)ccc1CO ZINC000027213583 561847669 /nfs/dbraw/zinc/84/76/69/561847669.db2.gz JTRKKTUSJULPCC-IUAQSZDVSA-N 0 0 542.742 4.746 1 0 KJAFRN CC(C)(C)CC(=O)N1CCN(C(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(c3ccccc3N(CC3CC3)S(C)(=O)=O)CC2)CC1 ZINC000027215952 561848422 /nfs/dbraw/zinc/84/84/22/561848422.db2.gz OSIKZXMAWQMSAN-LJAQVGFWSA-N 0 0 700.346 4.521 1 0 KJAFRN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027300104 561848919 /nfs/dbraw/zinc/84/89/19/561848919.db2.gz SXAQPWCQXJRDTE-MBSDFSHPSA-N 0 0 557.430 4.762 1 0 KJAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ncccc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000027300157 561848913 /nfs/dbraw/zinc/84/89/13/561848913.db2.gz PPXJVZJWVHFFJW-RUZDIDTESA-N 0 0 526.862 4.843 1 0 KJAFRN O=C([O-])[C@H](CNC(=O)C1=NOC2(C1)CCC(CNc1[nH]cc[nH+]1)CC2)S(=O)(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl ZINC000027304461 561849371 /nfs/dbraw/zinc/84/93/71/561849371.db2.gz MANPFXQOUPQAJD-BOAIRFLBSA-N 0 0 634.542 4.544 1 0 KJAFRN Cc1cccc(C)c1C(=O)OCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000027305308 561849487 /nfs/dbraw/zinc/84/94/87/561849487.db2.gz AYNYFXWABGQLFZ-LITSAYRRSA-N 0 0 544.648 4.708 1 0 KJAFRN Cc1cccc(C)c1C(=O)OCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000027305313 561849526 /nfs/dbraw/zinc/84/95/26/561849526.db2.gz AYNYFXWABGQLFZ-WNJJXGMVSA-N 0 0 544.648 4.708 1 0 KJAFRN Cc1cccc(C)c1C(=O)OCC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000027305318 561849469 /nfs/dbraw/zinc/84/94/69/561849469.db2.gz AYNYFXWABGQLFZ-GGXMVOPNSA-N 0 0 544.648 4.708 1 0 KJAFRN Cc1cccc(C)c1C(=O)OCC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000027305324 561849524 /nfs/dbraw/zinc/84/95/24/561849524.db2.gz AYNYFXWABGQLFZ-UHSQPCAPSA-N 0 0 544.648 4.708 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc5cc(F)ccc5c4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027306877 561849763 /nfs/dbraw/zinc/84/97/63/561849763.db2.gz XOJKCJFUGRMMCA-UHFFFAOYSA-N 0 0 666.179 4.943 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc(Cl)c(Cl)c4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027307039 561849820 /nfs/dbraw/zinc/84/98/20/561849820.db2.gz JYTKRJQLAIQQAH-UHFFFAOYSA-N 0 0 667.019 4.957 1 0 KJAFRN C[C@H]1N(C(=O)c2ccc(OCC(F)(F)C(F)F)cc2)CC(=O)O[C@@]1(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000027307266 561849843 /nfs/dbraw/zinc/84/98/43/561849843.db2.gz ZBNYFGJTAOBBFT-QKFKETGDSA-N 0 0 575.346 4.847 1 0 KJAFRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)O[C@@H]1c3c(ccc4ccc(=O)oc43)OC(C)(C)[C@H]1OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O ZINC000027308213 561850065 /nfs/dbraw/zinc/85/00/65/561850065.db2.gz ZJIDTNTWJHYPGM-IYHRSZJDSA-N 0 0 622.667 4.704 1 0 KJAFRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)O[C@H]1c3c(ccc4ccc(=O)oc43)OC(C)(C)[C@H]1OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O ZINC000027308219 561850079 /nfs/dbraw/zinc/85/00/79/561850079.db2.gz ZJIDTNTWJHYPGM-IXRZAXBFSA-N 0 0 622.667 4.704 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cc5cccc(Cl)c5s4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027308758 561850237 /nfs/dbraw/zinc/85/02/37/561850237.db2.gz SMUITYSTPAZSGV-UHFFFAOYSA-N 0 0 648.189 4.804 1 0 KJAFRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F ZINC000027309929 561850456 /nfs/dbraw/zinc/85/04/56/561850456.db2.gz XYJLVFZJCQLUAJ-DTXPUJKBSA-N 0 0 663.718 4.750 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCc1ccccn1 ZINC000027310038 561850439 /nfs/dbraw/zinc/85/04/39/561850439.db2.gz AKBNQUGXOSBNBK-UHFFFAOYSA-N 0 0 633.134 4.541 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc5cc6c(cc5c4Cl)OCO6)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027310092 561850463 /nfs/dbraw/zinc/85/04/63/561850463.db2.gz MUEVFTPBXALGJE-UHFFFAOYSA-N 0 0 692.198 4.533 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc5ccccc5c4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027310103 561850485 /nfs/dbraw/zinc/85/04/85/561850485.db2.gz BCQPTFKRJMCISS-UHFFFAOYSA-N 0 0 648.189 4.804 1 0 KJAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(OC)c1 ZINC000027310497 561850608 /nfs/dbraw/zinc/85/06/08/561850608.db2.gz AMGMEJZMJQUMLN-WVLFPKRMSA-N 0 0 540.657 4.703 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(C)C)C(=O)c1nc2ccccc2o1 ZINC000027310607 561850581 /nfs/dbraw/zinc/85/05/81/561850581.db2.gz DAMLCBPLXOENIO-URORMMCBSA-N 0 0 618.731 4.552 1 0 KJAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1 ZINC000027311349 561850809 /nfs/dbraw/zinc/85/08/09/561850809.db2.gz HULMQJODVHUYNK-FQNJNTOFSA-N 0 0 528.621 4.833 1 0 KJAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccc1)C2 ZINC000027312848 561851080 /nfs/dbraw/zinc/85/10/80/561851080.db2.gz SOFJTVINDOUOCN-YHZWXPKMSA-N 0 0 520.739 4.850 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2cc(Cl)ccc2o1 ZINC000027313468 561851165 /nfs/dbraw/zinc/85/11/65/561851165.db2.gz IZPXYJOYMAAJJN-HVCNVCAESA-N 0 0 583.085 4.747 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCC(F)(F)CC1 ZINC000027313616 561851187 /nfs/dbraw/zinc/85/11/87/561851187.db2.gz RPPVJVCQOYZPGW-UHFFFAOYSA-N 0 0 675.162 4.635 1 0 KJAFRN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027315304 561851506 /nfs/dbraw/zinc/85/15/06/561851506.db2.gz SXAQPWCQXJRDTE-WZONZLPQSA-N 0 0 557.430 4.762 1 0 KJAFRN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027315311 561851501 /nfs/dbraw/zinc/85/15/01/561851501.db2.gz SXAQPWCQXJRDTE-JPYJTQIMSA-N 0 0 557.430 4.762 1 0 KJAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F ZINC000027316378 561851744 /nfs/dbraw/zinc/85/17/44/561851744.db2.gz RGLURHWFUZHCDS-IZZNHLLZSA-N 0 0 566.601 4.759 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F ZINC000027316384 561851778 /nfs/dbraw/zinc/85/17/78/561851778.db2.gz RGLURHWFUZHCDS-UIOOFZCWSA-N 0 0 566.601 4.759 1 0 KJAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F ZINC000027316390 561851781 /nfs/dbraw/zinc/85/17/81/561851781.db2.gz RGLURHWFUZHCDS-CLJLJLNGSA-N 0 0 566.601 4.759 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)COC(=O)c1c(F)cccc1F ZINC000027316394 561851722 /nfs/dbraw/zinc/85/17/22/561851722.db2.gz RGLURHWFUZHCDS-FTJBHMTQSA-N 0 0 566.601 4.759 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)NS(=O)(=O)c2cccc3cnccc32)CC1 ZINC000027317202 561851952 /nfs/dbraw/zinc/85/19/52/561851952.db2.gz FZUZUIFNFGADKM-WJOKGBTCSA-N 0 0 731.853 4.520 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)NS(=O)(=O)c2cccc3cnccc32)CC1 ZINC000027317208 561851926 /nfs/dbraw/zinc/85/19/26/561851926.db2.gz FZUZUIFNFGADKM-HKBQPEDESA-N 0 0 731.853 4.520 1 0 KJAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)NC1CCCCC1)C2 ZINC000027317328 561851938 /nfs/dbraw/zinc/85/19/38/561851938.db2.gz VKDQHJQLVZHQNK-GTTXMTDLSA-N 0 0 555.785 4.566 1 0 KJAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1ccccc1)C2 ZINC000027317979 561852068 /nfs/dbraw/zinc/85/20/68/561852068.db2.gz OWCYZMRCKVMNDM-MQRABVPWSA-N 0 0 506.712 4.921 1 0 KJAFRN Cc1oc(=O)oc1COC(=O)N=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NC(=O)OCc4oc(=O)oc4C)cc3)o2)cc1 ZINC000027318459 561852186 /nfs/dbraw/zinc/85/21/86/561852186.db2.gz VCDITGCISZZAFY-UHFFFAOYSA-N 0 0 616.539 4.826 1 0 KJAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1cccs1)C2 ZINC000027320373 561852439 /nfs/dbraw/zinc/85/24/39/561852439.db2.gz IVMBPHOMCIWUHC-RASJMTDNSA-N 0 0 512.741 4.983 1 0 KJAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1ccccc1)C2 ZINC000027321768 561852771 /nfs/dbraw/zinc/85/27/71/561852771.db2.gz SOFJTVINDOUOCN-LMGPPYNSSA-N 0 0 520.739 4.850 1 0 KJAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccccc1)C2 ZINC000027321965 561852738 /nfs/dbraw/zinc/85/27/38/561852738.db2.gz QFWZTWHBJJQSER-WHODAWOQSA-N 0 0 548.749 4.754 1 0 KJAFRN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1c[nH]cn1 ZINC000027322669 561853009 /nfs/dbraw/zinc/85/30/09/561853009.db2.gz FTEHUKIZKTWEGZ-GTYVPEOJSA-N 0 0 538.758 4.524 1 0 KJAFRN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1c[nH]cn1 ZINC000027322675 561853020 /nfs/dbraw/zinc/85/30/20/561853020.db2.gz FTEHUKIZKTWEGZ-DYJNQNCASA-N 0 0 538.758 4.524 1 0 KJAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1cccnc1)C2 ZINC000027322877 561852980 /nfs/dbraw/zinc/85/29/80/561852980.db2.gz SPKUKHYFTMXAGU-YHZWXPKMSA-N 0 0 535.754 4.635 1 0 KJAFRN CC(=O)O[C@H](C)OC(=O)N=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NC(=O)O[C@@H](C)OC(C)=O)cc3)o2)cc1 ZINC000027323226 561853008 /nfs/dbraw/zinc/85/30/08/561853008.db2.gz AXPIQFHFCANLGM-ROUUACIJSA-N 0 0 564.551 4.535 1 0 KJAFRN Cc1cnc2cccc(OCc3c(C)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3C)c2n1 ZINC000027323477 561853107 /nfs/dbraw/zinc/85/31/07/561853107.db2.gz LJFLJRTZNKPNKB-GHRIWEEISA-N 0 0 565.674 4.628 1 0 KJAFRN COc1ccc([C@@]2(Cc3ccncc3)CCN(S(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC1CCCC1 ZINC000027326532 561853727 /nfs/dbraw/zinc/85/37/27/561853727.db2.gz OKGMHDVECIFLJL-LJAQVGFWSA-N 0 0 520.651 4.822 1 0 KJAFRN COc1ccc([C@]2(Cc3ccncc3)CCN(S(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC1CCCC1 ZINC000027326536 561853694 /nfs/dbraw/zinc/85/36/94/561853694.db2.gz OKGMHDVECIFLJL-GDLZYMKVSA-N 0 0 520.651 4.822 1 0 KJAFRN CCC(C)(C)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C ZINC000027326821 561853823 /nfs/dbraw/zinc/85/38/23/561853823.db2.gz XESDRRBNSZCYRY-XGJRVREISA-N 0 0 542.786 4.877 1 0 KJAFRN O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(/C=C/C(=O)N2CCOCC2)c1)N1CCOCC1 ZINC000027327239 561853905 /nfs/dbraw/zinc/85/39/05/561853905.db2.gz DBWBQUPSYRGPEI-ZESFLVPWSA-N 0 0 533.477 4.889 1 0 KJAFRN COc1nc2c(cccc2OCc2c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c3ccc(C(=O)N(C)C)cc3)c2Cl)n1C ZINC000027327510 561853950 /nfs/dbraw/zinc/85/39/50/561853950.db2.gz AZGZSEGUTUYBMW-LFIBNONCSA-N 0 0 624.525 4.962 1 0 KJAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000027328151 561854231 /nfs/dbraw/zinc/85/42/31/561854231.db2.gz KBKMKYDYLPDZRC-IYNKZWNQSA-N 0 0 529.681 4.740 1 0 KJAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000027328155 561854185 /nfs/dbraw/zinc/85/41/85/561854185.db2.gz KBKMKYDYLPDZRC-YOJJLXHJSA-N 0 0 529.681 4.740 1 0 KJAFRN O=c1n(CCCN2CCN(c3ccccc3)CC2)nc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 ZINC000027328864 561854240 /nfs/dbraw/zinc/85/42/40/561854240.db2.gz XHXJICPUIQEZRG-UHFFFAOYSA-N 0 0 547.490 4.904 1 0 KJAFRN O=S(=O)(c1ccc(-c2ccnc(Nc3ccc(-c4ccc5ncsc5c4)cc3)n2)cc1)N1CCNCC1 ZINC000027331343 561855055 /nfs/dbraw/zinc/85/50/55/561855055.db2.gz GEAPVWOLRPIXJU-UHFFFAOYSA-N 0 0 528.663 4.758 1 0 KJAFRN CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc43)c2C)cn1 ZINC000027406067 561855433 /nfs/dbraw/zinc/85/54/33/561855433.db2.gz MUHLSBVPVCEFEY-FOWTUZBSSA-N 0 0 551.647 4.885 1 0 KJAFRN CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(Cl)cc3Cl)c(/C=C/C(=O)N3CCOCC3)c2)CC1 ZINC000027406294 561855434 /nfs/dbraw/zinc/85/54/34/561855434.db2.gz ZPXKJZQGXVVZMR-BQYBEJQRSA-N 0 0 574.530 4.721 1 0 KJAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cn1 ZINC000027406295 561855430 /nfs/dbraw/zinc/85/54/30/561855430.db2.gz OXYBCJCMVFUWFE-YRNVUSSQSA-N 0 0 660.356 4.838 1 0 KJAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc43)c2Cl)cn1 ZINC000027406299 561855410 /nfs/dbraw/zinc/85/54/10/561855410.db2.gz XDXCCLNKCOVRHK-NTEUORMPSA-N 0 0 592.483 4.976 1 0 KJAFRN O=C(NCCCN1CCCC1=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000027406589 561855556 /nfs/dbraw/zinc/85/55/56/561855556.db2.gz NBIJNEIRMUSSTN-UHFFFAOYSA-N 0 0 531.482 4.776 1 0 KJAFRN Nc1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4cnccn4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000027406787 561855643 /nfs/dbraw/zinc/85/56/43/561855643.db2.gz MZJFSOKHVVULFM-IHIHPJAWSA-N 0 0 642.760 4.693 1 0 KJAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COCc3cccc(C)n3)c2Cl)cc1 ZINC000027407238 561855752 /nfs/dbraw/zinc/85/57/52/561855752.db2.gz ZMLXJDYPBYYZKW-NTEUORMPSA-N 0 0 555.462 4.566 1 0 KJAFRN O=c1c2c([nH]c3ccccc31)[C@H](c1ccc3c(c1)CCO3)N(c1ncc(-c3ccc(OCCN4CCOCC4)cc3)cn1)C2 ZINC000027408637 561856040 /nfs/dbraw/zinc/85/60/40/561856040.db2.gz FLQFFIKNQRJCOA-XIFFEERXSA-N 0 0 587.680 4.741 1 0 KJAFRN O=c1c2c([nH]c3ccccc31)[C@@H](c1ccc3c(c1)CCO3)N(c1ncc(-c3ccc(OCCN4CCOCC4)cc3)cn1)C2 ZINC000027408641 561855999 /nfs/dbraw/zinc/85/59/99/561855999.db2.gz FLQFFIKNQRJCOA-MGBGTMOVSA-N 0 0 587.680 4.741 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=S)C[C@@H]12 ZINC000027411524 561856392 /nfs/dbraw/zinc/85/63/92/561856392.db2.gz OVFVVPNJKQOVDQ-ZNZIZOMTSA-N 0 0 575.735 4.906 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=S)C[C@H]12 ZINC000027417996 561857313 /nfs/dbraw/zinc/85/73/13/561857313.db2.gz OVFVVPNJKQOVDQ-KKUQBAQOSA-N 0 0 575.735 4.906 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027419658 561857565 /nfs/dbraw/zinc/85/75/65/561857565.db2.gz ZJBUCZFZQXPYFC-WWBLVGAFSA-N 0 0 544.692 4.507 1 0 KJAFRN CO[C@@H]1C[C@H]2[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C(=O)N1Cc1ccccc1 ZINC000027419682 561857573 /nfs/dbraw/zinc/85/75/73/561857573.db2.gz LRFJEKQGCQEJLY-WXIAYYLYSA-N 0 0 575.710 4.551 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)CC[C@@H]12 ZINC000027419696 561857587 /nfs/dbraw/zinc/85/75/87/561857587.db2.gz IMWMUTIUKLDZRB-PVHODMMVSA-N 0 0 545.684 4.579 1 0 KJAFRN O=c1[nH]c(=O)n(/C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1I ZINC000027422516 561857811 /nfs/dbraw/zinc/85/78/11/561857811.db2.gz PHUCMVLESYNLLQ-YVLHZVERSA-N 0 0 536.369 4.621 1 0 KJAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)C1=O ZINC000027424765 561858286 /nfs/dbraw/zinc/85/82/86/561858286.db2.gz ZMXCNSFRIWUHKR-RUZDIDTESA-N 0 0 513.598 4.673 1 0 KJAFRN COCCOCCOCCOCCOCCSc1cccc(CSc2nc3ccccc3[nH]2)c1C ZINC000027425065 561858233 /nfs/dbraw/zinc/85/82/33/561858233.db2.gz WSUYJQMDOVNKDF-UHFFFAOYSA-N 0 0 520.717 4.969 1 0 KJAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)C(C)C)c1 ZINC000027425881 561858382 /nfs/dbraw/zinc/85/83/82/561858382.db2.gz FAFRBAKZXRPXGD-SZHYKVQFSA-N 0 0 726.915 4.670 1 0 KJAFRN CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000027429272 561858965 /nfs/dbraw/zinc/85/89/65/561858965.db2.gz RASCVEWVRJPMSU-NSOVKSMOSA-N 0 0 578.754 4.848 1 0 in-vivo KJAFRN O=C(CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)NCc1ccccc1 ZINC000027429987 561859080 /nfs/dbraw/zinc/85/90/80/561859080.db2.gz OEDAOQUACKHAEX-LJAQVGFWSA-N 0 0 552.034 4.988 1 0 KJAFRN O=C(CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccc(Cl)cc2)C1=O)NCc1ccccc1 ZINC000027429992 561859074 /nfs/dbraw/zinc/85/90/74/561859074.db2.gz OEDAOQUACKHAEX-GDLZYMKVSA-N 0 0 552.034 4.988 1 0 KJAFRN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(C[C@@H]3SC(N)=NC3=O)cc1)CC2 ZINC000027430302 561859242 /nfs/dbraw/zinc/85/92/42/561859242.db2.gz NPWAZFOGEUJYOS-CUBQBAPOSA-N 0 0 510.656 4.961 1 0 KJAFRN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(C[C@@H]3SC(N)=NC3=O)cc1)CC2 ZINC000027430307 561859229 /nfs/dbraw/zinc/85/92/29/561859229.db2.gz NPWAZFOGEUJYOS-RBJSKKJNSA-N 0 0 510.656 4.961 1 0 KJAFRN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@](C)(CCOc1ccc(C[C@H]3SC(N)=NC3=O)cc1)CC2 ZINC000027430311 561859247 /nfs/dbraw/zinc/85/92/47/561859247.db2.gz NPWAZFOGEUJYOS-YWEHKCAJSA-N 0 0 510.656 4.961 1 0 KJAFRN CC(=O)Oc1cc2c(cc1C(C)(C)C)O[C@@](C)(CCOc1ccc(C[C@H]3SC(N)=NC3=O)cc1)CC2 ZINC000027430315 561859259 /nfs/dbraw/zinc/85/92/59/561859259.db2.gz NPWAZFOGEUJYOS-UFHPHHKVSA-N 0 0 510.656 4.961 1 0 KJAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 ZINC000027433265 561859713 /nfs/dbraw/zinc/85/97/13/561859713.db2.gz XEMBLFJITCAZQT-CPCREDONSA-N 0 0 627.782 4.529 1 0 KJAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 ZINC000027433270 561859777 /nfs/dbraw/zinc/85/97/77/561859777.db2.gz XEMBLFJITCAZQT-QAXCHELISA-N 0 0 627.782 4.529 1 0 KJAFRN CC(=O)OC/C=C/[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc2ccccc2c1)C(C)C ZINC000027433646 561859746 /nfs/dbraw/zinc/85/97/46/561859746.db2.gz HXHWMVQRWSJGFZ-JYNYDSDKSA-N 0 0 597.756 4.865 1 0 KJAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/[C@@H]2CCC(=O)C2)C(C)C)c1 ZINC000027434688 561859895 /nfs/dbraw/zinc/85/98/95/561859895.db2.gz WSYKPQIZVFVECX-SMQLUWJWSA-N 0 0 587.761 4.526 1 0 KJAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/[C@H]2CCC(=O)C2)C(C)C)c1 ZINC000027434693 561859843 /nfs/dbraw/zinc/85/98/43/561859843.db2.gz WSYKPQIZVFVECX-WSHZIELGSA-N 0 0 587.761 4.526 1 0 KJAFRN CCN(CC)C(=O)[C@@H](C)N1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000027436318 561860122 /nfs/dbraw/zinc/86/01/22/561860122.db2.gz HNAOXWISIXQYJI-NIYFSFCBSA-N 0 0 532.044 4.929 1 0 KJAFRN CCN(CC)C(=O)[C@H](C)N1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000027436323 561860067 /nfs/dbraw/zinc/86/00/67/561860067.db2.gz HNAOXWISIXQYJI-AFMDSPMNSA-N 0 0 532.044 4.929 1 0 KJAFRN CCN(CC)C(=O)[C@@H](C)N1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000027436327 561860191 /nfs/dbraw/zinc/86/01/91/561860191.db2.gz HNAOXWISIXQYJI-BCHFMIIMSA-N 0 0 532.044 4.929 1 0 KJAFRN CCN(CC)C(=O)[C@H](C)N1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000027436331 561860185 /nfs/dbraw/zinc/86/01/85/561860185.db2.gz HNAOXWISIXQYJI-SIBVEZHUSA-N 0 0 532.044 4.929 1 0 KJAFRN COCCOCCOCCOCCOCCSc1cccc(CSc2nc3cc(N)ccc3[nH]2)c1C ZINC000027436526 561860196 /nfs/dbraw/zinc/86/01/96/561860196.db2.gz NAKRTXOTURLHLW-UHFFFAOYSA-N 0 0 535.732 4.551 1 0 KJAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/[C@@H](C)CC(C)=O)C(C)C)c1 ZINC000027436549 561860184 /nfs/dbraw/zinc/86/01/84/561860184.db2.gz WULKEYQQNXLIJA-LLUUHGPUSA-N 0 0 589.777 4.772 1 0 KJAFRN O=C(CCNC(=O)c1ccccc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027441236 561860794 /nfs/dbraw/zinc/86/07/94/561860794.db2.gz SFAXCTPUSFYBDQ-GDLZYMKVSA-N 0 0 605.183 4.668 1 0 KJAFRN Clc1ccc2c(c1)nccc2N1CCN(CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)CC1 ZINC000027443021 561860979 /nfs/dbraw/zinc/86/09/79/561860979.db2.gz QKHHJHITDHSHKU-UHFFFAOYSA-N 0 0 507.469 4.992 1 0 KJAFRN COC(=O)[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027517556 561861265 /nfs/dbraw/zinc/86/12/65/561861265.db2.gz VAOHFAMLPUSOPR-MSRGAWBBSA-N 0 0 586.729 4.935 1 0 KJAFRN COC(=O)[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027517557 561861319 /nfs/dbraw/zinc/86/13/19/561861319.db2.gz VAOHFAMLPUSOPR-GQZUPRNYSA-N 0 0 586.729 4.935 1 0 KJAFRN CCCOc1ccc(-c2ccc(NC(=O)N3CCC[C@H]3C(=O)N3CC[C@H]4[C@H]3[C@H](C)C(=O)N4C(=O)C3CC3)cc2)cc1 ZINC000027517559 561861345 /nfs/dbraw/zinc/86/13/45/561861345.db2.gz CIZKKNNWRYMVSB-QGQKXLEHSA-N 0 0 558.679 4.523 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(C)C)cc1 ZINC000027517921 561861682 /nfs/dbraw/zinc/86/16/82/561861682.db2.gz GLUOQNSJNVHJGV-XZWHSSHBSA-N 0 0 552.737 4.868 1 0 KJAFRN Cc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000027518194 561861995 /nfs/dbraw/zinc/86/19/95/561861995.db2.gz CYHCGEKJFIIQML-MSRGAWBBSA-N 0 0 558.719 4.815 1 0 KJAFRN Cc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000027518195 561861926 /nfs/dbraw/zinc/86/19/26/561861926.db2.gz CYHCGEKJFIIQML-GQZUPRNYSA-N 0 0 558.719 4.815 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCc1ccccc1)C(=O)N[C@H]1c2ccccc2[C@H](O)[C@@H]1O ZINC000027518196 561861938 /nfs/dbraw/zinc/86/19/38/561861938.db2.gz BNEUUKYSHWONFU-YYCPSNSJSA-N 0 0 588.745 4.778 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H]1c2ccccc2[C@H](O)[C@@H]1O ZINC000027518197 561861935 /nfs/dbraw/zinc/86/19/35/561861935.db2.gz BNEUUKYSHWONFU-BGMFIKFPSA-N 0 0 588.745 4.778 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCc1ccccc1)C(=O)N[C@H]1c2ccccc2[C@@H](O)[C@@H]1O ZINC000027518198 561862072 /nfs/dbraw/zinc/86/20/72/561862072.db2.gz BNEUUKYSHWONFU-XANXPAGCSA-N 0 0 588.745 4.778 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H]1c2ccccc2[C@@H](O)[C@@H]1O ZINC000027518199 561862043 /nfs/dbraw/zinc/86/20/43/561862043.db2.gz BNEUUKYSHWONFU-FUGYJTAISA-N 0 0 588.745 4.778 1 0 KJAFRN O[C@@H](CSc1ncnc2c1ncn2-c1ccccc1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027518587 561862418 /nfs/dbraw/zinc/86/24/18/561862418.db2.gz PCKDIIIWLQQYSH-HHHXNRCGSA-N 0 0 572.685 4.954 1 0 KJAFRN O[C@H](CSc1ncnc2c1ncn2-c1ccccc1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027518588 561862441 /nfs/dbraw/zinc/86/24/41/561862441.db2.gz PCKDIIIWLQQYSH-MHZLTWQESA-N 0 0 572.685 4.954 1 0 KJAFRN O[C@@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000027518755 561862486 /nfs/dbraw/zinc/86/24/86/561862486.db2.gz NJEIDQVRACLRFP-OAQYLSRUSA-N 0 0 618.399 4.738 1 0 KJAFRN O[C@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000027518756 561862543 /nfs/dbraw/zinc/86/25/43/561862543.db2.gz NJEIDQVRACLRFP-NRFANRHFSA-N 0 0 618.399 4.738 1 0 KJAFRN C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cccc(NS(C)(=O)=O)c1)c1ccccc1 ZINC000027518815 561862644 /nfs/dbraw/zinc/86/26/44/561862644.db2.gz UNGJRWQXFMCGEL-AFJIDDCJSA-N 0 0 548.665 4.644 1 0 KJAFRN COc1cc2c(cc1OC)CN(C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)c(Br)c1)CC2 ZINC000027518940 561862823 /nfs/dbraw/zinc/86/28/23/561862823.db2.gz ASKXKLWUDBSGDD-HSZRJFAPSA-N 0 0 541.417 4.531 1 0 KJAFRN COc1cc2c(cc1OC)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c(Br)c1)CC2 ZINC000027518941 561862745 /nfs/dbraw/zinc/86/27/45/561862745.db2.gz ASKXKLWUDBSGDD-QHCPKHFHSA-N 0 0 541.417 4.531 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000027519783 561863264 /nfs/dbraw/zinc/86/32/64/561863264.db2.gz YNCKRPLMVZQYLP-RRPNLBNLSA-N 0 0 578.653 4.763 1 0 KJAFRN CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([nH]c6ccccc6c5=O)[C@@H]4c4ccc5c(c4)CCO5)o3)cc2)CC1 ZINC000027520493 561863679 /nfs/dbraw/zinc/86/36/79/561863679.db2.gz ABOHIXOOXRYIFZ-XIFFEERXSA-N 0 0 600.675 4.856 1 0 KJAFRN CN1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4Cc5c([nH]c6ccccc6c5=O)[C@H]4c4ccc5c(c4)CCO5)o3)cc2)CC1 ZINC000027520495 561863665 /nfs/dbraw/zinc/86/36/65/561863665.db2.gz ABOHIXOOXRYIFZ-MGBGTMOVSA-N 0 0 600.675 4.856 1 0 KJAFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN2[C@@]3(CC(=O)NC3=O)c3ccccc3S2(=O)=O)cc1 ZINC000027523202 561864917 /nfs/dbraw/zinc/86/49/17/561864917.db2.gz BODGHVBNFRRYKI-LJAQVGFWSA-N 0 0 543.601 4.558 1 0 KJAFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN2[C@]3(CC(=O)NC3=O)c3ccccc3S2(=O)=O)cc1 ZINC000027523203 561864835 /nfs/dbraw/zinc/86/48/35/561864835.db2.gz BODGHVBNFRRYKI-GDLZYMKVSA-N 0 0 543.601 4.558 1 0 KJAFRN S=C(NCCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000027523215 561864904 /nfs/dbraw/zinc/86/49/04/561864904.db2.gz ZGCGQHXDUDCCCX-UHFFFAOYSA-N 0 0 542.334 4.978 1 0 KJAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2cccc(COc3cccc4ccc(C)nc43)c2C)cc1 ZINC000027523693 561865208 /nfs/dbraw/zinc/86/52/08/561865208.db2.gz AFNPYEOPZAKLQY-NBVRZTHBSA-N 0 0 536.632 4.583 1 0 KJAFRN O=C(N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000027523785 561865199 /nfs/dbraw/zinc/86/51/99/561865199.db2.gz JCQORARWDWFHPF-QMXKBHQESA-N 0 0 621.782 4.913 1 0 KJAFRN CC(C)(CO)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccccc2)n1 ZINC000027523850 561865321 /nfs/dbraw/zinc/86/53/21/561865321.db2.gz YXXYKDWUAWKVIE-UHFFFAOYSA-N 0 0 529.641 4.650 1 0 KJAFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(N2[C@@]3(CC(=O)NC3=O)c3ccccc3S2(=O)=O)cc1 ZINC000027523928 561865313 /nfs/dbraw/zinc/86/53/13/561865313.db2.gz PYQFHMXRNZEJMC-NDEPHWFRSA-N 0 0 529.574 4.563 1 0 KJAFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(N2[C@]3(CC(=O)NC3=O)c3ccccc3S2(=O)=O)cc1 ZINC000027523929 561865333 /nfs/dbraw/zinc/86/53/33/561865333.db2.gz PYQFHMXRNZEJMC-MUUNZHRXSA-N 0 0 529.574 4.563 1 0 KJAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc43)c2C)cc1 ZINC000027524023 561865443 /nfs/dbraw/zinc/86/54/43/561865443.db2.gz OMWLEOXFHNLCJC-QGOAFFKASA-N 0 0 550.659 4.891 1 0 KJAFRN O=C(NCCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000027524295 561865533 /nfs/dbraw/zinc/86/55/33/561865533.db2.gz MROIMDQJEATEJZ-UHFFFAOYSA-N 0 0 526.266 4.813 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C(C)C)c1 ZINC000027524375 561865683 /nfs/dbraw/zinc/86/56/83/561865683.db2.gz APYYAMRNTXCSIO-HOFKKMOUSA-N 0 0 584.783 4.554 1 0 KJAFRN CC(=O)O[C@@H]1[C@@H]2[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)C[C@](C)(O)[C@]13OC2(C)C ZINC000027524413 561865691 /nfs/dbraw/zinc/86/56/91/561865691.db2.gz PXDXQOQNFDIAAF-JWNDYWGTSA-N 0 0 714.764 4.865 1 0 KJAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccncc1)Cc1ccccc1 ZINC000027524880 561865919 /nfs/dbraw/zinc/86/59/19/561865919.db2.gz XQMHPYADRIKWID-ZHODSEKVSA-N 0 0 705.966 4.739 1 0 KJAFRN CC(=O)O[C@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3 ZINC000027524903 561865866 /nfs/dbraw/zinc/86/58/66/561865866.db2.gz UCMCNBKFGRBCRY-ZUVKMSDOSA-N 0 0 562.659 4.888 1 0 KJAFRN CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]3C[C@@]2(OC3(C)C)[C@@](C)(O)[C@H]1OC(C)=O ZINC000027525069 561865918 /nfs/dbraw/zinc/86/59/18/561865918.db2.gz XTDALQSFSCVEQQ-NAJZQOJBSA-N 0 0 714.764 4.865 1 0 KJAFRN S=C(NCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000027525511 561865994 /nfs/dbraw/zinc/86/59/94/561865994.db2.gz MIKPOPGCYPLJSP-UHFFFAOYSA-N 0 0 528.307 4.587 1 0 KJAFRN Nc1c(Cl)cc(C(=O)N[C@@H]2N=C(c3ccccc3)c3cc(N4CCCC4)cc4c3N(CC4)C2=O)cc1Cl ZINC000027527192 561866642 /nfs/dbraw/zinc/86/66/42/561866642.db2.gz NMVLJLKIUKOKSB-SANMLTNESA-N 0 0 534.447 4.672 1 0 KJAFRN Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn21 ZINC000027547644 561867189 /nfs/dbraw/zinc/86/71/89/561867189.db2.gz QYNQDOYOHRANSN-UHFFFAOYSA-N 0 0 582.054 4.846 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C)[C@@H](C)CC ZINC000027547656 561867197 /nfs/dbraw/zinc/86/71/97/561867197.db2.gz QCJGETVAMMABIO-XFNMXBBLSA-N 0 0 569.828 4.680 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 ZINC000027547854 561867238 /nfs/dbraw/zinc/86/72/38/561867238.db2.gz LEPQCMGOKRPKDH-SYKYGTKKSA-N 0 0 683.831 4.559 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 ZINC000027547864 561867154 /nfs/dbraw/zinc/86/71/54/561867154.db2.gz LEPQCMGOKRPKDH-FAPGNOQXSA-N 0 0 683.831 4.559 1 0 KJAFRN CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C ZINC000027548325 561867352 /nfs/dbraw/zinc/86/73/52/561867352.db2.gz KLNHCORKYXXGEP-PBOOMZTISA-N 0 0 666.904 4.547 1 0 KJAFRN NC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000027548513 561867520 /nfs/dbraw/zinc/86/75/20/561867520.db2.gz YQYGDEQYTHPZGX-RUZDIDTESA-N 0 0 639.820 4.773 1 0 KJAFRN COc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H](NCc2ccc(Cl)cc2)C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000027549502 561867651 /nfs/dbraw/zinc/86/76/51/561867651.db2.gz MUMWUWSAYZJECD-OCFVUHCMSA-N 0 0 707.272 4.637 1 0 KJAFRN NC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)c(Br)c4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027549812 561867725 /nfs/dbraw/zinc/86/77/25/561867725.db2.gz VABJTMPBSQEKRT-RUZDIDTESA-N 0 0 639.820 4.773 1 0 KJAFRN CCOc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000027550028 561867768 /nfs/dbraw/zinc/86/77/68/561867768.db2.gz MMLXJDVPKNROEJ-FFCOJMSVSA-N 0 0 736.910 4.748 1 0 KJAFRN COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC ZINC000027550947 561867855 /nfs/dbraw/zinc/86/78/55/561867855.db2.gz YFEUUISKXLCYAK-UHFFFAOYSA-N 0 0 552.745 4.504 1 0 KJAFRN CCOC(=O)[C@H](NCc1ccc(CNC(=O)c2ccccc2)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000027550972 561867941 /nfs/dbraw/zinc/86/79/41/561867941.db2.gz QOXLKZUCMYFTGN-DNMDQSTESA-N 0 0 708.856 4.677 1 0 KJAFRN NC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000027551831 561868177 /nfs/dbraw/zinc/86/81/77/561868177.db2.gz YQYGDEQYTHPZGX-VWLOTQADSA-N 0 0 639.820 4.773 1 0 KJAFRN NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000027552173 561868213 /nfs/dbraw/zinc/86/82/13/561868213.db2.gz PFHVDWXLOBKESO-MHZLTWQESA-N 0 0 581.616 4.677 1 0 KJAFRN CCCCc1nc(C)n(Cc2occc2C(=O)OC)c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027552257 561868344 /nfs/dbraw/zinc/86/83/44/561868344.db2.gz ZEQBPZZTYKGYLB-UHFFFAOYSA-N 0 0 538.608 4.760 1 0 KJAFRN COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC ZINC000027552675 561868532 /nfs/dbraw/zinc/86/85/32/561868532.db2.gz VCMNAOAODHZBHW-UHFFFAOYSA-N 0 0 552.745 4.504 1 0 KJAFRN NC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)c(Br)c4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027552743 561868430 /nfs/dbraw/zinc/86/84/30/561868430.db2.gz VABJTMPBSQEKRT-VWLOTQADSA-N 0 0 639.820 4.773 1 0 KJAFRN CC(C)[C@H]([NH3+])C(=O)C[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCc2ccc(cc2)OCCOCCCOCCNC(=O)[C@H](C(C)C)CC1=O ZINC000027553298 561868571 /nfs/dbraw/zinc/86/85/71/561868571.db2.gz MAJOUNQURPGLIM-ABISCCFTSA-N 0 0 652.873 4.561 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000027553605 561868807 /nfs/dbraw/zinc/86/88/07/561868807.db2.gz UDIOZAWKJLTRKM-YQAAHHDASA-N 0 0 715.936 4.630 1 0 KJAFRN Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)C ZINC000027553712 561868776 /nfs/dbraw/zinc/86/87/76/561868776.db2.gz SKJYBEQFKWHPED-BQGJQJSESA-N 0 0 529.725 4.520 1 0 KJAFRN Nc1ncnc2c1ncn2CCOCP(=O)(OCCSC(=O)c1ccccc1)OCCSC(=O)c1ccccc1 ZINC000027553914 561868818 /nfs/dbraw/zinc/86/88/18/561868818.db2.gz GBUKROKKIFVEFU-UHFFFAOYSA-N 0 0 601.647 4.756 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)c1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000027554184 561868947 /nfs/dbraw/zinc/86/89/47/561868947.db2.gz NDKXLZAPCRVUMJ-VEJIKZNJSA-N 0 0 748.969 4.951 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000027554341 561869115 /nfs/dbraw/zinc/86/91/15/561869115.db2.gz ZTHBXCVKBZPFQY-JSSJSZTNSA-N 0 0 677.246 4.629 1 0 KJAFRN CCn1c2cc3ncnc(N4CCN(C(=O)Nc5ccc(Oc6ccccc6)cc5)CC4)c3cc2n(CC)c1=O ZINC000027554619 561869058 /nfs/dbraw/zinc/86/90/58/561869058.db2.gz HGAMJJFLKUUKPP-UHFFFAOYSA-N 0 0 537.624 4.932 1 0 KJAFRN NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1CNS(=O)(=O)c1cccc2ccccc21 ZINC000027554833 561869234 /nfs/dbraw/zinc/86/92/34/561869234.db2.gz COTBMKKUECQBKR-PMERELPUSA-N 0 0 563.679 4.812 1 0 KJAFRN CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1cnc2ccccc2c1 ZINC000027555402 561869353 /nfs/dbraw/zinc/86/93/53/561869353.db2.gz LGJZQZFSGWSQNO-VBDKILDKSA-N 0 0 550.703 4.891 1 0 KJAFRN COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(C3(OC)CCN(C(=O)OC(C)(C)C)CC3)oc21 ZINC000027556969 561869753 /nfs/dbraw/zinc/86/97/53/561869753.db2.gz LYJGBGQLQMRKKF-UHFFFAOYSA-N 0 0 567.426 4.902 1 0 KJAFRN CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccc2ncccc2c1 ZINC000027557152 561869697 /nfs/dbraw/zinc/86/96/97/561869697.db2.gz MRALGEXHJHNARS-VBDKILDKSA-N 0 0 550.703 4.891 1 0 KJAFRN CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4ccccc4Cl)c3cc2c(=O)[nH]1 ZINC000027557791 561870002 /nfs/dbraw/zinc/87/00/02/561870002.db2.gz AVMVSXLWQSNQCT-UHFFFAOYSA-N 0 0 621.163 4.757 1 0 KJAFRN CCCOc1ccc(C(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1 ZINC000027559061 561870085 /nfs/dbraw/zinc/87/00/85/561870085.db2.gz FGQHYVMYRARACG-UHFFFAOYSA-N 0 0 568.653 4.694 1 0 KJAFRN CCOC(=O)c1c(CSc2nccn2C)nc2cc3c(cc2c1-c1ccc(OC)c(OC)c1)OCCO3 ZINC000027559556 561870328 /nfs/dbraw/zinc/87/03/28/561870328.db2.gz NYUHZCPOFOBKIW-UHFFFAOYSA-N 0 0 521.595 4.893 1 0 KJAFRN CCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc2c(c1)OCO2 ZINC000027559570 561870331 /nfs/dbraw/zinc/87/03/31/561870331.db2.gz LIVQYLNJTFTQJH-UHFFFAOYSA-N 0 0 507.568 4.850 1 0 KJAFRN COc1cc(C(=O)C(=O)N2CCCC[C@@H]2C(=O)OCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC ZINC000027559633 561870294 /nfs/dbraw/zinc/87/02/94/561870294.db2.gz SHFDRUNMTYYHLY-XMMPIXPASA-N 0 0 533.577 4.812 1 0 KJAFRN COc1cc(C(=O)C(=O)N2CCCC[C@H]2C(=O)OCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC ZINC000027559635 561870299 /nfs/dbraw/zinc/87/02/99/561870299.db2.gz SHFDRUNMTYYHLY-DEOSSOPVSA-N 0 0 533.577 4.812 1 0 KJAFRN CCOC(=O)c1c(CCc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027559765 561870478 /nfs/dbraw/zinc/87/04/78/561870478.db2.gz OXOIBLCATJHGLB-UHFFFAOYSA-N 0 0 505.571 4.632 1 0 KJAFRN CC(C)N(C(=O)COC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)([O-])Oc1ccccc1)C(C)C ZINC000027561316 561870718 /nfs/dbraw/zinc/87/07/18/561870718.db2.gz MASBABGJFNLNNK-PMERELPUSA-N 0 0 623.687 4.771 1 0 KJAFRN COC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027561586 561870721 /nfs/dbraw/zinc/87/07/21/561870721.db2.gz NLGOMXKSOBKGAI-UHFFFAOYSA-N 0 0 509.584 4.749 1 0 KJAFRN COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1 ZINC000027561719 561870939 /nfs/dbraw/zinc/87/09/39/561870939.db2.gz AREHOUGDCWGZMH-UHFFFAOYSA-N 0 0 534.491 4.606 1 0 KJAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(-c3ccc(O)cc3)c2)c(I)c1)C(=O)[O-] ZINC000027562180 561870916 /nfs/dbraw/zinc/87/09/16/561870916.db2.gz IJQCUHBGUPWTHC-SFHVURJKSA-N 0 0 617.177 4.721 1 0 KJAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(-c3ccc(O)cc3)c2)c(I)c1)C(=O)[O-] ZINC000027562183 561870901 /nfs/dbraw/zinc/87/09/01/561870901.db2.gz IJQCUHBGUPWTHC-GOSISDBHSA-N 0 0 617.177 4.721 1 0 KJAFRN CC(C)(C)c1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027562690 561871030 /nfs/dbraw/zinc/87/10/30/561871030.db2.gz KBSJFXNDLVCBFP-OAHLLOKOSA-N 0 0 581.188 4.646 1 0 KJAFRN CC(C)(C)c1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027562693 561871064 /nfs/dbraw/zinc/87/10/64/561871064.db2.gz KBSJFXNDLVCBFP-HNNXBMFYSA-N 0 0 581.188 4.646 1 0 KJAFRN CC(C)Cc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027562696 561871073 /nfs/dbraw/zinc/87/10/73/561871073.db2.gz SVZGAZYMMLCZMT-MRXNPFEDSA-N 0 0 581.188 4.547 1 0 KJAFRN O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2ccc3ccccc3c2)c1 ZINC000027563561 561871538 /nfs/dbraw/zinc/87/15/38/561871538.db2.gz ILYVUXILMAIDHW-GGXMVOPNSA-N 0 0 542.680 4.552 1 0 KJAFRN O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2ccc3ccccc3c2)c1 ZINC000027563565 561871473 /nfs/dbraw/zinc/87/14/73/561871473.db2.gz ILYVUXILMAIDHW-UHSQPCAPSA-N 0 0 542.680 4.552 1 0 KJAFRN O=C([O-])C[C@@H](NC(=O)[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2ccc3ccccc3c2)c1 ZINC000027563569 561871486 /nfs/dbraw/zinc/87/14/86/561871486.db2.gz ILYVUXILMAIDHW-LITSAYRRSA-N 0 0 542.680 4.552 1 0 KJAFRN O=C([O-])C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2ccc3ccccc3c2)c1 ZINC000027563573 561871437 /nfs/dbraw/zinc/87/14/37/561871437.db2.gz ILYVUXILMAIDHW-WNJJXGMVSA-N 0 0 542.680 4.552 1 0 KJAFRN CC[C@@H](C)c1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027563706 561871527 /nfs/dbraw/zinc/87/15/27/561871527.db2.gz WURIYYXYNQFDHS-QLJPJBMISA-N 0 0 581.188 4.862 1 0 KJAFRN CC[C@H](C)c1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027563709 561871433 /nfs/dbraw/zinc/87/14/33/561871433.db2.gz WURIYYXYNQFDHS-MGPLVRAMSA-N 0 0 581.188 4.862 1 0 KJAFRN CC[C@@H](C)c1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027563711 561871540 /nfs/dbraw/zinc/87/15/40/561871540.db2.gz WURIYYXYNQFDHS-HWPZZCPQSA-N 0 0 581.188 4.862 1 0 KJAFRN CC[C@H](C)c1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027563713 561871547 /nfs/dbraw/zinc/87/15/47/561871547.db2.gz WURIYYXYNQFDHS-QFYYESIMSA-N 0 0 581.188 4.862 1 0 KJAFRN Cc1cc(C)c(C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](O)CSC(C)C)c(C)c1 ZINC000027563800 561871512 /nfs/dbraw/zinc/87/15/12/561871512.db2.gz PFLZXALMPKUSLY-JSRHHAARSA-N 0 0 599.838 4.782 1 0 KJAFRN O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2cccc3ccccc32)c1 ZINC000027563813 561871502 /nfs/dbraw/zinc/87/15/02/561871502.db2.gz JDHLZTCLPIQCRV-FUFSCUOVSA-N 0 0 542.680 4.552 1 0 KJAFRN O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2cccc3ccccc32)c1 ZINC000027563815 561871544 /nfs/dbraw/zinc/87/15/44/561871544.db2.gz JDHLZTCLPIQCRV-GIGWZHCTSA-N 0 0 542.680 4.552 1 0 KJAFRN O=C([O-])C[C@@H](NC(=O)[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2cccc3ccccc32)c1 ZINC000027563817 561871580 /nfs/dbraw/zinc/87/15/80/561871580.db2.gz JDHLZTCLPIQCRV-PWUYWRBVSA-N 0 0 542.680 4.552 1 0 KJAFRN O=C([O-])C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2cccc3ccccc32)c1 ZINC000027563819 561871626 /nfs/dbraw/zinc/87/16/26/561871626.db2.gz JDHLZTCLPIQCRV-OUTSHDOLSA-N 0 0 542.680 4.552 1 0 KJAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccccc3)c2)c(I)c1)C(=O)[O-] ZINC000027563980 561871616 /nfs/dbraw/zinc/87/16/16/561871616.db2.gz MDFYKDDAWSCCAV-LJQANCHMSA-N 0 0 615.205 4.939 1 0 KJAFRN CCOC(=O)c1c(CSc2nncn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027564232 561871867 /nfs/dbraw/zinc/87/18/67/561871867.db2.gz AALQKZCJVIHFLN-UHFFFAOYSA-N 0 0 524.599 4.534 1 0 KJAFRN CCCCc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027619434 561872294 /nfs/dbraw/zinc/87/22/94/561872294.db2.gz SOXOSQQYDBELDI-MRXNPFEDSA-N 0 0 581.188 4.691 1 0 KJAFRN CCCCc1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027619439 561872263 /nfs/dbraw/zinc/87/22/63/561872263.db2.gz SOXOSQQYDBELDI-INIZCTEOSA-N 0 0 581.188 4.691 1 0 KJAFRN COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC ZINC000027621614 561872594 /nfs/dbraw/zinc/87/25/94/561872594.db2.gz PVADTBGUAWNBMH-LJWNLINESA-N 0 0 639.771 4.955 1 0 KJAFRN CC(C)SC[C@H](O)[C@H](CCC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027622646 561872765 /nfs/dbraw/zinc/87/27/65/561872765.db2.gz NKNGSKAOFKHEHL-OXCFDMGDSA-N 0 0 577.832 4.975 1 0 KJAFRN CCCCOCc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027623072 561872843 /nfs/dbraw/zinc/87/28/43/561872843.db2.gz RKSSYRBBVBBVLG-QGZVFWFLSA-N 0 0 611.214 4.665 1 0 KJAFRN CCCCOCc1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027623078 561872829 /nfs/dbraw/zinc/87/28/29/561872829.db2.gz RKSSYRBBVBBVLG-KRWDZBQOSA-N 0 0 611.214 4.665 1 0 KJAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2ncc(-c3ccccc3)s2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027623467 561872796 /nfs/dbraw/zinc/87/27/96/561872796.db2.gz PZHGYBIMCRVCSW-LIOMHBHCSA-N 0 0 695.930 4.595 1 0 KJAFRN CC(C)SC[C@H](O)[C@H](CCC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027624477 561872875 /nfs/dbraw/zinc/87/28/75/561872875.db2.gz SOTZDMBUIDTGCD-KRCBVYEFSA-N 0 0 643.895 4.921 1 0 KJAFRN CCOP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OCC ZINC000027625982 561873065 /nfs/dbraw/zinc/87/30/65/561873065.db2.gz NRPBAVWIOYZNFJ-KRCBVYEFSA-N 0 0 691.807 4.655 1 0 KJAFRN CC(C)C[C@H]1C(=O)N(COP(=O)(Oc2ccccc2)Oc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027627008 561873166 /nfs/dbraw/zinc/87/31/66/561873166.db2.gz GVMNKNPEYDRCBJ-DEOSSOPVSA-N 0 0 532.555 4.773 1 0 KJAFRN CC(C)C[C@@H]1C(=O)N(COP(=O)(Oc2ccccc2)Oc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027627011 561873198 /nfs/dbraw/zinc/87/31/98/561873198.db2.gz GVMNKNPEYDRCBJ-XMMPIXPASA-N 0 0 532.555 4.773 1 0 KJAFRN O=C1N(Cc2ccccc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@H](COc2ccccc2)N1Cc1ccccc1 ZINC000027627165 561873224 /nfs/dbraw/zinc/87/32/24/561873224.db2.gz SQBOSZXDOHQFAA-RACKDBBVSA-N 0 0 538.644 4.741 1 0 in-vivo KJAFRN Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](O)CSC(C)C)c(C)c1 ZINC000027627222 561873187 /nfs/dbraw/zinc/87/31/87/561873187.db2.gz ZFMKNLNUYLHVEH-YDPTYEFTSA-N 0 0 665.901 4.728 1 0 KJAFRN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000027628060 561873388 /nfs/dbraw/zinc/87/33/88/561873388.db2.gz ZWHDTRVXPRMULY-UHFFFAOYSA-N 0 0 616.166 4.682 1 0 KJAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cc(Cl)c(Cl)c(Cl)c4)CC3)ccc2s1 ZINC000027628807 561873474 /nfs/dbraw/zinc/87/34/74/561873474.db2.gz ACZFEKKVAQKYSC-MRXNPFEDSA-N 0 0 543.904 4.561 1 0 KJAFRN COc1ccc(C(=O)N2CCN(c3nc(NCCc4ccc(O)cc4)nc(N(C)CCCc4ccc(Cl)cc4)n3)CC2)cc1 ZINC000027629176 561873469 /nfs/dbraw/zinc/87/34/69/561873469.db2.gz RDNXTKSERSGCGK-UHFFFAOYSA-N 0 0 616.166 4.925 1 0 KJAFRN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(Cc3ccccn3)CC2)n1 ZINC000027629300 561873499 /nfs/dbraw/zinc/87/34/99/561873499.db2.gz BJBKKKHDONJWDS-UHFFFAOYSA-N 0 0 573.145 4.671 1 0 KJAFRN CN(Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000027629606 561873710 /nfs/dbraw/zinc/87/37/10/561873710.db2.gz KQTPWMRJUWMKBZ-UHFFFAOYSA-N 0 0 645.782 4.728 1 0 KJAFRN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(Cc3cccnc3)CC2)n1 ZINC000027629951 561873706 /nfs/dbraw/zinc/87/37/06/561873706.db2.gz CDAFOCZZOLXAMW-UHFFFAOYSA-N 0 0 573.145 4.671 1 0 KJAFRN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(Cc3ccncc3)CC2)n1 ZINC000027632064 561873992 /nfs/dbraw/zinc/87/39/92/561873992.db2.gz BMBRGXHCBMOLNP-UHFFFAOYSA-N 0 0 573.145 4.671 1 0 KJAFRN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(CC(=O)c3ccccc3)CC2)n1 ZINC000027632493 561874002 /nfs/dbraw/zinc/87/40/02/561874002.db2.gz WHBXFIZUXGGOSG-UHFFFAOYSA-N 0 0 600.167 4.959 1 0 KJAFRN CCN(CC)C(=O)N1CCN(c2nc(NCCc3ccc(O)cc3)nc(N(C)CCCc3ccc(Cl)cc3)n2)CC1 ZINC000027632629 561873982 /nfs/dbraw/zinc/87/39/82/561873982.db2.gz UUQSQBSNEVDIFN-UHFFFAOYSA-N 0 0 581.165 4.538 1 0 KJAFRN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000027632889 561873950 /nfs/dbraw/zinc/87/39/50/561873950.db2.gz WHSVUMREWKZRDJ-UHFFFAOYSA-N 0 0 636.222 4.606 1 0 KJAFRN CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(CC(=O)C(C)(C)C)CC2)n1 ZINC000027634989 561874329 /nfs/dbraw/zinc/87/43/29/561874329.db2.gz XTCVGLXFDJQFHX-UHFFFAOYSA-N 0 0 580.177 4.691 1 0 KJAFRN CNc1nc(Cl)nc2c1ncn2CC(COC(=O)Nc1ccccc1)COC(=O)Nc1ccccc1 ZINC000027638779 561874958 /nfs/dbraw/zinc/87/49/58/561874958.db2.gz QODRDEDVJUKHRD-UHFFFAOYSA-N 0 0 509.954 4.635 1 0 KJAFRN CC(=O)NCCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000027639351 561874920 /nfs/dbraw/zinc/87/49/20/561874920.db2.gz NJOUHIUGAFKRTI-UHFFFAOYSA-N 0 0 528.234 4.780 1 0 KJAFRN COc1c(OC(=O)c2ccccc2)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000027639434 561875203 /nfs/dbraw/zinc/87/52/03/561875203.db2.gz UCTSFNAECYNWHZ-NRFANRHFSA-N 0 0 505.592 4.796 1 0 KJAFRN CCOC(=O)C1=C(COCCNc2cc(NC)ncn2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027639674 561875170 /nfs/dbraw/zinc/87/51/70/561875170.db2.gz JJFCUKCUPBOGSF-QTANXNOISA-N 0 0 550.443 4.745 1 0 KJAFRN CCOC(=O)C1=C(COCCNc2cc(NC)ncn2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027639680 561875138 /nfs/dbraw/zinc/87/51/38/561875138.db2.gz JJFCUKCUPBOGSF-MUTZGBHFSA-N 0 0 550.443 4.745 1 0 KJAFRN CCOC(=O)C1=C(COCCNc2nccnc2NC)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027644248 561875681 /nfs/dbraw/zinc/87/56/81/561875681.db2.gz SHRTYYOBQGVOJQ-UINQJLALSA-N 0 0 550.443 4.745 1 0 KJAFRN CCOC(=O)C1=C(COCCNc2nccnc2NC)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027644251 561875668 /nfs/dbraw/zinc/87/56/68/561875668.db2.gz SHRTYYOBQGVOJQ-ZBCDYPQOSA-N 0 0 550.443 4.745 1 0 KJAFRN COc1ccc(C[N@H+](Cc2cc(OC)c(OC)c(OC)c2)[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000027645438 561875770 /nfs/dbraw/zinc/87/57/70/561875770.db2.gz LNOAJWXBYDIVDO-VWLOTQADSA-N 0 0 504.583 4.900 1 0 KJAFRN COc1ccc(C[N@H+](Cc2cc(OC)c(OC)c(OC)c2)[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000027645444 561875811 /nfs/dbraw/zinc/87/58/11/561875811.db2.gz LNOAJWXBYDIVDO-RUZDIDTESA-N 0 0 504.583 4.900 1 0 KJAFRN Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 ZINC000027647756 561876123 /nfs/dbraw/zinc/87/61/23/561876123.db2.gz BNIXNHYHBPXENI-LJAQVGFWSA-N 0 0 517.589 4.913 1 0 KJAFRN Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 ZINC000027647759 561876091 /nfs/dbraw/zinc/87/60/91/561876091.db2.gz BNIXNHYHBPXENI-GDLZYMKVSA-N 0 0 517.589 4.913 1 0 KJAFRN Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccncc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 ZINC000027647763 561876043 /nfs/dbraw/zinc/87/60/43/561876043.db2.gz SRJQZTRUBZDAHV-LJAQVGFWSA-N 0 0 517.589 4.913 1 0 KJAFRN Cc1cccc(NC(=O)N[C@H]2N=C(c3ccncc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 ZINC000027647768 561876109 /nfs/dbraw/zinc/87/61/09/561876109.db2.gz SRJQZTRUBZDAHV-GDLZYMKVSA-N 0 0 517.589 4.913 1 0 KJAFRN COc1ccc(C(=O)O[C@@H]2[C@H]3C[C@H](OC(=O)c4ccco4)[C@]4(C)[C@@H](OC(C)=O)[C@@H](OC(=O)c5ccccc5)C[C@](C)(O)[C@@]24OC3(C)C)cc1 ZINC000027647957 561876143 /nfs/dbraw/zinc/87/61/43/561876143.db2.gz MITHLPPZKNVFLO-YCAURCQSSA-N 0 0 676.715 4.925 1 0 KJAFRN CNc1nc(Cl)nc2c1ncn2CC(COC(=O)Oc1ccccc1)COC(=O)Oc1ccccc1 ZINC000027649903 561876406 /nfs/dbraw/zinc/87/64/06/561876406.db2.gz KWNUHNYOBRYJKA-UHFFFAOYSA-N 0 0 511.922 4.569 1 0 KJAFRN COc1cncc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027652176 561876806 /nfs/dbraw/zinc/87/68/06/561876806.db2.gz MXSCVBWOLYSQIF-OZFLXDGESA-N 0 0 683.806 4.752 1 0 KJAFRN COc1cncc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027652180 561876828 /nfs/dbraw/zinc/87/68/28/561876828.db2.gz MXSCVBWOLYSQIF-HPSGNIKNSA-N 0 0 683.806 4.752 1 0 KJAFRN COc1cncc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027652184 561876832 /nfs/dbraw/zinc/87/68/32/561876832.db2.gz SZUSWZGEXPBJFV-OZFLXDGESA-N 0 0 683.806 4.752 1 0 KJAFRN COc1cncc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027652188 561876809 /nfs/dbraw/zinc/87/68/09/561876809.db2.gz SZUSWZGEXPBJFV-HPSGNIKNSA-N 0 0 683.806 4.752 1 0 KJAFRN CCC[C@@H](C)O[C@H]1C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1 ZINC000027652540 561876823 /nfs/dbraw/zinc/87/68/23/561876823.db2.gz DXMBTSIKETVDDW-WINWIQKOSA-N 0 0 602.677 4.858 1 0 KJAFRN CCC[C@H](C)O[C@H]1C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1 ZINC000027652544 561876837 /nfs/dbraw/zinc/87/68/37/561876837.db2.gz DXMBTSIKETVDDW-JQDIJAAGSA-N 0 0 602.677 4.858 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)C(C)(C)C ZINC000027652989 561876965 /nfs/dbraw/zinc/87/69/65/561876965.db2.gz WNXMTDUOZWCBKX-XKJMKEIGSA-N 0 0 626.699 4.649 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000027653400 561876959 /nfs/dbraw/zinc/87/69/59/561876959.db2.gz LAADBCXDDPNBAA-XUURDQTRSA-N 0 0 636.650 4.509 1 0 KJAFRN CCc1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)co1 ZINC000027653668 561877036 /nfs/dbraw/zinc/87/70/36/561877036.db2.gz MWULJCADXCDICM-UDRKEFQJSA-N 0 0 690.867 4.876 1 0 KJAFRN CCc1nc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)co1 ZINC000027653671 561877030 /nfs/dbraw/zinc/87/70/30/561877030.db2.gz MWULJCADXCDICM-GVPIEBCOSA-N 0 0 690.867 4.876 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)OCc1ccccc1 ZINC000027653873 561877013 /nfs/dbraw/zinc/87/70/13/561877013.db2.gz QXXNMHUHYDOUND-XZWHSSHBSA-N 0 0 544.673 4.776 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3Oc1cccc2ccccc21 ZINC000027653959 561877006 /nfs/dbraw/zinc/87/70/06/561877006.db2.gz JPCCJJMEAUXNQC-VYBFQMHGSA-N 0 0 606.668 4.998 1 0 KJAFRN Cc1cccc(CNC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027654009 561877184 /nfs/dbraw/zinc/87/71/84/561877184.db2.gz BBZZPVFDYRXRQC-AYXCPNKJSA-N 0 0 666.823 4.625 1 0 KJAFRN Cc1cccc(CNC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027654013 561877214 /nfs/dbraw/zinc/87/72/14/561877214.db2.gz BBZZPVFDYRXRQC-BBACVFHCSA-N 0 0 666.823 4.625 1 0 KJAFRN COc1ccc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027654084 561877189 /nfs/dbraw/zinc/87/71/89/561877189.db2.gz YJISVGHMDDJXBF-RRNXAADDSA-N 0 0 696.849 4.667 1 0 KJAFRN COc1ccc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027654089 561877192 /nfs/dbraw/zinc/87/71/92/561877192.db2.gz YJISVGHMDDJXBF-PNEDVXDFSA-N 0 0 696.849 4.667 1 0 KJAFRN CCCCN1C(=O)N(Cc2ccc3[nH]nc(N)c3c2)[C@H](Cc2ccc(C)cc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccc(C)cc1 ZINC000027654116 561877198 /nfs/dbraw/zinc/87/71/98/561877198.db2.gz YKAFTOZYPINVBL-VKONIRKNSA-N 0 0 555.723 4.744 1 0 KJAFRN COCc1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cs1 ZINC000027654535 561877224 /nfs/dbraw/zinc/87/72/24/561877224.db2.gz WVYVSMXJBKALFJ-JKAXMSHYSA-N 0 0 703.862 4.952 1 0 KJAFRN COCc1nc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cs1 ZINC000027654538 561877233 /nfs/dbraw/zinc/87/72/33/561877233.db2.gz WVYVSMXJBKALFJ-PFAPKONGSA-N 0 0 703.862 4.952 1 0 KJAFRN CC(=O)N(C)CC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000027655295 561877252 /nfs/dbraw/zinc/87/72/52/561877252.db2.gz ACPMOXVLJKNTRY-UHFFFAOYSA-N 0 0 528.234 4.732 1 0 KJAFRN CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000027655343 561877304 /nfs/dbraw/zinc/87/73/04/561877304.db2.gz WBDHSTSWDLNAGV-URLMMPGGSA-N 0 0 538.710 4.763 1 0 KJAFRN CC(C)[C@@H](NC(=O)N(C)Cc1cscn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027655691 561877438 /nfs/dbraw/zinc/87/74/38/561877438.db2.gz YEVPISBEUGTJBP-DMBLRCPMSA-N 0 0 672.852 4.720 1 0 KJAFRN CC(C)[C@H](NC(=O)N(C)Cc1cscn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027655694 561877442 /nfs/dbraw/zinc/87/74/42/561877442.db2.gz YEVPISBEUGTJBP-BBXFGWPUSA-N 0 0 672.852 4.720 1 0 KJAFRN CCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000027655815 561877495 /nfs/dbraw/zinc/87/74/95/561877495.db2.gz RWYJAGSBBFGNRQ-UHFFFAOYSA-N 0 0 528.234 4.780 1 0 KJAFRN CC(=O)N[C@H](C)C(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000027655817 561877498 /nfs/dbraw/zinc/87/74/98/561877498.db2.gz FIGSBZVTOUAGLI-GFCCVEGCSA-N 0 0 528.234 4.778 1 0 KJAFRN CC(=O)N[C@@H](C)C(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000027655819 561877485 /nfs/dbraw/zinc/87/74/85/561877485.db2.gz FIGSBZVTOUAGLI-LBPRGKRZSA-N 0 0 528.234 4.778 1 0 KJAFRN CC(C)[C@@H](NC(=O)N(C)Cc1cscn1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027655918 561877488 /nfs/dbraw/zinc/87/74/88/561877488.db2.gz LRQAWVKTNIFYGH-DMBLRCPMSA-N 0 0 672.852 4.720 1 0 KJAFRN CC(C)[C@H](NC(=O)N(C)Cc1cscn1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027655920 561877550 /nfs/dbraw/zinc/87/75/50/561877550.db2.gz LRQAWVKTNIFYGH-BBXFGWPUSA-N 0 0 672.852 4.720 1 0 KJAFRN CCCCc1nnc(SCc2ccccc2-c2nn[nH]n2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027655938 561877547 /nfs/dbraw/zinc/87/75/47/561877547.db2.gz WWQMNSWWHDREMQ-UHFFFAOYSA-N 0 0 549.668 4.989 1 0 KJAFRN COc1cc2c(cc1OC)CN(CCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)C)cc1)CC2 ZINC000027656099 561877539 /nfs/dbraw/zinc/87/75/39/561877539.db2.gz DYAVKLAUDQZKAQ-UHFFFAOYSA-N 0 0 501.627 4.868 1 0 KJAFRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)O[C@@H]1[C@@H](OC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c3c(ccc4ccc(=O)oc43)OC1(C)C)OC2=O ZINC000027656761 561877795 /nfs/dbraw/zinc/87/77/95/561877795.db2.gz ZJIDTNTWJHYPGM-YXBFDJINSA-N 0 0 622.667 4.704 1 0 KJAFRN Cc1cccc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027656788 561877808 /nfs/dbraw/zinc/87/78/08/561877808.db2.gz DIOVLNIYGDEBPJ-SKXFTCKDSA-N 0 0 680.850 4.967 1 0 KJAFRN Cc1cccc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027656790 561877784 /nfs/dbraw/zinc/87/77/84/561877784.db2.gz DIOVLNIYGDEBPJ-ZYADHFCISA-N 0 0 680.850 4.967 1 0 KJAFRN Cc1ncc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)nc1C ZINC000027656957 561877819 /nfs/dbraw/zinc/87/78/19/561877819.db2.gz USNVWKQEPROELL-HPSGNIKNSA-N 0 0 682.822 4.755 1 0 KJAFRN Cc1ncc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)nc1C ZINC000027656958 561877818 /nfs/dbraw/zinc/87/78/18/561877818.db2.gz USNVWKQEPROELL-OZFLXDGESA-N 0 0 682.822 4.755 1 0 KJAFRN COCc1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cs1 ZINC000027656960 561877820 /nfs/dbraw/zinc/87/78/20/561877820.db2.gz CBHCKMQMOYGSEO-JKAXMSHYSA-N 0 0 703.862 4.952 1 0 KJAFRN COCc1nc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cs1 ZINC000027656962 561877806 /nfs/dbraw/zinc/87/78/06/561877806.db2.gz CBHCKMQMOYGSEO-PFAPKONGSA-N 0 0 703.862 4.952 1 0 KJAFRN Cc1cccc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027657148 561877905 /nfs/dbraw/zinc/87/79/05/561877905.db2.gz ZPOPQWYHQXOPJV-SKXFTCKDSA-N 0 0 680.850 4.967 1 0 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ZINC000027657665 561878205 /nfs/dbraw/zinc/87/82/05/561878205.db2.gz STAPWWDAQQBQRD-GKCWTWCASA-N 0 0 659.809 4.805 1 0 KJAFRN COc1ccc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027657740 561878191 /nfs/dbraw/zinc/87/81/91/561878191.db2.gz WODDAZXKZGJJCB-TUCRWICHSA-N 0 0 683.806 4.752 1 0 KJAFRN COc1ccc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027657742 561878190 /nfs/dbraw/zinc/87/81/90/561878190.db2.gz WODDAZXKZGJJCB-UJWBSGRQSA-N 0 0 683.806 4.752 1 0 KJAFRN CC(C)[C@@H](NC(=O)OCc1nccs1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027657757 561878185 /nfs/dbraw/zinc/87/81/85/561878185.db2.gz PZVCINRSNYAYBM-OEJLITGSSA-N 0 0 659.809 4.805 1 0 KJAFRN CC(C)[C@H](NC(=O)OCc1nccs1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027657759 561878201 /nfs/dbraw/zinc/87/82/01/561878201.db2.gz PZVCINRSNYAYBM-GKCWTWCASA-N 0 0 659.809 4.805 1 0 KJAFRN COc1ccc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027657861 561878341 /nfs/dbraw/zinc/87/83/41/561878341.db2.gz NGQKDHYHLZRDDS-TUCRWICHSA-N 0 0 683.806 4.752 1 0 KJAFRN COc1ccc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027657863 561878329 /nfs/dbraw/zinc/87/83/29/561878329.db2.gz NGQKDHYHLZRDDS-UJWBSGRQSA-N 0 0 683.806 4.752 1 0 KJAFRN COc1cncc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027657916 561878251 /nfs/dbraw/zinc/87/82/51/561878251.db2.gz OPSPDSIXNZRPRW-ZYXDSXQBSA-N 0 0 696.849 4.667 1 0 KJAFRN COc1cncc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027657918 561878263 /nfs/dbraw/zinc/87/82/63/561878263.db2.gz OPSPDSIXNZRPRW-BIOLIVNTSA-N 0 0 696.849 4.667 1 0 KJAFRN 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ZINC000027704301 561878513 /nfs/dbraw/zinc/87/85/13/561878513.db2.gz RXWAUJLGVAJOIM-XGKFQTDJSA-N 0 0 688.826 4.968 1 0 KJAFRN CC(C)[C@@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027704823 561878604 /nfs/dbraw/zinc/87/86/04/561878604.db2.gz CAUQSBUNYZHZPJ-AYXCPNKJSA-N 0 0 666.823 4.659 1 0 KJAFRN CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027704827 561878622 /nfs/dbraw/zinc/87/86/22/561878622.db2.gz CAUQSBUNYZHZPJ-BBACVFHCSA-N 0 0 666.823 4.659 1 0 KJAFRN Cc1ncc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)nc1C ZINC000027704906 561878670 /nfs/dbraw/zinc/87/86/70/561878670.db2.gz NLHNRYFSESAJGT-HPSGNIKNSA-N 0 0 682.822 4.755 1 0 KJAFRN Cc1ncc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)nc1C ZINC000027704911 561878612 /nfs/dbraw/zinc/87/86/12/561878612.db2.gz NLHNRYFSESAJGT-OZFLXDGESA-N 0 0 682.822 4.755 1 0 KJAFRN COCc1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cs1 ZINC000027705700 561878744 /nfs/dbraw/zinc/87/87/44/561878744.db2.gz RNFFKOJVOXBXQJ-GCWKJIDRSA-N 0 0 716.905 4.867 1 0 KJAFRN COCc1nc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cs1 ZINC000027705705 561878745 /nfs/dbraw/zinc/87/87/45/561878745.db2.gz RNFFKOJVOXBXQJ-GYBNHCGYSA-N 0 0 716.905 4.867 1 0 KJAFRN CC(C)[C@@H](NC(=O)OCc1csc(N(C)C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027706055 561878746 /nfs/dbraw/zinc/87/87/46/561878746.db2.gz DTFGAQCQSIZWSV-DMBLRCPMSA-N 0 0 702.878 4.871 1 0 KJAFRN CC(C)[C@H](NC(=O)OCc1csc(N(C)C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027706059 561878769 /nfs/dbraw/zinc/87/87/69/561878769.db2.gz DTFGAQCQSIZWSV-BBXFGWPUSA-N 0 0 702.878 4.871 1 0 KJAFRN 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ZINC000027707860 561879118 /nfs/dbraw/zinc/87/91/18/561879118.db2.gz OUEILWPEIMMXFW-SKXFTCKDSA-N 0 0 680.850 4.967 1 0 KJAFRN Cc1cncc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027707865 561879095 /nfs/dbraw/zinc/87/90/95/561879095.db2.gz OUEILWPEIMMXFW-ZYADHFCISA-N 0 0 680.850 4.967 1 0 KJAFRN CC(C)[C@@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1ccoc1 ZINC000027707946 561879077 /nfs/dbraw/zinc/87/90/77/561879077.db2.gz ILNDFDLDONFHSM-GZXHTMMISA-N 0 0 655.796 4.857 1 0 KJAFRN CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1ccoc1 ZINC000027707951 561879125 /nfs/dbraw/zinc/87/91/25/561879125.db2.gz ILNDFDLDONFHSM-CUPIEXAXSA-N 0 0 655.796 4.857 1 0 KJAFRN COc1ccc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)nc1 ZINC000027707961 561879122 /nfs/dbraw/zinc/87/91/22/561879122.db2.gz VHZHUBNDTBKBPT-ZYXDSXQBSA-N 0 0 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Cc1ccc(CNC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027709421 561879409 /nfs/dbraw/zinc/87/94/09/561879409.db2.gz ZZZRLJNAYRXPIA-AYXCPNKJSA-N 0 0 666.823 4.625 1 0 KJAFRN Cc1ccc(CNC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027709425 561879421 /nfs/dbraw/zinc/87/94/21/561879421.db2.gz ZZZRLJNAYRXPIA-BBACVFHCSA-N 0 0 666.823 4.625 1 0 KJAFRN Cc1cncc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027709863 561879454 /nfs/dbraw/zinc/87/94/54/561879454.db2.gz BEMFUNNTWMGFEM-SKXFTCKDSA-N 0 0 680.850 4.967 1 0 KJAFRN Cc1cncc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027709867 561879399 /nfs/dbraw/zinc/87/93/99/561879399.db2.gz BEMFUNNTWMGFEM-ZYADHFCISA-N 0 0 680.850 4.967 1 0 KJAFRN CC(C)[C@@H](NC(=O)OCc1csc(N2CCOCC2)n1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027710390 561879548 /nfs/dbraw/zinc/87/95/48/561879548.db2.gz XGDYIYDCCBCEQO-HPSGNIKNSA-N 0 0 744.915 4.642 1 0 KJAFRN CC(C)[C@H](NC(=O)OCc1csc(N2CCOCC2)n1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027710395 561879515 /nfs/dbraw/zinc/87/95/15/561879515.db2.gz XGDYIYDCCBCEQO-OZFLXDGESA-N 0 0 744.915 4.642 1 0 KJAFRN CC(C)[C@@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027710600 561879555 /nfs/dbraw/zinc/87/95/55/561879555.db2.gz SSIBMWPFXYSVEK-GZXHTMMISA-N 0 0 653.780 4.744 1 0 KJAFRN COc1ccc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)nc1 ZINC000027711128 561879592 /nfs/dbraw/zinc/87/95/92/561879592.db2.gz WREBNBJWQDJRGR-OZFLXDGESA-N 0 0 683.806 4.752 1 0 KJAFRN COc1ccc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)nc1 ZINC000027711133 561879675 /nfs/dbraw/zinc/87/96/75/561879675.db2.gz WREBNBJWQDJRGR-HPSGNIKNSA-N 0 0 683.806 4.752 1 0 KJAFRN COc1cncc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027712132 561879760 /nfs/dbraw/zinc/87/97/60/561879760.db2.gz WIKLWKGOGKMXRE-ZYXDSXQBSA-N 0 0 696.849 4.667 1 0 KJAFRN COc1cncc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)c1 ZINC000027712137 561879796 /nfs/dbraw/zinc/87/97/96/561879796.db2.gz WIKLWKGOGKMXRE-BIOLIVNTSA-N 0 0 696.849 4.667 1 0 KJAFRN CC(C)[C@@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1ccoc1 ZINC000027712142 561879782 /nfs/dbraw/zinc/87/97/82/561879782.db2.gz DGENTSDSRIBXIE-ZWDYZTTJSA-N 0 0 642.753 4.942 1 0 KJAFRN CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1ccoc1 ZINC000027712148 561879816 /nfs/dbraw/zinc/87/98/16/561879816.db2.gz DGENTSDSRIBXIE-YRCZKMHPSA-N 0 0 642.753 4.942 1 0 KJAFRN CC(C)c1nc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2ccno2)C(C)C)co1 ZINC000027712613 561879903 /nfs/dbraw/zinc/87/99/03/561879903.db2.gz XRJFETNDZMYTSA-OOUBJREFSA-N 0 0 688.826 4.968 1 0 KJAFRN COc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C)cc1 ZINC000027713888 561879998 /nfs/dbraw/zinc/87/99/98/561879998.db2.gz IZAFKVHSLQQQDE-NFFKMHHLSA-N 0 0 636.661 4.966 1 0 KJAFRN Cc1ccc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027717978 561880423 /nfs/dbraw/zinc/88/04/23/561880423.db2.gz BUGVUVBZHZLJSV-SKXFTCKDSA-N 0 0 680.850 4.967 1 0 KJAFRN Cc1ccc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027717980 561880413 /nfs/dbraw/zinc/88/04/13/561880413.db2.gz BUGVUVBZHZLJSV-ZYADHFCISA-N 0 0 680.850 4.967 1 0 KJAFRN 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ZINC000027734973 561881720 /nfs/dbraw/zinc/88/17/20/561881720.db2.gz NXYLRJUEOJFSAR-UHFFFAOYSA-N 0 0 513.646 4.686 1 0 KJAFRN CCCc1nc(CC)c(C(=O)O[C@@H](C)OC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027735186 561881775 /nfs/dbraw/zinc/88/17/75/561881775.db2.gz ZGOTUDSLCLNVGS-QGZVFWFLSA-N 0 0 518.574 4.579 1 0 KJAFRN CCCc1nc(CC)c(C(=O)O[C@H](C)OC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027735192 561881746 /nfs/dbraw/zinc/88/17/46/561881746.db2.gz ZGOTUDSLCLNVGS-KRWDZBQOSA-N 0 0 518.574 4.579 1 0 KJAFRN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735396 561881766 /nfs/dbraw/zinc/88/17/66/561881766.db2.gz XNRKYLJLDJVTPO-OAQYLSRUSA-N 0 0 598.119 4.993 1 0 KJAFRN O=C([O-])CC/C=C\CO[C@H]1[C@H](OCc2ccc(-c3ccncc3CO)cc2)CC[C@@H]1[NH+]1CCCCCC1 ZINC000027736036 561881899 /nfs/dbraw/zinc/88/18/99/561881899.db2.gz YBCQOWWJDRETOA-PCFKBGPBSA-N 0 0 508.659 4.971 1 0 KJAFRN O=C([O-])CC/C=C\CO[C@H]1[C@H](OCc2ccc(-c3cncc(CO)c3)cc2)CC[C@@H]1[NH+]1CCCCCC1 ZINC000027736715 561882050 /nfs/dbraw/zinc/88/20/50/561882050.db2.gz LDWKPIFSGPLNJT-PCFKBGPBSA-N 0 0 508.659 4.971 1 0 KJAFRN CCCc1nc(CC)c(C(=O)OCOC(=O)C(C)C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027736989 561882033 /nfs/dbraw/zinc/88/20/33/561882033.db2.gz IDFCVRWDUJXLRG-UHFFFAOYSA-N 0 0 516.602 4.607 1 0 KJAFRN CCCCc1ccc(CNS(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027737596 561882176 /nfs/dbraw/zinc/88/21/76/561882176.db2.gz CIOKNOBIWDNROB-UHFFFAOYSA-N 0 0 568.703 4.873 1 0 KJAFRN CCCCc1ccc(CNS(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027737604 561882115 /nfs/dbraw/zinc/88/21/15/561882115.db2.gz DHRFZIYLZZUOCX-UHFFFAOYSA-N 0 0 554.676 4.565 1 0 KJAFRN CCCCc1ccc(CN(C)S(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027738739 561882135 /nfs/dbraw/zinc/88/21/35/561882135.db2.gz YLJPTSDOHKZHTP-UHFFFAOYSA-N 0 0 568.703 4.907 1 0 KJAFRN CCCc1nc(CC)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027738948 561882283 /nfs/dbraw/zinc/88/22/83/561882283.db2.gz QTJMKBIDKRPYTG-UHFFFAOYSA-N 0 0 528.569 4.505 1 0 KJAFRN CCCCc1ccc(CNC(=O)Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027739092 561882260 /nfs/dbraw/zinc/88/22/60/561882260.db2.gz CQIVQSSPEIWGIA-UHFFFAOYSA-N 0 0 532.648 4.945 1 0 KJAFRN CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000027741061 561882534 /nfs/dbraw/zinc/88/25/34/561882534.db2.gz PTKUXWVYYVOZRE-NSOVKSMOSA-N 0 0 576.715 4.507 1 0 KJAFRN Cc1ccccc1C(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027744860 561882973 /nfs/dbraw/zinc/88/29/73/561882973.db2.gz LJHMLLJIVTYZAV-HSZRJFAPSA-N 0 0 577.701 4.648 1 0 KJAFRN C[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027745839 561882951 /nfs/dbraw/zinc/88/29/51/561882951.db2.gz IQWJNZVQZKBYCX-JOCHJYFZSA-N 0 0 563.674 4.541 1 0 KJAFRN O=C([O-])CC/C=C\CO[C@H]1[C@H](OCc2ccc(-c3cccnc3CO)cc2)CC[C@@H]1[NH+]1CCCCCC1 ZINC000027747596 561883084 /nfs/dbraw/zinc/88/30/84/561883084.db2.gz PJTDGAAOPNDSMH-PCFKBGPBSA-N 0 0 508.659 4.971 1 0 KJAFRN O=C([O-])CC/C=C\CO[C@H]1[C@H](OCc2ccc(-c3cnccc3CO)cc2)CC[C@@H]1[NH+]1CCCCCC1 ZINC000027753114 561883351 /nfs/dbraw/zinc/88/33/51/561883351.db2.gz WXWUURITEUPWMN-PCFKBGPBSA-N 0 0 508.659 4.971 1 0 KJAFRN CCCCc1ccc(CNC(=O)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027754478 561883510 /nfs/dbraw/zinc/88/35/10/561883510.db2.gz FEOCKLWGGSEGBV-UHFFFAOYSA-N 0 0 513.646 4.638 1 0 KJAFRN COc1cc2ncnc(Nc3ccc(CS(=O)(=O)/C=C/c4ccc(F)cc4)cc3)c2cc1OCCN1CCOCC1 ZINC000027764857 561884527 /nfs/dbraw/zinc/88/45/27/561884527.db2.gz JUPIRBLQFUOEFN-LICLKQGHSA-N 0 0 578.666 4.818 1 0 KJAFRN CNc1n[nH]c2ccc(CN3C(=O)N(Cc4ccc5[nH]nc(NC)c5c4)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]3Cc3ccccc3)cc21 ZINC000027767645 561884759 /nfs/dbraw/zinc/88/47/59/561884759.db2.gz LBKKHTKXYVYCDI-WZJLIZBTSA-N 0 0 644.780 4.905 1 0 KJAFRN CC(C)(C)NC(=O)c1ccccc1SC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc2ccccc2n1 ZINC000027843061 561885329 /nfs/dbraw/zinc/88/53/29/561885329.db2.gz WUKJEFNPEGTCHI-OWHBQTKESA-N 0 0 664.832 4.708 1 0 KJAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H]3CCCN3C2=O)cc1Cl ZINC000027853442 561886366 /nfs/dbraw/zinc/88/63/66/561886366.db2.gz HSEMOPIOMLHLAK-ZYSNWTBOSA-N 0 0 667.199 4.973 1 0 KJAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](C)NC2=O)cc1Cl ZINC000027858509 561886777 /nfs/dbraw/zinc/88/67/77/561886777.db2.gz MSKJUOSYEQXINZ-IRJQJINBSA-N 0 0 655.188 4.877 1 0 KJAFRN CSc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027859165 561886907 /nfs/dbraw/zinc/88/69/07/561886907.db2.gz ZXPNRBAFLYIUGD-MUUNZHRXSA-N 0 0 569.775 4.788 1 0 KJAFRN CSc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027859172 561886877 /nfs/dbraw/zinc/88/68/77/561886877.db2.gz ZXPNRBAFLYIUGD-NDEPHWFRSA-N 0 0 569.775 4.788 1 0 KJAFRN NC(=O)COc1c(CN2CCN(c3ccc(Cl)cc3)CC2)cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(F)c1F ZINC000027859385 561886862 /nfs/dbraw/zinc/88/68/62/561886862.db2.gz IMFWMRZIOYACAE-UHFFFAOYSA-N 0 0 604.529 4.780 1 0 KJAFRN CC(C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027859864 561886897 /nfs/dbraw/zinc/88/68/97/561886897.db2.gz CNFABQCMMPFOSJ-FQLXRVMXSA-N 0 0 545.127 4.554 1 0 KJAFRN O=C(c1ccnc(Cl)c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000027860651 561886998 /nfs/dbraw/zinc/88/69/98/561886998.db2.gz IPBTXMKQNSMMMI-UHFFFAOYSA-N 0 0 500.363 4.633 1 0 KJAFRN CCOC(=O)N(Cc1ccccc1OC)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000027860942 561886955 /nfs/dbraw/zinc/88/69/55/561886955.db2.gz BRLRPZHZRJLASK-MUUNZHRXSA-N 0 0 583.733 4.685 1 0 KJAFRN CCOC(=O)N(Cc1ccccc1OC)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000027860949 561887025 /nfs/dbraw/zinc/88/70/25/561887025.db2.gz BRLRPZHZRJLASK-NDEPHWFRSA-N 0 0 583.733 4.685 1 0 KJAFRN CC(=O)N(Cc1ccccc1Cl)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000027861626 561887127 /nfs/dbraw/zinc/88/71/27/561887127.db2.gz HEGGNUSNVKNEOF-HHHXNRCGSA-N 0 0 558.126 4.720 1 0 KJAFRN CC(=O)N(Cc1ccccc1Cl)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000027861634 561887115 /nfs/dbraw/zinc/88/71/15/561887115.db2.gz HEGGNUSNVKNEOF-MHZLTWQESA-N 0 0 558.126 4.720 1 0 KJAFRN COc1ccccc1CN(C[C@@H](Cc1ccc2ccccc2c1)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027862107 561887100 /nfs/dbraw/zinc/88/71/00/561887100.db2.gz USCFRWZCWBRYBB-JGCGQSQUSA-N 0 0 564.730 4.747 1 0 KJAFRN COc1ccccc1CN(C[C@H](Cc1ccc2ccccc2c1)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027862115 561887265 /nfs/dbraw/zinc/88/72/65/561887265.db2.gz USCFRWZCWBRYBB-YTTGMZPUSA-N 0 0 564.730 4.747 1 0 KJAFRN C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C ZINC000027862392 561887307 /nfs/dbraw/zinc/88/73/07/561887307.db2.gz VPKWAUQGXHGIAK-RPWUZVMVSA-N 0 0 575.731 4.620 1 0 KJAFRN COc1ccccc1CN(C[C@@H](Cc1cccc2ccccc21)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027863359 561887390 /nfs/dbraw/zinc/88/73/90/561887390.db2.gz CBNOGVWRWFAMFM-WJOKGBTCSA-N 0 0 564.730 4.747 1 0 KJAFRN COc1ccccc1CN(C[C@H](Cc1cccc2ccccc21)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027863366 561887370 /nfs/dbraw/zinc/88/73/70/561887370.db2.gz CBNOGVWRWFAMFM-HKBQPEDESA-N 0 0 564.730 4.747 1 0 KJAFRN Cc1cc(=O)oc2c1cc(CO)c1c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C(C)(C)O1 ZINC000027864625 561887537 /nfs/dbraw/zinc/88/75/37/561887537.db2.gz MXAXFZXRVALDIR-CTAQNPQRSA-N 0 0 666.720 4.505 1 0 KJAFRN COc1ccccc1CN(C[C@@H](Cc1csc2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027864760 561887585 /nfs/dbraw/zinc/88/75/85/561887585.db2.gz RLZAHUJYUFOJFC-MUUNZHRXSA-N 0 0 570.759 4.808 1 0 KJAFRN COc1ccccc1CN(C[C@H](Cc1csc2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(C)=O ZINC000027864767 561887560 /nfs/dbraw/zinc/88/75/60/561887560.db2.gz RLZAHUJYUFOJFC-NDEPHWFRSA-N 0 0 570.759 4.808 1 0 KJAFRN COc1cc2c(cc1S(=O)(=O)c1ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc1)OCO2 ZINC000027869659 561888025 /nfs/dbraw/zinc/88/80/25/561888025.db2.gz MCWUCXFVKUSMAV-RPBOFIJWSA-N 0 0 619.784 4.937 1 0 KJAFRN COc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027869801 561888089 /nfs/dbraw/zinc/88/80/89/561888089.db2.gz BKXOTORSBCICHR-RPWUZVMVSA-N 0 0 605.757 4.629 1 0 KJAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2cccc3ccc(O)cc32)c(I)c1)C(=O)[O-] ZINC000027871445 561888353 /nfs/dbraw/zinc/88/83/53/561888353.db2.gz JZMWRHOXTVAEEF-INIZCTEOSA-N 0 0 575.140 4.501 1 0 KJAFRN [NH3+][C@H](Cc1cc(I)c(Oc2cccc3ccc(O)cc32)c(I)c1)C(=O)[O-] ZINC000027871452 561888383 /nfs/dbraw/zinc/88/83/83/561888383.db2.gz JZMWRHOXTVAEEF-MRXNPFEDSA-N 0 0 575.140 4.501 1 0 KJAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2cccc3c(O)cccc23)c(I)c1)C(=O)[O-] ZINC000027873815 561888534 /nfs/dbraw/zinc/88/85/34/561888534.db2.gz YJJLLCWNZWYNME-HNNXBMFYSA-N 0 0 575.140 4.501 1 0 KJAFRN [NH3+][C@H](Cc1cc(I)c(Oc2cccc3c(O)cccc23)c(I)c1)C(=O)[O-] ZINC000027873822 561888467 /nfs/dbraw/zinc/88/84/67/561888467.db2.gz YJJLLCWNZWYNME-OAHLLOKOSA-N 0 0 575.140 4.501 1 0 KJAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c3ccccc23)c(I)c1)C(=O)[O-] ZINC000027873830 561888556 /nfs/dbraw/zinc/88/85/56/561888556.db2.gz XLOZWCFQEIFBNM-HNNXBMFYSA-N 0 0 575.140 4.501 1 0 KJAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c3ccccc23)c(I)c1)C(=O)[O-] ZINC000027873835 561888499 /nfs/dbraw/zinc/88/84/99/561888499.db2.gz XLOZWCFQEIFBNM-OAHLLOKOSA-N 0 0 575.140 4.501 1 0 KJAFRN Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027876262 561888686 /nfs/dbraw/zinc/88/86/86/561888686.db2.gz YXKPCWWWJNWLLV-RPBOFIJWSA-N 0 0 589.758 4.928 1 0 KJAFRN COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2cncc(C(=O)NCCN3CCOCC3)c2)cc1 ZINC000027877268 561888784 /nfs/dbraw/zinc/88/87/84/561888784.db2.gz XTKPQKGVQTUPNC-UHFFFAOYSA-N 0 0 559.545 4.607 1 0 KJAFRN CC(=O)Nc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027878757 561888930 /nfs/dbraw/zinc/88/89/30/561888930.db2.gz IHEAXWKBUIKJEB-RPWUZVMVSA-N 0 0 632.783 4.578 1 0 KJAFRN COc1c2c(ccc1S(=O)(=O)c1ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc1)OCO2 ZINC000027880265 561889014 /nfs/dbraw/zinc/88/90/14/561889014.db2.gz UXPCSADFQCSLNA-RPBOFIJWSA-N 0 0 619.784 4.937 1 0 KJAFRN COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c2c1OCO2 ZINC000027880272 561889054 /nfs/dbraw/zinc/88/90/54/561889054.db2.gz HOCPKTIHXWPWAJ-RPBOFIJWSA-N 0 0 619.784 4.937 1 0 KJAFRN C[C@@]([NH3+])(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000027884117 561889339 /nfs/dbraw/zinc/88/93/39/561889339.db2.gz KEICGMSXAYQUFS-SFMDGOMNSA-N 0 0 557.691 4.913 1 0 KJAFRN COC(=O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000027885264 561889421 /nfs/dbraw/zinc/88/94/21/561889421.db2.gz YGCPSXMSPDEGJI-JCCQREKTSA-N 0 0 655.792 4.567 1 0 KJAFRN COC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000027885272 561889451 /nfs/dbraw/zinc/88/94/51/561889451.db2.gz YGCPSXMSPDEGJI-DVQSUWLUSA-N 0 0 655.792 4.567 1 0 KJAFRN COC(=O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000027885280 561889403 /nfs/dbraw/zinc/88/94/03/561889403.db2.gz YGCPSXMSPDEGJI-QUUJSONZSA-N 0 0 655.792 4.567 1 0 KJAFRN COC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O ZINC000027885287 561889416 /nfs/dbraw/zinc/88/94/16/561889416.db2.gz YGCPSXMSPDEGJI-DKWHRJCPSA-N 0 0 655.792 4.567 1 0 KJAFRN CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C ZINC000027886170 561889584 /nfs/dbraw/zinc/88/95/84/561889584.db2.gz CQWJAQIOGDPLOY-RTNMLALUSA-N 0 0 619.803 4.696 1 0 KJAFRN CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C(=O)OC(C)C ZINC000027886178 561889592 /nfs/dbraw/zinc/88/95/92/561889592.db2.gz CQWJAQIOGDPLOY-YDPTYEFTSA-N 0 0 619.803 4.696 1 0 KJAFRN CCOC(=O)c1cccc(NC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 ZINC000027887323 561889558 /nfs/dbraw/zinc/88/95/58/561889558.db2.gz BTXKHCHLZQROCG-UHFFFAOYSA-N 0 0 500.555 4.671 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1cc2ccccc2o1 ZINC000027889583 561889818 /nfs/dbraw/zinc/88/98/18/561889818.db2.gz SMBPZLWPLFCGIZ-YGPDHOBYSA-N 0 0 547.652 4.698 1 0 KJAFRN CC(C)Oc1cccc(-n2c(CNC(=O)NCc3ccc(Br)cc3)nc3ccccc3c2=O)c1 ZINC000027891772 561889924 /nfs/dbraw/zinc/88/99/24/561889924.db2.gz SVPRXCNLWFSJRD-UHFFFAOYSA-N 0 0 521.415 4.935 1 0 KJAFRN C[C@@]([NH3+])(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000027893346 561889935 /nfs/dbraw/zinc/88/99/35/561889935.db2.gz IBAJNDBMJZHILE-BPRKCTTGSA-N 0 0 614.743 4.549 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2ccccc2s1 ZINC000027899054 561890625 /nfs/dbraw/zinc/89/06/25/561890625.db2.gz CRBPOVQLGBBSBX-HVCNVCAESA-N 0 0 564.708 4.562 1 0 KJAFRN CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C ZINC000027899167 561890630 /nfs/dbraw/zinc/89/06/30/561890630.db2.gz JLJYBTISGWQOQX-MLMSKLGMSA-N 0 0 619.803 4.552 1 0 KJAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C ZINC000027899171 561890641 /nfs/dbraw/zinc/89/06/41/561890641.db2.gz JLJYBTISGWQOQX-RTNMLALUSA-N 0 0 619.803 4.552 1 0 KJAFRN CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C(=O)OC(C)C ZINC000027899175 561890638 /nfs/dbraw/zinc/89/06/38/561890638.db2.gz JLJYBTISGWQOQX-RACKDBBVSA-N 0 0 619.803 4.552 1 0 KJAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C(=O)OC(C)C ZINC000027899179 561890632 /nfs/dbraw/zinc/89/06/32/561890632.db2.gz JLJYBTISGWQOQX-YDPTYEFTSA-N 0 0 619.803 4.552 1 0 KJAFRN CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027899442 561890643 /nfs/dbraw/zinc/89/06/43/561890643.db2.gz UYKUVULSCYIZLX-QUUJSONZSA-N 0 0 680.887 4.601 1 0 KJAFRN CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027899444 561890663 /nfs/dbraw/zinc/89/06/63/561890663.db2.gz UYKUVULSCYIZLX-DKWHRJCPSA-N 0 0 680.887 4.601 1 0 KJAFRN CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(C)C ZINC000027899484 561890780 /nfs/dbraw/zinc/89/07/80/561890780.db2.gz IBLLBXKYLXOGGR-AGGIAQGOSA-N 0 0 628.899 4.804 1 0 KJAFRN CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C ZINC000027899487 561890791 /nfs/dbraw/zinc/89/07/91/561890791.db2.gz IBLLBXKYLXOGGR-ZTTXAYQISA-N 0 0 628.899 4.804 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1ncoc1-c1ccccc1 ZINC000027900449 561890861 /nfs/dbraw/zinc/89/08/61/561890861.db2.gz KUMYFUWSFBVYTN-GSDHBNRESA-N 0 0 574.678 4.607 1 0 KJAFRN CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)CC[C@@H](O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000027900948 561891008 /nfs/dbraw/zinc/89/10/08/561891008.db2.gz PIQSUFGENXCHSJ-ALJNDBQTSA-N 0 0 682.903 4.598 1 0 KJAFRN CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000027900953 561890986 /nfs/dbraw/zinc/89/09/86/561890986.db2.gz PIQSUFGENXCHSJ-LJADHVKFSA-N 0 0 682.903 4.598 1 0 KJAFRN CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)CC[C@@H](O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000027900959 561890990 /nfs/dbraw/zinc/89/09/90/561890990.db2.gz PIQSUFGENXCHSJ-KSVMHDQPSA-N 0 0 682.903 4.598 1 0 KJAFRN CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000027900963 561891012 /nfs/dbraw/zinc/89/10/12/561891012.db2.gz PIQSUFGENXCHSJ-PJRHAEEISA-N 0 0 682.903 4.598 1 0 KJAFRN CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)COc1ccccc1)C(C)C)C(=O)NCc1ccccn1 ZINC000027902608 561891060 /nfs/dbraw/zinc/89/10/60/561891060.db2.gz QDOGNKPGDPBJGC-CIPPUOHOSA-N 0 0 608.824 4.786 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)COc1ccccc1)C(C)C)C(=O)NCc1ccccn1 ZINC000027902618 561891063 /nfs/dbraw/zinc/89/10/63/561891063.db2.gz QDOGNKPGDPBJGC-HYFAYLNHSA-N 0 0 608.824 4.786 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(O)c3)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1O ZINC000027979355 561891408 /nfs/dbraw/zinc/89/14/08/561891408.db2.gz PIJSUFSQZFVNPL-WLZNGNGHSA-N 0 0 525.941 4.585 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc5c(c3)OCO5)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1O ZINC000027979361 561891473 /nfs/dbraw/zinc/89/14/73/561891473.db2.gz KDLIIVPTMGFPEA-VYRLLOQTSA-N 0 0 553.951 4.608 1 0 KJAFRN CC(C)CC(=O)N[C@H](/C=C/CC(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1)Cc1ccccc1 ZINC000027981008 561891703 /nfs/dbraw/zinc/89/17/03/561891703.db2.gz QCJRQMMZRKTPQU-XPUOLTDFSA-N 0 0 648.889 4.836 1 0 KJAFRN CC(C)CC(=O)N[C@H](/C=C/CC(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1)Cc1ccccc1 ZINC000027981016 561891643 /nfs/dbraw/zinc/89/16/43/561891643.db2.gz QCJRQMMZRKTPQU-UULRQDOPSA-N 0 0 648.889 4.836 1 0 KJAFRN CCc1cc(NS(=O)(=O)c2ccc3c(cccc3N(C)C)c2)cc(CC)c1-n1c(=O)c2ccccc2n(C)c1=O ZINC000027981603 561891628 /nfs/dbraw/zinc/89/16/28/561891628.db2.gz TXQLSRMMWOKDRH-UHFFFAOYSA-N 0 0 556.688 4.834 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc5c(c3)OCCO5)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1O ZINC000027983512 561891968 /nfs/dbraw/zinc/89/19/68/561891968.db2.gz IWJAVBUOXWJQHQ-KJPXCWHJSA-N 0 0 567.978 4.651 1 0 KJAFRN CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000027984293 561892067 /nfs/dbraw/zinc/89/20/67/561892067.db2.gz YEFCBTUORCACJZ-XMMPIXPASA-N 0 0 541.564 4.855 1 0 KJAFRN CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000027984299 561892071 /nfs/dbraw/zinc/89/20/71/561892071.db2.gz YEFCBTUORCACJZ-DEOSSOPVSA-N 0 0 541.564 4.855 1 0 KJAFRN CCCN(CCc1c2c(nc3ccccc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC)C(=O)OCc1ccccc1 ZINC000027984817 561892066 /nfs/dbraw/zinc/89/20/66/561892066.db2.gz YAYJCWOTIVMBGB-MGBGTMOVSA-N 0 0 567.642 4.671 1 0 KJAFRN CCCN(CCc1c2c(nc3ccccc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC)C(=O)OCc1ccccc1 ZINC000027984823 561892057 /nfs/dbraw/zinc/89/20/57/561892057.db2.gz YAYJCWOTIVMBGB-XIFFEERXSA-N 0 0 567.642 4.671 1 0 KJAFRN CC(C)CC(=O)N[C@H](CSCC(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1)Cc1ccccc1 ZINC000027986769 561892361 /nfs/dbraw/zinc/89/23/61/561892361.db2.gz VEEQHWGKBJRMCG-YRCZKMHPSA-N 0 0 668.945 4.622 1 0 KJAFRN CC(C)CC(=O)N[C@H](CSCC(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1)Cc1ccccc1 ZINC000027986776 561892369 /nfs/dbraw/zinc/89/23/69/561892369.db2.gz VEEQHWGKBJRMCG-ZWDYZTTJSA-N 0 0 668.945 4.622 1 0 KJAFRN CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000027987273 561892490 /nfs/dbraw/zinc/89/24/90/561892490.db2.gz IEVNKALGIDLHRQ-MUUNZHRXSA-N 0 0 522.734 4.701 1 0 KJAFRN CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)N1CCN(C)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000027987279 561892548 /nfs/dbraw/zinc/89/25/48/561892548.db2.gz IEVNKALGIDLHRQ-NDEPHWFRSA-N 0 0 522.734 4.701 1 0 KJAFRN NC(=O)N1CCCc2c(C(=O)N3CCN([C@@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)cccc21 ZINC000027988680 561892684 /nfs/dbraw/zinc/89/26/84/561892684.db2.gz YAQSQCSGCIOOMR-HHHXNRCGSA-N 0 0 594.941 4.975 1 0 KJAFRN NC(=O)N1CCCc2c(C(=O)N3CCN([C@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)cccc21 ZINC000027988686 561892721 /nfs/dbraw/zinc/89/27/21/561892721.db2.gz YAQSQCSGCIOOMR-MHZLTWQESA-N 0 0 594.941 4.975 1 0 KJAFRN CC(C)(C)NC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027993702 561893425 /nfs/dbraw/zinc/89/34/25/561893425.db2.gz OWASIDDNULCWSC-MUUNZHRXSA-N 0 0 538.136 4.677 1 0 KJAFRN CC(C)(C)NC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027993707 561893446 /nfs/dbraw/zinc/89/34/46/561893446.db2.gz OWASIDDNULCWSC-NDEPHWFRSA-N 0 0 538.136 4.677 1 0 KJAFRN CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccccc1)C(C)C ZINC000027994495 561893657 /nfs/dbraw/zinc/89/36/57/561893657.db2.gz XLHLDCVJLJQLIL-XIFFEERXSA-N 0 0 567.642 4.669 1 0 KJAFRN CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccccc1)C(C)C ZINC000027994502 561893599 /nfs/dbraw/zinc/89/35/99/561893599.db2.gz XLHLDCVJLJQLIL-MGBGTMOVSA-N 0 0 567.642 4.669 1 0 KJAFRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027997010 561893947 /nfs/dbraw/zinc/89/39/47/561893947.db2.gz TVZVOJIWZQOCOY-AREMUKBSSA-N 0 0 525.093 4.714 1 0 KJAFRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027997014 561894042 /nfs/dbraw/zinc/89/40/42/561894042.db2.gz TVZVOJIWZQOCOY-SANMLTNESA-N 0 0 525.093 4.714 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000028003948 561895194 /nfs/dbraw/zinc/89/51/94/561895194.db2.gz PRTZELVVYWACOX-LJADHVKFSA-N 0 0 706.929 4.570 1 0 KJAFRN O=C(c1cccc2c1ccc[n+]2[O-])N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028004372 561895221 /nfs/dbraw/zinc/89/52/21/561895221.db2.gz UDKHNMUVACXLAC-HHHXNRCGSA-N 0 0 563.883 4.930 1 0 KJAFRN O=C(c1cccc2c1ccc[n+]2[O-])N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028004377 561895217 /nfs/dbraw/zinc/89/52/17/561895217.db2.gz UDKHNMUVACXLAC-MHZLTWQESA-N 0 0 563.883 4.930 1 0 KJAFRN COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1 ZINC000028005571 561895490 /nfs/dbraw/zinc/89/54/90/561895490.db2.gz APEZAVRXLYETFX-GOTSBHOMSA-N 0 0 552.759 4.847 1 0 KJAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4c3ccnc4Cl)cc1)cn2C(=O)N(C)C ZINC000028006817 561895693 /nfs/dbraw/zinc/89/56/93/561895693.db2.gz GVMWPFHZERNMFC-UHFFFAOYSA-N 0 0 529.984 4.943 1 0 KJAFRN Cc1ccsc1C(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000028007133 561895766 /nfs/dbraw/zinc/89/57/66/561895766.db2.gz GAQCLBAGKXMBOI-UHFFFAOYSA-N 0 0 568.717 4.766 1 0 KJAFRN COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000028012289 561896546 /nfs/dbraw/zinc/89/65/46/561896546.db2.gz SDNYIXQEVDNMRR-ZEQRLZLVSA-N 0 0 534.719 4.936 1 0 KJAFRN COCCN(Cc1ccccc1)c1nc(C)nc2c1n(C)c(=O)n2-c1ccc(C(C)C)cc1Br ZINC000028015361 561897110 /nfs/dbraw/zinc/89/71/10/561897110.db2.gz HITUQNYGKJXOJD-UHFFFAOYSA-N 0 0 524.463 4.967 1 0 KJAFRN O=C(CCC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000028016314 561897480 /nfs/dbraw/zinc/89/74/80/561897480.db2.gz WDLWGUAARSAWBF-JSOSNVBQSA-N 0 0 562.666 4.848 1 0 KJAFRN O=C(CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000028016320 561897422 /nfs/dbraw/zinc/89/74/22/561897422.db2.gz WDLWGUAARSAWBF-CONSDPRKSA-N 0 0 562.666 4.848 1 0 KJAFRN O=C(CCC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000028016325 561897426 /nfs/dbraw/zinc/89/74/26/561897426.db2.gz WDLWGUAARSAWBF-FIRIVFDPSA-N 0 0 562.666 4.848 1 0 KJAFRN O=C(CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000028016330 561897419 /nfs/dbraw/zinc/89/74/19/561897419.db2.gz WDLWGUAARSAWBF-IOWSJCHKSA-N 0 0 562.666 4.848 1 0 KJAFRN CN1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021901 561898713 /nfs/dbraw/zinc/89/87/13/561898713.db2.gz HPSCLHCEPQQJNB-VXKWHMMOSA-N 0 0 560.686 4.841 1 0 KJAFRN CN1CCN(c2ccccc2Sc2ccc([C@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021907 561898721 /nfs/dbraw/zinc/89/87/21/561898721.db2.gz HPSCLHCEPQQJNB-YADHBBJMSA-N 0 0 560.686 4.841 1 0 KJAFRN CN1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021912 561898727 /nfs/dbraw/zinc/89/87/27/561898727.db2.gz HPSCLHCEPQQJNB-FCHUYYIVSA-N 0 0 560.686 4.841 1 0 KJAFRN CN1CCN(c2ccccc2Sc2ccc([C@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021917 561898710 /nfs/dbraw/zinc/89/87/10/561898710.db2.gz HPSCLHCEPQQJNB-FGZHOGPDSA-N 0 0 560.686 4.841 1 0 KJAFRN COc1cc(Cc2ccc(N)cc2N)cc(OC)c1OCCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000028089858 561899659 /nfs/dbraw/zinc/89/96/59/561899659.db2.gz OKRDKXALZGYBKT-UHFFFAOYSA-N 0 0 562.692 4.755 1 0 KJAFRN CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1OCCOCCOC)C(=O)NCc1nc2ccccc2[nH]1 ZINC000028090380 561899860 /nfs/dbraw/zinc/89/98/60/561899860.db2.gz BGQDLALVCNTMCA-ZWPPCJFBSA-N 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COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000028095927 561900779 /nfs/dbraw/zinc/90/07/79/561900779.db2.gz UWCWESVVRFXPEU-SSNHPIBPSA-N 0 0 674.839 4.620 1 0 KJAFRN CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCOCCOc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000028097397 561901095 /nfs/dbraw/zinc/90/10/95/561901095.db2.gz UMAKHJJEZDCGNK-ZWPPCJFBSA-N 0 0 721.940 4.645 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCOCCOc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000028097402 561901101 /nfs/dbraw/zinc/90/11/01/561901101.db2.gz UMAKHJJEZDCGNK-YHUVCOTHSA-N 0 0 721.940 4.645 1 0 KJAFRN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCNC2=S)cc1 ZINC000028098195 561901296 /nfs/dbraw/zinc/90/12/96/561901296.db2.gz TVYRWIQHXGCPIG-UHFFFAOYSA-N 0 0 500.411 4.583 1 0 KJAFRN N=C1N(C2CCCCC2)CCN1S(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000028100978 561901547 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COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(C)C ZINC000028106168 561902372 /nfs/dbraw/zinc/90/23/72/561902372.db2.gz GYCLMSRGHDFJJM-UBLLTGQXSA-N 0 0 739.955 4.564 1 0 KJAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2C(=O)Nc2ccc(Br)cn2)cc1 ZINC000028107182 561902415 /nfs/dbraw/zinc/90/24/15/561902415.db2.gz YJUMWPLYUDTTSF-UHFFFAOYSA-N 0 0 617.485 4.849 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccccc2)C[C@H]2[C@H](NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C34CC5CC(CC(C5)C3)C4)CCCN2C1=O ZINC000028107544 561902623 /nfs/dbraw/zinc/90/26/23/561902623.db2.gz KEWVEEBPTQHXKF-LIQTUHAMSA-N 0 0 650.820 4.693 1 0 KJAFRN O=C(NCCCN1CCCC1=O)[C@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000028107980 561902619 /nfs/dbraw/zinc/90/26/19/561902619.db2.gz WZWKDGGJAXYHLC-SFTDATJTSA-N 0 0 547.643 4.925 1 0 KJAFRN O=C(NCCCN1CCCC1=O)[C@H]1C[C@@H]1c1ccc(Sc2ccccc2N2CCOCC2)c(C(F)(F)F)c1 ZINC000028107988 561902645 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ZINC000028114049 561903545 /nfs/dbraw/zinc/90/35/45/561903545.db2.gz CJAGBXFYKKOMOU-ONEGZZNKSA-N 0 0 530.237 4.706 1 0 KJAFRN NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028115580 561903656 /nfs/dbraw/zinc/90/36/56/561903656.db2.gz GKCSOJWDPJQQEU-UHFFFAOYSA-N 0 0 506.971 4.554 1 0 KJAFRN O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(I)c1 ZINC000028117997 561904084 /nfs/dbraw/zinc/90/40/84/561904084.db2.gz IHFXDTQRUYQNOI-OWOJBTEDSA-N 0 0 530.237 4.706 1 0 KJAFRN O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)cc1 ZINC000028118004 561904138 /nfs/dbraw/zinc/90/41/38/561904138.db2.gz QMKMSUCBVBINOY-OWOJBTEDSA-N 0 0 530.237 4.706 1 0 KJAFRN CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CC(=O)N(Cc2ccc(Br)cc2)[C@@H](CC(C)C)C1=O ZINC000028122509 561904631 /nfs/dbraw/zinc/90/46/31/561904631.db2.gz YLJIYEKAWCYOEB-UIOOFZCWSA-N 0 0 550.497 4.545 1 0 KJAFRN CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(c2ccc3ncccc3c2)[C@@H](CC(C)C)C1=O ZINC000028125318 561904792 /nfs/dbraw/zinc/90/47/92/561904792.db2.gz VAATYVLSQSKJGH-VMPREFPWSA-N 0 0 522.649 4.725 1 0 KJAFRN CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@H](CC(C)C)C1=O ZINC000028128633 561905275 /nfs/dbraw/zinc/90/52/75/561905275.db2.gz COVPLULNDBDXTN-XZWHSSHBSA-N 0 0 536.676 4.721 1 0 KJAFRN CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(CCc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O ZINC000028129357 561905362 /nfs/dbraw/zinc/90/53/62/561905362.db2.gz PIDWOXMITGALID-CONSDPRKSA-N 0 0 550.703 4.763 1 0 KJAFRN CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CC(=O)N(Cc2ccc(-c3cccnc3)cc2)[C@@H](CC(C)C)C1=O ZINC000028131789 561905809 /nfs/dbraw/zinc/90/58/09/561905809.db2.gz YKLWYZYISGAXSM-CONSDPRKSA-N 0 0 548.687 4.845 1 0 KJAFRN O=C(Nc1ccc(Sc2ccc(F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028133375 561906184 /nfs/dbraw/zinc/90/61/84/561906184.db2.gz OLDAFLYMLSMZEP-HHHXNRCGSA-N 0 0 536.673 4.548 1 0 KJAFRN CNC(=O)[C@@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O ZINC000028133639 561906241 /nfs/dbraw/zinc/90/62/41/561906241.db2.gz COVPLULNDBDXTN-IHLOFXLRSA-N 0 0 536.676 4.721 1 0 KJAFRN O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028134021 561906285 /nfs/dbraw/zinc/90/62/85/561906285.db2.gz QZYNTEFNIPJEJW-NDEPHWFRSA-N 0 0 584.639 4.856 1 0 KJAFRN COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)Cc3ccccc3)cc2)cc1 ZINC000028134047 561906309 /nfs/dbraw/zinc/90/63/09/561906309.db2.gz GCVNOOJBZRSWBC-NRFANRHFSA-N 0 0 615.751 4.550 1 0 KJAFRN CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2ccc(Br)cc2)[C@@H](CC(C)C)C1=O ZINC000028134260 561906342 /nfs/dbraw/zinc/90/63/42/561906342.db2.gz BJSPEWAZMVSCPR-SVBPBHIXSA-N 0 0 564.524 4.935 1 0 KJAFRN O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028134588 561906351 /nfs/dbraw/zinc/90/63/51/561906351.db2.gz QZYNTEFNIPJEJW-MUUNZHRXSA-N 0 0 584.639 4.856 1 0 KJAFRN CNC(=O)[C@@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@H](CC(C)C)C1=O ZINC000028136320 561906628 /nfs/dbraw/zinc/90/66/28/561906628.db2.gz COVPLULNDBDXTN-LOYHVIPDSA-N 0 0 536.676 4.721 1 0 KJAFRN O=C(/C=C/c1ccc(Br)cc1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028137843 561906902 /nfs/dbraw/zinc/90/69/02/561906902.db2.gz SNFDXCZQFYRCCB-PPYMECGQSA-N 0 0 508.656 4.656 1 0 KJAFRN O=C(/C=C/c1ccc(Br)cc1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028137848 561906973 /nfs/dbraw/zinc/90/69/73/561906973.db2.gz SNFDXCZQFYRCCB-RZIFZGNASA-N 0 0 508.656 4.656 1 0 KJAFRN CCOC(=O)COc1cc(OCC)cc2oc(-c3ccc(OCC)c(OCC)c3)c(OCC)c(=O)c12 ZINC000028218739 561907033 /nfs/dbraw/zinc/90/70/33/561907033.db2.gz WPRSAEZJLZBHJL-UHFFFAOYSA-N 0 0 500.544 4.997 1 0 KJAFRN CCOC(=O)COc1c(=O)c2c(OCC)cc(OCC)cc2oc1-c1ccc(OCC)c(OCC)c1 ZINC000028219671 561907175 /nfs/dbraw/zinc/90/71/75/561907175.db2.gz MTBAWUDQQNVXAY-UHFFFAOYSA-N 0 0 500.544 4.997 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCC[NH3+])NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000028223553 561907555 /nfs/dbraw/zinc/90/75/55/561907555.db2.gz BGPZOYLRSPYCKJ-LREDJQJJSA-N 0 0 711.901 4.826 1 0 KJAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)SC1CCCC1)Cc1ccc(C)cc1 ZINC000028224665 561907784 /nfs/dbraw/zinc/90/77/84/561907784.db2.gz IJNDNRYJEVFBAJ-OJSCLXAYSA-N 0 0 635.827 4.979 1 0 KJAFRN CC(C)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)Cc1ccccc1 ZINC000028224864 561907796 /nfs/dbraw/zinc/90/77/96/561907796.db2.gz SMULLMIPSOYMDE-FEVNIDIWSA-N 0 0 524.677 4.527 1 0 KJAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(F)cc1 ZINC000028225474 561907866 /nfs/dbraw/zinc/90/78/66/561907866.db2.gz UVFDACQGIMRIDY-IFDUXCRCSA-N 0 0 605.773 4.613 1 0 KJAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(C)cc1 ZINC000028225481 561907966 /nfs/dbraw/zinc/90/79/66/561907966.db2.gz MJWWAAUGERVGAB-DPWVVCCPSA-N 0 0 601.810 4.783 1 0 KJAFRN CCCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000028225531 561907908 /nfs/dbraw/zinc/90/79/08/561907908.db2.gz RYIMNXSLBGAQGG-YNEHKIRRSA-N 0 0 655.079 4.743 1 0 KJAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)SC1CCCC1)Cc1ccc(F)cc1 ZINC000028225651 561908052 /nfs/dbraw/zinc/90/80/52/561908052.db2.gz YTLIVXPEYDPJOC-HASNPWSJSA-N 0 0 639.790 4.810 1 0 KJAFRN CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)Cc1ccccc1 ZINC000028225781 561908058 /nfs/dbraw/zinc/90/80/58/561908058.db2.gz BJMNUVVFPQVFTR-FEVNIDIWSA-N 0 0 542.667 4.666 1 0 KJAFRN Cc1cn([C@H]2C[C@H](OC(=O)C(C)C)[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O2)c(=O)[nH]c1=O ZINC000028227521 561908389 /nfs/dbraw/zinc/90/83/89/561908389.db2.gz KMVPPVLRNSYANC-YNEHKIRRSA-N 0 0 655.079 4.599 1 0 KJAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SCc1ccccc1)Cc1ccccc1 ZINC000028228445 561908621 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FZOWJYDPNGESBH-UHFFFAOYSA-N 0 0 563.083 4.751 1 0 KJAFRN Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(-c2nc3cc(C(=O)NCCN4CCSCC4)ccc3[nH]2)n(C)c1 ZINC000028250419 561911016 /nfs/dbraw/zinc/91/10/16/561911016.db2.gz KFTMGDLUPJYAOE-UHFFFAOYSA-N 0 0 651.218 4.905 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)/C=C/c3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000028263379 561912484 /nfs/dbraw/zinc/91/24/84/561912484.db2.gz GRGPKFMGBKALPZ-NZARWZLWSA-N 0 0 544.556 4.674 1 0 KJAFRN CCCCCCC(=O)O[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000028263711 561912464 /nfs/dbraw/zinc/91/24/64/561912464.db2.gz ISUSNKLLBCCMAP-DWJNZRAMSA-N 0 0 526.582 4.931 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)/C=C/c3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000028264663 561912475 /nfs/dbraw/zinc/91/24/75/561912475.db2.gz GRGPKFMGBKALPZ-VUBOJDGKSA-N 0 0 544.556 4.674 1 0 KJAFRN CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3cccc(Br)c3)c2C1=O ZINC000028265508 561912611 /nfs/dbraw/zinc/91/26/11/561912611.db2.gz AXHJRKJQJINJQV-RTWAWAEBSA-N 0 0 504.432 4.858 1 0 KJAFRN CC(C)CCNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000028265527 561912575 /nfs/dbraw/zinc/91/25/75/561912575.db2.gz HSSYKSRRUQUMKZ-KNVKFPPZSA-N 0 0 753.019 4.575 1 0 KJAFRN CC(C)CCNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000028265532 561912581 /nfs/dbraw/zinc/91/25/81/561912581.db2.gz HSSYKSRRUQUMKZ-AWSJBNSNSA-N 0 0 753.019 4.575 1 0 KJAFRN CCc1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000028330769 561912735 /nfs/dbraw/zinc/91/27/35/561912735.db2.gz TWQDEORCSVPDAX-GDLZYMKVSA-N 0 0 530.669 4.613 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCc4noc(-c5cccc(Cl)c5)n4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028332806 561912904 /nfs/dbraw/zinc/91/29/04/561912904.db2.gz NPHDEJSDZKQEKG-UHFFFAOYSA-N 0 0 520.977 4.656 1 0 KJAFRN COc1ccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)c3ccc(OC)cc3S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000028332855 561912926 /nfs/dbraw/zinc/91/29/26/561912926.db2.gz PWLNYVPGRBVZJL-FQEVSTJZSA-N 0 0 595.695 4.869 1 0 KJAFRN COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)C(C)(C)C)cc2)cc1 ZINC000028333400 561913120 /nfs/dbraw/zinc/91/31/20/561913120.db2.gz QJGPIDDPZBGDTJ-SFHVURJKSA-N 0 0 545.679 4.593 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCc4noc(-c5ccccc5Cl)n4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028333412 561913053 /nfs/dbraw/zinc/91/30/53/561913053.db2.gz AJJCTKMXFBGKIW-UHFFFAOYSA-N 0 0 520.977 4.656 1 0 KJAFRN CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc3ccccc3cn2)CC1 ZINC000028333510 561913123 /nfs/dbraw/zinc/91/31/23/561913123.db2.gz URGFKSVRPOAVJF-SSEXGKCCSA-N 0 0 646.213 4.754 1 0 KJAFRN O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028333629 561913048 /nfs/dbraw/zinc/91/30/48/561913048.db2.gz MNVMBZDUYLRNPC-MHZLTWQESA-N 0 0 586.611 4.949 1 0 KJAFRN O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028333636 561913128 /nfs/dbraw/zinc/91/31/28/561913128.db2.gz MNVMBZDUYLRNPC-HHHXNRCGSA-N 0 0 586.611 4.949 1 0 KJAFRN CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2ccc3ncccc3c2)CC1 ZINC000028333672 561913064 /nfs/dbraw/zinc/91/30/64/561913064.db2.gz HFOZDXLJMALAIW-SSEXGKCCSA-N 0 0 646.213 4.754 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCc4nc(-c5ccc(Cl)cc5)no4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028333795 561913066 /nfs/dbraw/zinc/91/30/66/561913066.db2.gz XBJKJDCZGZYYHZ-UHFFFAOYSA-N 0 0 520.977 4.656 1 0 KJAFRN CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cnc3ccccc3c2)CC1 ZINC000028334532 561913220 /nfs/dbraw/zinc/91/32/20/561913220.db2.gz BNQZPPDJTPVURC-SSEXGKCCSA-N 0 0 646.213 4.754 1 0 KJAFRN CCc1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000028338385 561913763 /nfs/dbraw/zinc/91/37/63/561913763.db2.gz TWQDEORCSVPDAX-LJAQVGFWSA-N 0 0 530.669 4.613 1 0 KJAFRN CC(C)(C)NC(=O)NCCCc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000028339308 561913841 /nfs/dbraw/zinc/91/38/41/561913841.db2.gz OYCSNPVAHUDHHP-UHFFFAOYSA-N 0 0 551.688 4.733 1 0 KJAFRN O=CN1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028339603 561913835 /nfs/dbraw/zinc/91/38/35/561913835.db2.gz HBXVNIDHYGUGIY-UHFFFAOYSA-N 0 0 501.530 4.968 1 0 KJAFRN COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000028340550 561914059 /nfs/dbraw/zinc/91/40/59/561914059.db2.gz VONCPMHORSQXFC-NRFANRHFSA-N 0 0 615.751 4.717 1 0 KJAFRN O=C(Nc1ccc(Sc2ccc(F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028341369 561914131 /nfs/dbraw/zinc/91/41/31/561914131.db2.gz OLDAFLYMLSMZEP-MHZLTWQESA-N 0 0 536.673 4.548 1 0 KJAFRN COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)Cc3ccccc3)cc2)cc1 ZINC000028342230 561914258 /nfs/dbraw/zinc/91/42/58/561914258.db2.gz WPEHFDALSJCGER-NRFANRHFSA-N 0 0 579.696 4.789 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCc4nc(-c5cccc(Cl)c5)no4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028342455 561914362 /nfs/dbraw/zinc/91/43/62/561914362.db2.gz UIFULPIWDUCSCB-UHFFFAOYSA-N 0 0 520.977 4.656 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCc4nc(-c5ccccc5Cl)no4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028342947 561914317 /nfs/dbraw/zinc/91/43/17/561914317.db2.gz XCOCGDNIRZYJDL-UHFFFAOYSA-N 0 0 520.977 4.656 1 0 KJAFRN CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028343413 561914480 /nfs/dbraw/zinc/91/44/80/561914480.db2.gz AUHFSEIMAYONHH-UHFFFAOYSA-N 0 0 574.423 4.622 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028343640 561914512 /nfs/dbraw/zinc/91/45/12/561914512.db2.gz ACBRNVRYVJLTKA-UHFFFAOYSA-N 0 0 520.977 4.656 1 0 KJAFRN CN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000028345874 561914847 /nfs/dbraw/zinc/91/48/47/561914847.db2.gz SVRYYFVIVJUSCV-DQEYMECFSA-N 0 0 573.637 4.711 1 0 KJAFRN CC(C)(C)NC(=O)CCCc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000028348744 561915279 /nfs/dbraw/zinc/91/52/79/561915279.db2.gz MGVPQHZGCWECKG-UHFFFAOYSA-N 0 0 536.673 4.940 1 0 KJAFRN O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000028349334 561915388 /nfs/dbraw/zinc/91/53/88/561915388.db2.gz LXLGYVVVXVRZPO-ULWDGLCLSA-N 0 0 616.758 4.987 1 0 KJAFRN O=C(C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000028349342 561915419 /nfs/dbraw/zinc/91/54/19/561915419.db2.gz LXLGYVVVXVRZPO-ZBJNLVINSA-N 0 0 616.758 4.987 1 0 KJAFRN CN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000028349623 561915416 /nfs/dbraw/zinc/91/54/16/561915416.db2.gz KHYNGGVKOMNOKG-DQEYMECFSA-N 0 0 589.636 4.591 1 0 KJAFRN CC(C)(C)NC(=O)NCCc1nc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2n1Cc1ccccc1 ZINC000028350030 561915399 /nfs/dbraw/zinc/91/53/99/561915399.db2.gz OGVRFODOCMAXSQ-UHFFFAOYSA-N 0 0 554.116 4.857 1 0 KJAFRN CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nc(C(=O)OCC)cs1 ZINC000028351058 561915547 /nfs/dbraw/zinc/91/55/47/561915547.db2.gz ONPACQFCYQXXFC-PMACEKPBSA-N 0 0 517.648 4.519 1 0 KJAFRN O=C(C[C@@H](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000028353444 561915972 /nfs/dbraw/zinc/91/59/72/561915972.db2.gz SGDUWWFGYYPHSS-YZKCQUDNSA-N 0 0 743.901 4.519 1 0 KJAFRN O=C(C[C@@H](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000028353451 561915938 /nfs/dbraw/zinc/91/59/38/561915938.db2.gz SGDUWWFGYYPHSS-RFASWIGPSA-N 0 0 743.901 4.519 1 0 KJAFRN CC(C)(C)OC(=O)NCCc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000028354392 561916025 /nfs/dbraw/zinc/91/60/25/561916025.db2.gz JHXPEEIJZNPINP-UHFFFAOYSA-N 0 0 538.645 4.769 1 0 KJAFRN NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CCCC(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028354408 561916057 /nfs/dbraw/zinc/91/60/57/561916057.db2.gz WLEAFJGOAMCDMQ-UHFFFAOYSA-N 0 0 553.731 4.894 1 0 KJAFRN O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000028354438 561916015 /nfs/dbraw/zinc/91/60/15/561916015.db2.gz QLCVZRCDRDWJCS-YZKCQUDNSA-N 0 0 743.901 4.519 1 0 KJAFRN O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000028354448 561916085 /nfs/dbraw/zinc/91/60/85/561916085.db2.gz QLCVZRCDRDWJCS-RFASWIGPSA-N 0 0 743.901 4.519 1 0 KJAFRN NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028355458 561916183 /nfs/dbraw/zinc/91/61/83/561916183.db2.gz DKKHBIQDKSRLEH-GOTSBHOMSA-N 0 0 565.742 4.750 1 0 KJAFRN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000028357446 561916292 /nfs/dbraw/zinc/91/62/92/561916292.db2.gz JOPONHSJMMHOPQ-LJAQVGFWSA-N 0 0 654.830 4.986 1 0 KJAFRN CC(C)(C)CC(=O)NCCc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000028357990 561916456 /nfs/dbraw/zinc/91/64/56/561916456.db2.gz JOVBZGLMNXAXTG-UHFFFAOYSA-N 0 0 536.673 4.797 1 0 KJAFRN CN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000028358386 561916468 /nfs/dbraw/zinc/91/64/68/561916468.db2.gz OCVYBLDJOQCUHF-DQEYMECFSA-N 0 0 589.636 4.591 1 0 KJAFRN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028358606 561916473 /nfs/dbraw/zinc/91/64/73/561916473.db2.gz PFTCBIBMHGBWSG-DKGMKSHISA-N 0 0 585.195 4.634 1 0 KJAFRN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028358614 561916478 /nfs/dbraw/zinc/91/64/78/561916478.db2.gz PFTCBIBMHGBWSG-KERYWQKISA-N 0 0 585.195 4.634 1 0 KJAFRN NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CCC(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028358803 561916482 /nfs/dbraw/zinc/91/64/82/561916482.db2.gz QRFVHZHVEXDKHB-UHFFFAOYSA-N 0 0 539.704 4.504 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(-c2cccs2)s1)[C@H](C)C(=O)NCc1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028359133 561916467 /nfs/dbraw/zinc/91/64/67/561916467.db2.gz GERHTVDUMMAGEB-RBUKOAKNSA-N 0 0 567.758 4.996 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(-c2cccs2)s1)[C@@H](C)C(=O)NCc1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028359141 561916448 /nfs/dbraw/zinc/91/64/48/561916448.db2.gz GERHTVDUMMAGEB-RTBURBONSA-N 0 0 567.758 4.996 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(-c2cccs2)s1)[C@H](C)C(=O)NCc1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028359149 561916447 /nfs/dbraw/zinc/91/64/47/561916447.db2.gz GERHTVDUMMAGEB-OALUTQOASA-N 0 0 567.758 4.996 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)[C@H](C)C(=O)NCc1ccc(-c2cccs2)s1 ZINC000028359157 561916472 /nfs/dbraw/zinc/91/64/72/561916472.db2.gz GERHTVDUMMAGEB-MOPGFXCFSA-N 0 0 567.758 4.996 1 0 KJAFRN O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(S(=O)(=O)c2cccc(Br)c2)N1Cc1ccc(O)cc1 ZINC000028359476 561916586 /nfs/dbraw/zinc/91/65/86/561916586.db2.gz BIABWRJXWCEQFZ-LOYHVIPDSA-N 0 0 652.567 4.876 1 0 KJAFRN O=C(c1ccccc1)N1C[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N1Cc1ccc(O)cc1 ZINC000028360337 561916730 /nfs/dbraw/zinc/91/67/30/561916730.db2.gz VRSJYTMZDYBQTL-LOYHVIPDSA-N 0 0 537.616 4.565 1 0 KJAFRN O=C(C[C@@H](Cc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000028361245 561916857 /nfs/dbraw/zinc/91/68/57/561916857.db2.gz VBFJOQIVZSQDMP-PCOCOJJMSA-N 0 0 660.811 4.653 1 0 KJAFRN O=C(C[C@@H](Cc1ccc(OCCO)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000028361252 561916897 /nfs/dbraw/zinc/91/68/97/561916897.db2.gz VBFJOQIVZSQDMP-SUTRTPMOSA-N 0 0 660.811 4.653 1 0 KJAFRN O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCCO)cc1 ZINC000028361261 561916911 /nfs/dbraw/zinc/91/69/11/561916911.db2.gz BJFLMEBKJGGSFY-PCOCOJJMSA-N 0 0 660.811 4.653 1 0 KJAFRN O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCCO)cc1 ZINC000028361270 561916901 /nfs/dbraw/zinc/91/69/01/561916901.db2.gz BJFLMEBKJGGSFY-SUTRTPMOSA-N 0 0 660.811 4.653 1 0 KJAFRN O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCCN2CCOCC2)cc1 ZINC000028362976 561917069 /nfs/dbraw/zinc/91/70/69/561917069.db2.gz CNCBHBFUOUPSAK-PJYYTDRCSA-N 0 0 729.918 4.993 1 0 KJAFRN O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(OCCN2CCOCC2)cc1 ZINC000028362984 561917063 /nfs/dbraw/zinc/91/70/63/561917063.db2.gz CNCBHBFUOUPSAK-WIUBGQASSA-N 0 0 729.918 4.993 1 0 KJAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(C)/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028364613 561917316 /nfs/dbraw/zinc/91/73/16/561917316.db2.gz QDZUHUOQKXBJJV-DUYOMTSISA-N 0 0 513.723 4.543 1 0 KJAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)c1ccc(OC)cc1)C(C)(C)c1ccccc1 ZINC000028365298 561917480 /nfs/dbraw/zinc/91/74/80/561917480.db2.gz DEHTXISWSKPEEP-VCXUBWRJSA-N 0 0 565.755 4.537 1 0 KJAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C[C@@H]4C[C@@H](O)CC(=O)O4)cc3)C[C@@]21C ZINC000028366209 561917684 /nfs/dbraw/zinc/91/76/84/561917684.db2.gz AEMCKZFBFDARJV-WRFREBFJSA-N 0 0 543.704 4.843 1 0 KJAFRN O=S(=O)(CC(F)(F)F)N(Cc1cncnc1)c1cccc(Oc2ccccc2Br)c1 ZINC000028368176 561917899 /nfs/dbraw/zinc/91/78/99/561917899.db2.gz YYRANHNDGJOGSB-UHFFFAOYSA-N 0 0 502.312 4.930 1 0 KJAFRN O=C(CN(CCCNc1ccnc2cc(Cl)ccc21)C(=O)c1ccc(O)cc1O)NC1CCCCC1 ZINC000028368379 561917906 /nfs/dbraw/zinc/91/79/06/561917906.db2.gz POLJHMWIAMOHOG-UHFFFAOYSA-N 0 0 511.022 4.693 1 0 KJAFRN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1OC ZINC000028368446 561917903 /nfs/dbraw/zinc/91/79/03/561917903.db2.gz RDXCKRVQYQGLCC-LJAQVGFWSA-N 0 0 684.856 4.995 1 0 KJAFRN O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(O)cc1 ZINC000028368733 561917959 /nfs/dbraw/zinc/91/79/59/561917959.db2.gz ONSAMKNBJVPOLI-ULWDGLCLSA-N 0 0 616.758 4.987 1 0 KJAFRN O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccc(O)cc1 ZINC000028368743 561917977 /nfs/dbraw/zinc/91/79/77/561917977.db2.gz ONSAMKNBJVPOLI-ZBJNLVINSA-N 0 0 616.758 4.987 1 0 KJAFRN O=C(C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000028368746 561917947 /nfs/dbraw/zinc/91/79/47/561917947.db2.gz WKYGVFAXRQYBKL-PJYYTDRCSA-N 0 0 729.918 4.993 1 0 KJAFRN O=C(C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)CN1C(=O)[C@@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000028368749 561917893 /nfs/dbraw/zinc/91/78/93/561917893.db2.gz WKYGVFAXRQYBKL-WIUBGQASSA-N 0 0 729.918 4.993 1 0 KJAFRN O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(S(=O)(=O)c2ccc(Cl)cc2)N1Cc1ccc(O)cc1 ZINC000028370139 561918139 /nfs/dbraw/zinc/91/81/39/561918139.db2.gz AOEVPBCMFKFOLG-LOYHVIPDSA-N 0 0 608.116 4.767 1 0 KJAFRN CCC(=O)Oc1ccc2nc([C@@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)n(N3CCN(C)CC3)c(=O)c2c1 ZINC000028372634 561918635 /nfs/dbraw/zinc/91/86/35/561918635.db2.gz UWHOWIUCLZCQNZ-OAQYLSRUSA-N 0 0 632.693 4.551 1 0 KJAFRN CCC(=O)Oc1ccc2nc([C@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)n(N3CCN(C)CC3)c(=O)c2c1 ZINC000028372641 561918640 /nfs/dbraw/zinc/91/86/40/561918640.db2.gz UWHOWIUCLZCQNZ-NRFANRHFSA-N 0 0 632.693 4.551 1 0 KJAFRN CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000028372787 561918684 /nfs/dbraw/zinc/91/86/84/561918684.db2.gz NTVCHFGEZYDZJU-ZDEDIGJLSA-N 0 0 540.609 4.800 1 0 KJAFRN Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)CC(C)C)C(C)(C)O3 ZINC000028374746 561918953 /nfs/dbraw/zinc/91/89/53/561918953.db2.gz AUEKDIAVZOKCET-IECCPQQKSA-N 0 0 540.609 4.937 1 0 KJAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4coc(-c5ccc(C(F)(F)F)cc5)n4)CC3)ccc2s1 ZINC000028374839 561918966 /nfs/dbraw/zinc/91/89/66/561918966.db2.gz LKWWXRBXCVROKU-OAQYLSRUSA-N 0 0 532.588 4.836 1 0 KJAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(Cl)cc5Cl)n4)C[C@@H]3C)ccc2s1 ZINC000028374846 561919110 /nfs/dbraw/zinc/91/91/10/561919110.db2.gz PLGJMSIIMZDAQM-MAUKXSAKSA-N 0 0 548.496 4.908 1 0 KJAFRN Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@H]2CCC(=O)N2)cc(C)c1C ZINC000028374915 561919048 /nfs/dbraw/zinc/91/90/48/561919048.db2.gz XPSOGWHSLSTLJK-QGZVFWFLSA-N 0 0 552.056 4.925 1 0 KJAFRN CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000028376079 561919232 /nfs/dbraw/zinc/91/92/32/561919232.db2.gz QZLIVNUOJTXRRT-PLSLCPROSA-N 0 0 570.635 4.775 1 0 KJAFRN Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O3 ZINC000028376358 561919239 /nfs/dbraw/zinc/91/92/39/561919239.db2.gz ZRQAULHFZIFPNV-GUALXGMXSA-N 0 0 526.582 4.546 1 0 KJAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(I)s1 ZINC000028376380 561919228 /nfs/dbraw/zinc/91/92/28/561919228.db2.gz CPTTYKNXUVQTGN-UHFFFAOYSA-N 0 0 538.282 4.992 1 0 KJAFRN COc1ccc(N(C(=O)Nc2nc3ccccc3s2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028376683 561919222 /nfs/dbraw/zinc/91/92/22/561919222.db2.gz LCNRQXKJHQXTLI-FQEVSTJZSA-N 0 0 599.717 4.707 1 0 KJAFRN COc1ccc(N(C(=O)Nc2nc3ccccc3s2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028376689 561919379 /nfs/dbraw/zinc/91/93/79/561919379.db2.gz LCNRQXKJHQXTLI-HXUWFJFHSA-N 0 0 599.717 4.707 1 0 KJAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nnc(-c5ccc(C(C)(C)C)cc5)o4)CC3)ccc2s1 ZINC000028377285 561919508 /nfs/dbraw/zinc/91/95/08/561919508.db2.gz PCWGBLKAGJPHPN-JOCHJYFZSA-N 0 0 521.687 4.510 1 0 KJAFRN COc1ccc(N(C(=O)Nc2cccc(Cl)c2)C(C)(C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028377328 561919498 /nfs/dbraw/zinc/91/94/98/561919498.db2.gz VAJGWXNIYFCMEI-UHFFFAOYSA-N 0 0 591.112 4.924 1 0 KJAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1 ZINC000028379742 561919935 /nfs/dbraw/zinc/91/99/35/561919935.db2.gz QRNGGMUUZNPISI-UEVKLLACSA-N 0 0 680.710 4.740 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(C(=O)NCCc5ccc(O)cc5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028381070 561920164 /nfs/dbraw/zinc/92/01/64/561920164.db2.gz DDUJZLNUVVJDRJ-NEVPTIFISA-N 0 0 638.673 4.904 1 0 KJAFRN COc1ccc(N(C(=O)Nc2cccc(Cl)c2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028381412 561920149 /nfs/dbraw/zinc/92/01/49/561920149.db2.gz WLCREZBINCDXFW-HXUWFJFHSA-N 0 0 577.085 4.750 1 0 KJAFRN COC(=O)c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](C3CCCCC3)CN2C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)c(F)c1 ZINC000028381907 561920263 /nfs/dbraw/zinc/92/02/63/561920263.db2.gz AJQGMKRDUXPZFQ-PBNCGBIJSA-N 0 0 714.798 4.754 1 0 KJAFRN Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000028384483 561920820 /nfs/dbraw/zinc/92/08/20/561920820.db2.gz KYUIBCCUKPQZSS-UHFFFAOYSA-N 0 0 523.593 4.705 1 0 KJAFRN C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@H](N[C@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@@H]12 ZINC000028386661 561921254 /nfs/dbraw/zinc/92/12/54/561921254.db2.gz IWKSSCWPMMVFBG-CBTSXZFNSA-N 0 0 530.669 4.642 1 0 KJAFRN C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@H](N[C@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@H]12 ZINC000028386666 561921242 /nfs/dbraw/zinc/92/12/42/561921242.db2.gz IWKSSCWPMMVFBG-YJECHUCRSA-N 0 0 530.669 4.642 1 0 KJAFRN Cc1cc(-c2c(=O)[nH]c3cc(Cl)c(C(=O)Nc4cnsn4)cc3c2OCC[C@H]2CC(=O)N2)cc(C)c1C ZINC000028386721 561921231 /nfs/dbraw/zinc/92/12/31/561921231.db2.gz FJWHUGCBAPHOSB-INIZCTEOSA-N 0 0 538.029 4.535 1 0 KJAFRN COc1ccc(CN2C[C@@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)cc1 ZINC000028387311 561921450 /nfs/dbraw/zinc/92/14/50/561921450.db2.gz VRSCWHRYULSOAD-GAEBJGTQSA-N 0 0 633.789 4.929 1 0 KJAFRN COc1ccc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)cc1 ZINC000028387317 561921438 /nfs/dbraw/zinc/92/14/38/561921438.db2.gz VRSCWHRYULSOAD-PHPRYWTDSA-N 0 0 633.789 4.929 1 0 KJAFRN COc1ccc(CN2C[C@@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)cc1 ZINC000028387325 561921348 /nfs/dbraw/zinc/92/13/48/561921348.db2.gz VRSCWHRYULSOAD-NTGQVKCDSA-N 0 0 633.789 4.929 1 0 KJAFRN COc1ccc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)cc1 ZINC000028387333 561921420 /nfs/dbraw/zinc/92/14/20/561921420.db2.gz VRSCWHRYULSOAD-MQMCASKGSA-N 0 0 633.789 4.929 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cc(F)c(F)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387724 561921566 /nfs/dbraw/zinc/92/15/66/561921566.db2.gz RQZAAIVQVAUFKY-SFHVURJKSA-N 0 0 596.610 4.514 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cc(F)c(F)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387729 561921557 /nfs/dbraw/zinc/92/15/57/561921557.db2.gz RQZAAIVQVAUFKY-GOSISDBHSA-N 0 0 596.610 4.514 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(Cl)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387733 561921543 /nfs/dbraw/zinc/92/15/43/561921543.db2.gz QYLKONCWPBQIGV-IBGZPJMESA-N 0 0 595.075 4.889 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(Cl)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387739 561921553 /nfs/dbraw/zinc/92/15/53/561921553.db2.gz QYLKONCWPBQIGV-LJQANCHMSA-N 0 0 595.075 4.889 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cc(Cl)ccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387745 561921506 /nfs/dbraw/zinc/92/15/06/561921506.db2.gz OQWUMKSJHPGZPD-IBGZPJMESA-N 0 0 595.075 4.889 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cc(Cl)ccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387751 561921489 /nfs/dbraw/zinc/92/14/89/561921489.db2.gz OQWUMKSJHPGZPD-LJQANCHMSA-N 0 0 595.075 4.889 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(C)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387764 561921521 /nfs/dbraw/zinc/92/15/21/561921521.db2.gz HVTLXIYPFXEVMR-NRFANRHFSA-N 0 0 574.657 4.544 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(C)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387770 561921528 /nfs/dbraw/zinc/92/15/28/561921528.db2.gz HVTLXIYPFXEVMR-OAQYLSRUSA-N 0 0 574.657 4.544 1 0 KJAFRN COc1ccc(N(C(=O)Oc2ccc(Cl)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388034 561921536 /nfs/dbraw/zinc/92/15/36/561921536.db2.gz DMYUSICWAUIYJQ-FQEVSTJZSA-N 0 0 578.069 4.717 1 0 KJAFRN COc1ccc(N(C(=O)Oc2ccc(Cl)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388041 561921510 /nfs/dbraw/zinc/92/15/10/561921510.db2.gz DMYUSICWAUIYJQ-HXUWFJFHSA-N 0 0 578.069 4.717 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccccc2Cl)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388145 561921498 /nfs/dbraw/zinc/92/14/98/561921498.db2.gz SEEXSPWRACQLSB-FQEVSTJZSA-N 0 0 577.085 4.750 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccccc2Cl)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388150 561921561 /nfs/dbraw/zinc/92/15/61/561921561.db2.gz SEEXSPWRACQLSB-HXUWFJFHSA-N 0 0 577.085 4.750 1 0 KJAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@H](Cc2cccc(O)c2)C[C@@H]1Cc1ccccc1 ZINC000028388254 561921647 /nfs/dbraw/zinc/92/16/47/561921647.db2.gz WBFLPKSBVPRYKP-CJLSUYSKSA-N 0 0 618.774 4.779 1 0 KJAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@H](Cc2cccc(O)c2)C[C@@H]1Cc1ccccc1 ZINC000028388261 561921665 /nfs/dbraw/zinc/92/16/65/561921665.db2.gz WBFLPKSBVPRYKP-BRSXYDKKSA-N 0 0 618.774 4.779 1 0 KJAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2cccc(O)c2)C[C@@H]1Cc1ccccc1 ZINC000028388269 561921682 /nfs/dbraw/zinc/92/16/82/561921682.db2.gz WBFLPKSBVPRYKP-BPZQGUOHSA-N 0 0 618.774 4.779 1 0 KJAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@@H](Cc2cccc(O)c2)C[C@@H]1Cc1ccccc1 ZINC000028388275 561921684 /nfs/dbraw/zinc/92/16/84/561921684.db2.gz WBFLPKSBVPRYKP-JXSYQWDNSA-N 0 0 618.774 4.779 1 0 KJAFRN COC(=O)c1cccc(C[C@@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028388282 561921690 /nfs/dbraw/zinc/92/16/90/561921690.db2.gz GRNIIDHVCJYQIT-BIGJWQJSSA-N 0 0 660.811 4.860 1 0 KJAFRN COC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028388289 561921648 /nfs/dbraw/zinc/92/16/48/561921648.db2.gz GRNIIDHVCJYQIT-UFCOSCRDSA-N 0 0 660.811 4.860 1 0 KJAFRN COC(=O)c1cccc(C[C@@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028388296 561921658 /nfs/dbraw/zinc/92/16/58/561921658.db2.gz GRNIIDHVCJYQIT-MUSVJCFXSA-N 0 0 660.811 4.860 1 0 KJAFRN COC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028388301 561921681 /nfs/dbraw/zinc/92/16/81/561921681.db2.gz GRNIIDHVCJYQIT-ZIHKHTODSA-N 0 0 660.811 4.860 1 0 KJAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(C(C)(C)C)cc5)n4)CC3)ccc2s1 ZINC000028388416 561921693 /nfs/dbraw/zinc/92/16/93/561921693.db2.gz OHWGXPPFFAZOQL-JOCHJYFZSA-N 0 0 521.687 4.510 1 0 KJAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(-c5ccc(Cl)cc5Cl)no4)CC3)ccc2s1 ZINC000028388491 561921654 /nfs/dbraw/zinc/92/16/54/561921654.db2.gz OSSJCLRFMVPXOU-QGZVFWFLSA-N 0 0 534.469 4.519 1 0 KJAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000028388980 561921814 /nfs/dbraw/zinc/92/18/14/561921814.db2.gz DVIKQNFIOVYHIX-CCYNQJRBSA-N 0 0 603.763 4.920 1 0 KJAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000028388990 561921761 /nfs/dbraw/zinc/92/17/61/561921761.db2.gz DVIKQNFIOVYHIX-FDQDILRNSA-N 0 0 603.763 4.920 1 0 KJAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000028388997 561921796 /nfs/dbraw/zinc/92/17/96/561921796.db2.gz DVIKQNFIOVYHIX-JIJIFEPVSA-N 0 0 603.763 4.920 1 0 KJAFRN CN1CCN(CCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028389235 561921905 /nfs/dbraw/zinc/92/19/05/561921905.db2.gz MMCCUBIFCATHKP-UHFFFAOYSA-N 0 0 540.007 4.872 1 0 KJAFRN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)CN1CCN(c2ncccn2)CC1 ZINC000028389343 561921972 /nfs/dbraw/zinc/92/19/72/561921972.db2.gz JJIXIBXVNRLVOZ-IBGZPJMESA-N 0 0 606.070 4.941 1 0 KJAFRN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)CN1CCN(c2ncccn2)CC1 ZINC000028389348 561921880 /nfs/dbraw/zinc/92/18/80/561921880.db2.gz JJIXIBXVNRLVOZ-LJQANCHMSA-N 0 0 606.070 4.941 1 0 KJAFRN COc1cc(NC(=O)Nc2cccc(Oc3ccccc3)c2)ccc1C(=O)NCCCN1CCOCC1 ZINC000028389900 561922123 /nfs/dbraw/zinc/92/21/23/561922123.db2.gz KCKIWWYHRZPHRB-UHFFFAOYSA-N 0 0 504.587 4.584 1 0 KJAFRN C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@@H]12 ZINC000028390195 561922125 /nfs/dbraw/zinc/92/21/25/561922125.db2.gz QDQIUSLGZRFQED-MDPVMDPHSA-N 0 0 559.711 4.712 1 0 KJAFRN C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@H]12 ZINC000028390202 561922113 /nfs/dbraw/zinc/92/21/13/561922113.db2.gz QDQIUSLGZRFQED-YGLGWZAOSA-N 0 0 559.711 4.712 1 0 KJAFRN COc1ccc(N(C(=O)Nc2cccc(Cl)c2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028390729 561922279 /nfs/dbraw/zinc/92/22/79/561922279.db2.gz WLCREZBINCDXFW-FQEVSTJZSA-N 0 0 577.085 4.750 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028390949 561922275 /nfs/dbraw/zinc/92/22/75/561922275.db2.gz LCHRNDDRALKVRW-FQEVSTJZSA-N 0 0 577.085 4.750 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028390956 561922201 /nfs/dbraw/zinc/92/22/01/561922201.db2.gz LCHRNDDRALKVRW-HXUWFJFHSA-N 0 0 577.085 4.750 1 0 KJAFRN Cc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(C)c1 ZINC000028391613 561922360 /nfs/dbraw/zinc/92/23/60/561922360.db2.gz NFAWGLLCKXJGOU-JOCHJYFZSA-N 0 0 528.632 4.836 1 0 KJAFRN Cc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(C)c1 ZINC000028391620 561922324 /nfs/dbraw/zinc/92/23/24/561922324.db2.gz NFAWGLLCKXJGOU-QFIPXVFZSA-N 0 0 528.632 4.836 1 0 KJAFRN Nc1cccc(C[C@@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028391932 561922332 /nfs/dbraw/zinc/92/23/32/561922332.db2.gz LZLWFAYWMDMYNN-NKWGNMMSSA-N 0 0 617.790 4.656 1 0 KJAFRN Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028391939 561922310 /nfs/dbraw/zinc/92/23/10/561922310.db2.gz LZLWFAYWMDMYNN-UEJWSEHCSA-N 0 0 617.790 4.656 1 0 KJAFRN Nc1cccc(C[C@@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028391949 561922480 /nfs/dbraw/zinc/92/24/80/561922480.db2.gz LZLWFAYWMDMYNN-OKBXLUEQSA-N 0 0 617.790 4.656 1 0 KJAFRN Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028391969 561922569 /nfs/dbraw/zinc/92/25/69/561922569.db2.gz LZLWFAYWMDMYNN-ADMYAQOWSA-N 0 0 617.790 4.656 1 0 KJAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(Cl)cc5Cl)n4)CC3)ccc2s1 ZINC000028392783 561922652 /nfs/dbraw/zinc/92/26/52/561922652.db2.gz FNBDBCKSGVMDQY-QGZVFWFLSA-N 0 0 534.469 4.519 1 0 KJAFRN [NH3+]Cc1ccc(F)c(C2CCN(C(=O)c3cc(C(=O)[O-])cc(-c4nc(-c5cccs5)no4)c3)CC2)c1 ZINC000028394025 561922769 /nfs/dbraw/zinc/92/27/69/561922769.db2.gz DXIKBSYTPKPXJG-UHFFFAOYSA-N 0 0 506.559 4.781 1 0 KJAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(Cl)c(Cl)c5)n4)CC3)ccc2s1 ZINC000028394629 561922971 /nfs/dbraw/zinc/92/29/71/561922971.db2.gz CMUBWDRNMGZFBX-QGZVFWFLSA-N 0 0 534.469 4.519 1 0 KJAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)C[C@@H]3C)ccc2s1 ZINC000028394866 561922930 /nfs/dbraw/zinc/92/29/30/561922930.db2.gz AICXVAPPRIPRMH-OXJNMPFZSA-N 0 0 547.603 4.620 1 0 KJAFRN C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(=O)CC3)n21 ZINC000028395152 561922891 /nfs/dbraw/zinc/92/28/91/561922891.db2.gz CYUHNCVDNNTABN-XMMPIXPASA-N 0 0 612.333 4.942 1 0 KJAFRN CCCC[C@H](NC(=O)OCC1(COc2ncnc3ccsc32)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028395742 561923059 /nfs/dbraw/zinc/92/30/59/561923059.db2.gz SFKFJUVMGRZHCB-CTNGQTDRSA-N 0 0 538.670 4.972 1 0 KJAFRN C[C@@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@@H]12 ZINC000028396851 561923184 /nfs/dbraw/zinc/92/31/84/561923184.db2.gz QDQIUSLGZRFQED-QGQKXLEHSA-N 0 0 559.711 4.712 1 0 KJAFRN C[C@@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@H]12 ZINC000028396861 561923162 /nfs/dbraw/zinc/92/31/62/561923162.db2.gz QDQIUSLGZRFQED-PFCIVCCVSA-N 0 0 559.711 4.712 1 0 KJAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000028397138 561923249 /nfs/dbraw/zinc/92/32/49/561923249.db2.gz HMKGRLPMFXNGLP-ZYRIPLEJSA-N 0 0 541.655 4.616 1 0 KJAFRN COc1cc2nc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000028397277 561923259 /nfs/dbraw/zinc/92/32/59/561923259.db2.gz DPKKQWUCQYEZKT-UHFFFAOYSA-N 0 0 561.708 4.705 1 0 KJAFRN C[NH2+][C@H](C(=O)N[C@@H](CC(C)(C)c1ccc(OC)cc1)C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)c1ccccc1 ZINC000028455681 561923558 /nfs/dbraw/zinc/92/35/58/561923558.db2.gz ZMKHEXSNQAYMQN-DHEYRDCKSA-N 0 0 579.782 4.927 1 0 KJAFRN CCOC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)N1C(=O)C(CC)(CC)[C@@H]1Sc1nc2ccccc2o1 ZINC000028456902 561923999 /nfs/dbraw/zinc/92/39/99/561923999.db2.gz QCOGTTJNBHFZDK-YKSBVNFPSA-N 0 0 512.584 4.649 1 0 KJAFRN CCOC(=O)[C@H](OC(=O)c1ccc(OC)cc1)N1C(=O)C(CC)(CC)[C@@H]1Sc1nc2ccccc2o1 ZINC000028456904 561923932 /nfs/dbraw/zinc/92/39/32/561923932.db2.gz QCOGTTJNBHFZDK-RDPSFJRHSA-N 0 0 512.584 4.649 1 0 KJAFRN CCOC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)N1C(=O)C(CC)(CC)[C@H]1Sc1nc2ccccc2o1 ZINC000028456906 561923991 /nfs/dbraw/zinc/92/39/91/561923991.db2.gz QCOGTTJNBHFZDK-HYBUGGRVSA-N 0 0 512.584 4.649 1 0 KJAFRN CCOC(=O)[C@H](OC(=O)c1ccc(OC)cc1)N1C(=O)C(CC)(CC)[C@H]1Sc1nc2ccccc2o1 ZINC000028456908 561923978 /nfs/dbraw/zinc/92/39/78/561923978.db2.gz QCOGTTJNBHFZDK-GBXCKJPGSA-N 0 0 512.584 4.649 1 0 KJAFRN CCCOc1cc2nc(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N)c2cc1OCCC ZINC000028457418 561924213 /nfs/dbraw/zinc/92/42/13/561924213.db2.gz KXPUEITXEVAXKS-UHFFFAOYSA-N 0 0 561.708 4.968 1 0 KJAFRN CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)[NH2+]C[C@H](O)c3cccc([N-]S(=O)(=O)c4cccs4)c3)c[nH]c21 ZINC000028457497 561924200 /nfs/dbraw/zinc/92/42/00/561924200.db2.gz QFALEVXDVYDQBL-DVECYGJZSA-N 0 0 591.777 4.793 1 0 KJAFRN CS(=O)(=O)c1cccc2c(CC[NH2+]C[C@H](O)c3cccc([N-]S(=O)(=O)c4cc(Cl)c(Cl)s4)c3)c[nH]c21 ZINC000028457900 561924268 /nfs/dbraw/zinc/92/42/68/561924268.db2.gz ZZVUBOHOOODAOA-IBGZPJMESA-N 0 0 588.560 4.606 1 0 KJAFRN CCCCc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)cc2)cc1 ZINC000028458138 561924419 /nfs/dbraw/zinc/92/44/19/561924419.db2.gz ZISSFAUUTAZRSM-UHFFFAOYSA-N 0 0 561.708 4.750 1 0 KJAFRN CC(C)Oc1cc2nc(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N)c2cc1OC(C)C ZINC000028458353 561924436 /nfs/dbraw/zinc/92/44/36/561924436.db2.gz KIXNWUNXVDGONS-UHFFFAOYSA-N 0 0 561.708 4.964 1 0 KJAFRN CC(=O)NCCCS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000028459455 561924772 /nfs/dbraw/zinc/92/47/72/561924772.db2.gz FMBLPFSVDXVCAX-XMMPIXPASA-N 0 0 614.349 4.889 1 0 KJAFRN C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCOCC3)n21 ZINC000028459809 561924785 /nfs/dbraw/zinc/92/47/85/561924785.db2.gz MYIHWAVPLWUTSA-HSZRJFAPSA-N 0 0 600.322 4.610 1 0 KJAFRN C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(S(C)(=O)=O)cn21 ZINC000028460654 561925077 /nfs/dbraw/zinc/92/50/77/561925077.db2.gz QZDQYAWTHQIABF-HXUWFJFHSA-N 0 0 529.243 4.992 1 0 KJAFRN C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(S(C)(=O)=O)cn21 ZINC000028460657 561925076 /nfs/dbraw/zinc/92/50/76/561925076.db2.gz QZDQYAWTHQIABF-FQEVSTJZSA-N 0 0 529.243 4.992 1 0 KJAFRN CCCC[C@H](NC(=O)O[C@H](Cc1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)(C)C)C(=O)C(=O)Nc1cc[nH]n1 ZINC000028460680 561925078 /nfs/dbraw/zinc/92/50/78/561925078.db2.gz LBKFBCRXNHVDOJ-ZWKOTPCHSA-N 0 0 564.565 4.929 1 0 KJAFRN CCCOC(=O)N1C[C@H](O)[C@@H](OC(=O)NCc2ccccc2-c2ccccc2)[C@H]1Cc1ccc(OC)cc1 ZINC000028461117 561925152 /nfs/dbraw/zinc/92/51/52/561925152.db2.gz VQOGWUBJQUNZMC-PKTNWEFCSA-N 0 0 518.610 4.791 1 0 KJAFRN COc1ccc(C[C@@H]2[C@H](OC(=O)N3CCN(C)CC3)[C@@H](O)CN2C(=O)c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)cc1 ZINC000028461292 561925282 /nfs/dbraw/zinc/92/52/82/561925282.db2.gz IMROUCNHAFGXPE-USZFVNFHSA-N 0 0 622.040 4.808 1 0 KJAFRN C[C@@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@@H]12 ZINC000028461801 561925335 /nfs/dbraw/zinc/92/53/35/561925335.db2.gz QDQIUSLGZRFQED-PCULNXKLSA-N 0 0 559.711 4.712 1 0 KJAFRN C[C@@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@H]12 ZINC000028461804 561925394 /nfs/dbraw/zinc/92/53/94/561925394.db2.gz QDQIUSLGZRFQED-XERNUKRASA-N 0 0 559.711 4.712 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(C(=O)NCC(=O)OCc5ccccc5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028462019 561925405 /nfs/dbraw/zinc/92/54/05/561925405.db2.gz IORXTXOTJSDYSZ-KIORWJHZSA-N 0 0 666.683 4.699 1 0 KJAFRN C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@@H]12 ZINC000028462249 561925506 /nfs/dbraw/zinc/92/55/06/561925506.db2.gz IWKSSCWPMMVFBG-GIIILEAUSA-N 0 0 530.669 4.642 1 0 KJAFRN C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@H]12 ZINC000028462251 561925547 /nfs/dbraw/zinc/92/55/47/561925547.db2.gz IWKSSCWPMMVFBG-YQMHAVPBSA-N 0 0 530.669 4.642 1 0 KJAFRN C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)CCCO)n21 ZINC000028462380 561925539 /nfs/dbraw/zinc/92/55/39/561925539.db2.gz UQFJJELMTYQZLF-JOCHJYFZSA-N 0 0 573.296 4.745 1 0 KJAFRN CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000028462593 561925505 /nfs/dbraw/zinc/92/55/05/561925505.db2.gz APNSQIQECQEJJX-DJYRPUISSA-N 0 0 545.721 4.509 1 0 KJAFRN C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC[C@@H](O)C3)n21 ZINC000028463160 561925791 /nfs/dbraw/zinc/92/57/91/561925791.db2.gz CEPHCBHONKERLG-HYBUGGRVSA-N 0 0 614.349 4.734 1 0 KJAFRN C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC[C@H](O)C3)n21 ZINC000028463164 561925751 /nfs/dbraw/zinc/92/57/51/561925751.db2.gz CEPHCBHONKERLG-GBXCKJPGSA-N 0 0 614.349 4.734 1 0 KJAFRN C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@@H]12 ZINC000028463524 561925763 /nfs/dbraw/zinc/92/57/63/561925763.db2.gz IWKSSCWPMMVFBG-NNPJNUEMSA-N 0 0 530.669 4.642 1 0 KJAFRN C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@H]12 ZINC000028463529 561925765 /nfs/dbraw/zinc/92/57/65/561925765.db2.gz IWKSSCWPMMVFBG-UJODKQELSA-N 0 0 530.669 4.642 1 0 KJAFRN C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@@H]12 ZINC000028464003 561925964 /nfs/dbraw/zinc/92/59/64/561925964.db2.gz IWKSSCWPMMVFBG-YBJJANMISA-N 0 0 530.669 4.642 1 0 KJAFRN C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N2CCC[C@@H](N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)[C@H]12 ZINC000028464006 561925893 /nfs/dbraw/zinc/92/58/93/561925893.db2.gz IWKSSCWPMMVFBG-UBQPIHBDSA-N 0 0 530.669 4.642 1 0 KJAFRN C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(O)CC3)n21 ZINC000028464723 561926049 /nfs/dbraw/zinc/92/60/49/561926049.db2.gz AVUBMOWMBYBZOK-XMMPIXPASA-N 0 0 614.349 4.734 1 0 KJAFRN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2C(=O)C(=O)c3cc(I)ccc32)s1 ZINC000028465284 561926183 /nfs/dbraw/zinc/92/61/83/561926183.db2.gz QLHBUHQTCJSYDO-UHFFFAOYSA-N 0 0 522.751 4.988 1 0 KJAFRN CCCC[C@H](NC(=O)O[C@H](CN1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C(C)(C)C)C(=O)C(=O)Nc1cc[nH]n1 ZINC000028465674 561926162 /nfs/dbraw/zinc/92/61/62/561926162.db2.gz ADKVCJPUSODNCK-VQTJNVASSA-N 0 0 580.608 4.578 1 0 KJAFRN CN(C)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(=O)NCCCN1CCOCC1 ZINC000028465989 561926187 /nfs/dbraw/zinc/92/61/87/561926187.db2.gz HFELCWNEBIIAEQ-UHFFFAOYSA-N 0 0 561.527 4.886 1 0 KJAFRN COC(=O)[C@@H]1C[C@H](OC(=N)C(Cl)(Cl)Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000028467113 561926280 /nfs/dbraw/zinc/92/62/80/561926280.db2.gz SWEVIHKTFQZWOP-XOKLNVNFSA-N 0 0 534.820 4.801 1 0 KJAFRN O=C1N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N[C@H]1Cc1ccc(OCc2ccccc2)cc1 ZINC000028467298 561926252 /nfs/dbraw/zinc/92/62/52/561926252.db2.gz ZQWZOXZKTPYDHR-KYJUHHDHSA-N 0 0 506.602 4.613 1 0 KJAFRN O=C(Nc1ccc(F)cc1F)c1ccc(CN2C(=O)C(=O)c3cc(I)ccc32)s1 ZINC000028467422 561926296 /nfs/dbraw/zinc/92/62/96/561926296.db2.gz QHBQXDUBPFCVNE-UHFFFAOYSA-N 0 0 524.286 4.613 1 0 KJAFRN COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000028468305 561926610 /nfs/dbraw/zinc/92/66/10/561926610.db2.gz IHDOVLHHTAJFKU-XAGHGKQISA-N 0 0 509.555 4.686 1 0 KJAFRN C[C@H]1CCc2c(N3CCC(OC(=O)C(C)(C)C)CC3)c(F)cc3c(=O)c(C(=O)OCOC(=O)C(C)(C)C)cn1c32 ZINC000028470746 561926995 /nfs/dbraw/zinc/92/69/95/561926995.db2.gz FZFDCNVTOMMBRY-KRWDZBQOSA-N 0 0 558.647 4.910 1 0 KJAFRN CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(C)=O)C[C@](C)(O)[C@@]13OC2(C)C ZINC000028471999 561927105 /nfs/dbraw/zinc/92/71/05/561927105.db2.gz XLYDCSRKHWFINQ-SRYNYCSPSA-N 0 0 714.764 4.865 1 0 KJAFRN 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ZINC000028525592 561931438 /nfs/dbraw/zinc/93/14/38/561931438.db2.gz KREKZWAGWSSHGO-AREMUKBSSA-N 0 0 525.045 4.856 1 0 KJAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(F)c(C)c2)cc1 ZINC000028525593 561931465 /nfs/dbraw/zinc/93/14/65/561931465.db2.gz STZVJLMRCUIGKP-AREMUKBSSA-N 0 0 522.617 4.650 1 0 KJAFRN FC(F)CN1CCCC[C@@H]1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc21 ZINC000028525633 561931572 /nfs/dbraw/zinc/93/15/72/561931572.db2.gz RSJYFASOCLFHRR-GOSISDBHSA-N 0 0 501.969 4.969 1 0 KJAFRN FC(F)CN1CCCC[C@H]1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc21 ZINC000028525634 561931519 /nfs/dbraw/zinc/93/15/19/561931519.db2.gz RSJYFASOCLFHRR-SFHVURJKSA-N 0 0 501.969 4.969 1 0 KJAFRN CC(=O)O[C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000028525732 561931591 /nfs/dbraw/zinc/93/15/91/561931591.db2.gz QVVBEGSRBOZGJL-ZZIVESEQSA-N 0 0 508.567 4.571 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@H](OC(=O)[C@H](C)CC)C[C@H]21)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000028525779 561931594 /nfs/dbraw/zinc/93/15/94/561931594.db2.gz FGGPIWICAGRSLN-BLBVACOZSA-N 0 0 518.647 4.615 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@H](OC(=O)[C@H](C)CC)C[C@H]21)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000028525781 561931598 /nfs/dbraw/zinc/93/15/98/561931598.db2.gz FGGPIWICAGRSLN-USRCNWGISA-N 0 0 518.647 4.615 1 0 KJAFRN [NH3+]CCCC[C@@H](NC(=O)[C@@H](Cc1cc(Br)c([O-])c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1 ZINC000028525842 561931601 /nfs/dbraw/zinc/93/16/01/561931601.db2.gz LBPLTZVLRLIUFZ-FQLXRVMXSA-N 0 0 716.515 4.940 1 0 KJAFRN [NH3+]CCCC[C@H](NC(=O)[C@H](Cc1cc(Br)c([O-])c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1 ZINC000028525843 561931783 /nfs/dbraw/zinc/93/17/83/561931783.db2.gz LBPLTZVLRLIUFZ-VMPREFPWSA-N 0 0 716.515 4.940 1 0 KJAFRN CC(=O)O[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000028525954 561931716 /nfs/dbraw/zinc/93/17/16/561931716.db2.gz CRFSVMJCFVSIED-PAYJNPQYSA-N 0 0 605.684 4.562 1 0 KJAFRN CC(=O)O[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000028525955 561931749 /nfs/dbraw/zinc/93/17/49/561931749.db2.gz CRFSVMJCFVSIED-AWWKIHJDSA-N 0 0 605.684 4.562 1 0 KJAFRN CC(=O)O[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000028525956 561931733 /nfs/dbraw/zinc/93/17/33/561931733.db2.gz CRFSVMJCFVSIED-TWAHPPNKSA-N 0 0 605.684 4.562 1 0 KJAFRN CC(=O)O[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000028525957 561931759 /nfs/dbraw/zinc/93/17/59/561931759.db2.gz CRFSVMJCFVSIED-YHGNAODQSA-N 0 0 605.684 4.562 1 0 KJAFRN 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561937687 /nfs/dbraw/zinc/93/76/87/561937687.db2.gz YPOHNWIPWIEUFZ-MVSFAKPFSA-N 0 0 686.095 4.843 1 0 KJAFRN CC(C)CC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569084 561937745 /nfs/dbraw/zinc/93/77/45/561937745.db2.gz OIXTWEGQCSRVEN-UHSQPCAPSA-N 0 0 610.984 4.956 1 0 KJAFRN CCCNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569107 561937738 /nfs/dbraw/zinc/93/77/38/561937738.db2.gz VMPOGPLMXVTSIM-XNMGPUDCSA-N 0 0 611.972 4.503 1 0 KJAFRN CCCNC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569108 561937821 /nfs/dbraw/zinc/93/78/21/561937821.db2.gz VMPOGPLMXVTSIM-VPUSJEBWSA-N 0 0 611.972 4.503 1 0 KJAFRN CC(C)CNC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569110 561937734 /nfs/dbraw/zinc/93/77/34/561937734.db2.gz MDBOTFRSILQXBP-IAPPQJPRSA-N 0 0 625.999 4.749 1 0 KJAFRN COC(=O)CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 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ZINC000028570729 561939018 /nfs/dbraw/zinc/93/90/18/561939018.db2.gz WRXWCWIFEFKMJL-ROJLCIKYSA-N 0 0 657.321 4.941 1 0 KJAFRN O=c1c2ccccc2n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028570842 561939143 /nfs/dbraw/zinc/93/91/43/561939143.db2.gz IXRCRUBTCXFCJM-UHFFFAOYSA-N 0 0 630.672 4.954 1 0 KJAFRN CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CCN(C)C[C@@H]3F)C2=O)CC1 ZINC000028571202 561939267 /nfs/dbraw/zinc/93/92/67/561939267.db2.gz FMWQNIIEHDXZKU-GDFYOEGCSA-N 0 0 539.095 4.907 1 0 KJAFRN CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CCN(C)C[C@@H]3F)C2=O)CC1 ZINC000028571203 561939252 /nfs/dbraw/zinc/93/92/52/561939252.db2.gz FMWQNIIEHDXZKU-HZVPBQBQSA-N 0 0 539.095 4.907 1 0 KJAFRN CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1cccc(OC)c1 ZINC000028571639 561939415 /nfs/dbraw/zinc/93/94/15/561939415.db2.gz VUNCDQVIHHNTRK-XCZPVHLTSA-N 0 0 567.702 4.794 1 0 KJAFRN 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ZINC000028636504 561941255 /nfs/dbraw/zinc/94/12/55/561941255.db2.gz GUQAIXOPXQIGPX-UHFFFAOYSA-N 0 0 537.613 4.557 1 0 KJAFRN CN1CCN(C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)CC1 ZINC000028638132 561941965 /nfs/dbraw/zinc/94/19/65/561941965.db2.gz MNKKAPAIYKSWJT-NDEPHWFRSA-N 0 0 555.679 4.622 1 0 KJAFRN O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCOCC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000028638342 561942203 /nfs/dbraw/zinc/94/22/03/561942203.db2.gz OJQGJTWJCPHIKW-MHZLTWQESA-N 0 0 542.636 4.707 1 0 KJAFRN COc1cc(Br)c(/C=C/S(=O)(=O)CS(=O)(=O)/C=C/c2cc(OC)c(OC)cc2Br)cc1OC ZINC000028639619 561942593 /nfs/dbraw/zinc/94/25/93/561942593.db2.gz AXAHRHMMURZTDE-KQQUZDAGSA-N 0 0 626.341 4.675 1 0 KJAFRN O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000028640004 561942690 /nfs/dbraw/zinc/94/26/90/561942690.db2.gz NLJOOSJKPUUCDY-UHFFFAOYSA-N 0 0 530.673 4.986 1 0 KJAFRN COc1cc(/C=C/S(=O)(=O)CS(=O)(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC ZINC000028641163 561943228 /nfs/dbraw/zinc/94/32/28/561943228.db2.gz CWRACEFPLPGQTB-KQQUZDAGSA-N 0 0 626.341 4.675 1 0 KJAFRN COc1ccc(Br)cc1/C=C/S(=O)(=O)CS(=O)(=O)/C=C/c1cc(Br)ccc1OC ZINC000028641526 561943237 /nfs/dbraw/zinc/94/32/37/561943237.db2.gz UBKAHCQOBKANOO-FIFLTTCUSA-N 0 0 566.289 4.658 1 0 KJAFRN O=C1OC(=CCn2cc(-c3ccc(Br)o3)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028642835 561943857 /nfs/dbraw/zinc/94/38/57/561943857.db2.gz IEGXBAMJFCXQGE-XKZIYDEJSA-N 0 0 577.387 4.645 1 0 KJAFRN O=C1OC(=CCn2cc(-c3ccc(Cl)o3)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028642920 561943928 /nfs/dbraw/zinc/94/39/28/561943928.db2.gz OTOORPBDYHDBIZ-XKZIYDEJSA-N 0 0 532.936 4.536 1 0 KJAFRN O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCOCC3)ccc21 ZINC000028644860 561944482 /nfs/dbraw/zinc/94/44/82/561944482.db2.gz AZKBBIWPORIMHR-FIRIVFDPSA-N 0 0 585.726 4.722 1 0 KJAFRN COc1ccc2[nH]c(C(=O)OCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1 ZINC000028648916 561945552 /nfs/dbraw/zinc/94/55/52/561945552.db2.gz TYCNNHYQIMKBSE-UHFFFAOYSA-N 0 0 648.757 4.988 1 0 KJAFRN COc1ccc2[nH]cc(CCNC(=O)CCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1 ZINC000028648956 561945545 /nfs/dbraw/zinc/94/55/45/561945545.db2.gz DJSZETHZOHXEBC-UHFFFAOYSA-N 0 0 504.631 4.635 1 0 KJAFRN C[C@@H](NC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)O[C@@]23C(=O)c4ccccc4[C@]2(O)OC(=O)[C@@H]13)c1ccccc1 ZINC000028650626 561946064 /nfs/dbraw/zinc/94/60/64/561946064.db2.gz OQCJVCBBBMDASX-UWFYRVCSSA-N 0 0 538.383 4.512 1 0 KJAFRN C[C@@H](NC(=O)[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)O[C@]23C(=O)c4ccccc4[C@@]2(O)OC(=O)[C@H]13)c1ccccc1 ZINC000028650629 561946045 /nfs/dbraw/zinc/94/60/45/561946045.db2.gz OQCJVCBBBMDASX-ZZHZWDQRSA-N 0 0 538.383 4.512 1 0 KJAFRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000028652957 561946106 /nfs/dbraw/zinc/94/61/06/561946106.db2.gz HGCOUDTWOVZHJO-ANZMCEIWSA-N 0 0 642.753 4.588 1 0 KJAFRN CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1=O ZINC000028655848 561946814 /nfs/dbraw/zinc/94/68/14/561946814.db2.gz HPXBSMGSDZHMIW-UHFFFAOYSA-N 0 0 542.644 4.647 1 0 KJAFRN CN(c1nn[nH]n1)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 ZINC000028655851 561946854 /nfs/dbraw/zinc/94/68/54/561946854.db2.gz FYQXEGHPESKWGJ-UHFFFAOYSA-N 0 0 571.686 4.748 1 0 KJAFRN CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(Cc3nn[nH]n3)c2)C1=O ZINC000028655854 561946828 /nfs/dbraw/zinc/94/68/28/561946828.db2.gz RTINXANTUWQPRL-UHFFFAOYSA-N 0 0 556.671 4.571 1 0 KJAFRN CONC(=O)c1cc(/C(=C\CCCC(=O)OC(C)(C)C)c2cc3c(oc(=O)n3C)c(C)c2)cc(C)c1OC ZINC000028656377 561946944 /nfs/dbraw/zinc/94/69/44/561946944.db2.gz UFXGNPYICJHKOU-SRZZPIQSSA-N 0 0 524.614 4.992 1 0 KJAFRN COc1ccc([C@@H](C)N2CCN(c3cc(Oc4cccc5sc(NC(C)=O)nc54)ncn3)CC2)cc1 ZINC000028702019 561947033 /nfs/dbraw/zinc/94/70/33/561947033.db2.gz NKQOQQQBQOCRAL-QGZVFWFLSA-N 0 0 504.616 4.729 1 0 KJAFRN COc1ccc([C@H](C)N2CCN(c3cc(Oc4cccc5sc(NC(C)=O)nc54)ncn3)CC2)cc1 ZINC000028702021 561947052 /nfs/dbraw/zinc/94/70/52/561947052.db2.gz NKQOQQQBQOCRAL-KRWDZBQOSA-N 0 0 504.616 4.729 1 0 KJAFRN Cc1cccc(C)c1-c1cc([N-]S(C)(=O)=O)c2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nnc2c1 ZINC000028702890 561947514 /nfs/dbraw/zinc/94/75/14/561947514.db2.gz YEMPBTUCYHTLFL-UHFFFAOYSA-N 0 0 532.670 4.898 1 0 KJAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@H](OC(=O)CC(C)C)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000028703375 561947723 /nfs/dbraw/zinc/94/77/23/561947723.db2.gz HTPJIMISZAEBAL-MPACXXFOSA-N 0 0 518.647 4.615 1 0 KJAFRN Cc1cc(C(=O)NC2CCCC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000028703687 561947884 /nfs/dbraw/zinc/94/78/84/561947884.db2.gz VOEZJKBTZPTQLU-JOCHJYFZSA-N 0 0 506.006 4.698 1 0 KJAFRN Cc1cc(C(=O)NC2CCCC2)cc2nc(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000028703689 561947911 /nfs/dbraw/zinc/94/79/11/561947911.db2.gz VOEZJKBTZPTQLU-QFIPXVFZSA-N 0 0 506.006 4.698 1 0 KJAFRN O=C(NCCCn1ccnc1)OCCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704176 561948388 /nfs/dbraw/zinc/94/83/88/561948388.db2.gz VSYHGRQNIUNCFF-QFIPXVFZSA-N 0 0 517.051 4.643 1 0 KJAFRN O=C(NCCCn1ccnc1)OCCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704179 561948367 /nfs/dbraw/zinc/94/83/67/561948367.db2.gz VSYHGRQNIUNCFF-JOCHJYFZSA-N 0 0 517.051 4.643 1 0 KJAFRN CC(=O)N[C@@H](CSc1cccc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C ZINC000028704824 561948786 /nfs/dbraw/zinc/94/87/86/561948786.db2.gz KHNXHPYTVFRSSV-NFDQIHTRSA-N 0 0 712.938 4.830 1 0 KJAFRN CC(=O)N[C@H](CSc1cccc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C ZINC000028704826 561948909 /nfs/dbraw/zinc/94/89/09/561948909.db2.gz KHNXHPYTVFRSSV-XTMUJBCUSA-N 0 0 712.938 4.830 1 0 KJAFRN CC(=O)N[C@@H](CSc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C ZINC000028704830 561948929 /nfs/dbraw/zinc/94/89/29/561948929.db2.gz UMVQDTQPSGHVOU-AYXCPNKJSA-N 0 0 712.938 4.830 1 0 KJAFRN CC(=O)N[C@H](CSc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C ZINC000028704833 561948911 /nfs/dbraw/zinc/94/89/11/561948911.db2.gz UMVQDTQPSGHVOU-OQIMXIDESA-N 0 0 712.938 4.830 1 0 KJAFRN O=C(CNc1cccc(C(=O)NCc2ccccc2)n1)N1CCC(Oc2ccccc2C(F)(F)F)CC1 ZINC000028704847 561948937 /nfs/dbraw/zinc/94/89/37/561948937.db2.gz MGDLSFHPYZPDSM-UHFFFAOYSA-N 0 0 512.532 4.512 1 0 KJAFRN O=C(CNc1cccnc1C(=O)NCCc1ccccc1)N1CCC(Oc2ccccc2C(F)(F)F)CC1 ZINC000028704868 561948935 /nfs/dbraw/zinc/94/89/35/561948935.db2.gz AMBCBOPNWFNGRX-UHFFFAOYSA-N 0 0 526.559 4.555 1 0 KJAFRN CCOC(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705602 561949049 /nfs/dbraw/zinc/94/90/49/561949049.db2.gz WTXPDVVXJZYKIZ-OAQYLSRUSA-N 0 0 618.666 4.763 1 0 KJAFRN CCOC(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705605 561949002 /nfs/dbraw/zinc/94/90/02/561949002.db2.gz WTXPDVVXJZYKIZ-NRFANRHFSA-N 0 0 618.666 4.763 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)N3CCCC3)CC2)c(OC)c1 ZINC000028705683 561949171 /nfs/dbraw/zinc/94/91/71/561949171.db2.gz LEUMQVNIJMAQGR-QHCPKHFHSA-N 0 0 643.720 4.822 1 0 KJAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)N3CCCC3)CC2)c(OC)c1 ZINC000028705686 561949152 /nfs/dbraw/zinc/94/91/52/561949152.db2.gz LEUMQVNIJMAQGR-HSZRJFAPSA-N 0 0 643.720 4.822 1 0 KJAFRN COC(=O)N[C@H](C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1)C(C)C ZINC000028705746 561949248 /nfs/dbraw/zinc/94/92/48/561949248.db2.gz NEYBDCQJUACDSK-IPBJYNAHSA-N 0 0 703.772 4.513 1 0 KJAFRN COC(=O)N[C@H](C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1)C(C)C ZINC000028705749 561949306 /nfs/dbraw/zinc/94/93/06/561949306.db2.gz NEYBDCQJUACDSK-FWUCURJTSA-N 0 0 703.772 4.513 1 0 KJAFRN Cc1cc(Nc2ncnc3cnc(N4CCOCC4)cc32)ccc1OC1CCN(C(=O)CC(C)(C)C)CC1 ZINC000028706377 561949604 /nfs/dbraw/zinc/94/96/04/561949604.db2.gz CXWGFZRBLKUTRZ-UHFFFAOYSA-N 0 0 518.662 4.719 1 0 KJAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccccc4F)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706573 561949729 /nfs/dbraw/zinc/94/97/29/561949729.db2.gz RDQVJCDDJXYHEK-SXOMAYOGSA-N 0 0 540.657 4.602 1 0 KJAFRN CCOC(=O)[C@H](Cc1ccc(OCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1)NC(C)=O ZINC000028708261 561950353 /nfs/dbraw/zinc/95/03/53/561950353.db2.gz ZNODEGAIJDIRCE-SANMLTNESA-N 0 0 509.986 4.639 1 0 KJAFRN COc1c(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710584 561951467 /nfs/dbraw/zinc/95/14/67/561951467.db2.gz ZMGCMQVNMYWBEV-UHFFFAOYSA-N 0 0 570.712 4.872 1 0 KJAFRN COc1c(NC(=O)c2cc3cccc(NC(=O)c4cccnc4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710597 561951480 /nfs/dbraw/zinc/95/14/80/561951480.db2.gz XCEXIZOIMNVVBK-UHFFFAOYSA-N 0 0 549.653 4.756 1 0 KJAFRN CNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)n(C)c32)cn1 ZINC000028710600 561951486 /nfs/dbraw/zinc/95/14/86/561951486.db2.gz LULZFMGONJPDIT-UHFFFAOYSA-N 0 0 578.695 4.797 1 0 KJAFRN COCCNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)n(C)c32)cn1 ZINC000028710612 561951616 /nfs/dbraw/zinc/95/16/16/561951616.db2.gz KIQLCZLKZYSWLU-UHFFFAOYSA-N 0 0 622.748 4.814 1 0 KJAFRN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000028711202 561951787 /nfs/dbraw/zinc/95/17/87/561951787.db2.gz ODZZSPNMADKGPQ-DYTOPAQESA-N 0 0 635.761 4.914 1 0 KJAFRN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000028711205 561951815 /nfs/dbraw/zinc/95/18/15/561951815.db2.gz XSHNENOGALPUOZ-KNYYLJOQSA-N 0 0 635.761 4.914 1 0 KJAFRN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000028711206 561951820 /nfs/dbraw/zinc/95/18/20/561951820.db2.gz XSHNENOGALPUOZ-DYTOPAQESA-N 0 0 635.761 4.914 1 0 KJAFRN O=C(NCC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000028711329 561951778 /nfs/dbraw/zinc/95/17/78/561951778.db2.gz RJAHNHBPWHWZAB-QFIPXVFZSA-N 0 0 510.465 4.868 1 0 KJAFRN O=C(NCC[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000028711330 561951837 /nfs/dbraw/zinc/95/18/37/561951837.db2.gz RJAHNHBPWHWZAB-JOCHJYFZSA-N 0 0 510.465 4.868 1 0 KJAFRN CC(=O)O[C@@H](CCNC(=O)c1ccc(-c2ccccn2)cc1)CN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000028711339 561951959 /nfs/dbraw/zinc/95/19/59/561951959.db2.gz KSTDXOPMADKXRO-QHCPKHFHSA-N 0 0 541.479 4.929 1 0 KJAFRN CC(=O)O[C@H](CCNC(=O)c1ccc(-c2ccccn2)cc1)CN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000028711340 561951968 /nfs/dbraw/zinc/95/19/68/561951968.db2.gz KSTDXOPMADKXRO-HSZRJFAPSA-N 0 0 541.479 4.929 1 0 KJAFRN O=C(NC[C@@H](O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000028711343 561951928 /nfs/dbraw/zinc/95/19/28/561951928.db2.gz RUZJOGYMPJWMOY-QFIPXVFZSA-N 0 0 510.465 4.868 1 0 KJAFRN O=C(NC[C@H](O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000028711344 561951976 /nfs/dbraw/zinc/95/19/76/561951976.db2.gz RUZJOGYMPJWMOY-JOCHJYFZSA-N 0 0 510.465 4.868 1 0 KJAFRN O=C1C(=O)N(Cc2ccc(I)cc2)c2c1cc(Br)cc2Br ZINC000028711822 561952412 /nfs/dbraw/zinc/95/24/12/561952412.db2.gz MQWLTEBASGTGJO-UHFFFAOYSA-N 0 0 520.946 4.546 1 0 KJAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br ZINC000028711949 561952569 /nfs/dbraw/zinc/95/25/69/561952569.db2.gz KJGQLWWQNVQQMC-QHCPKHFHSA-N 0 0 577.826 4.624 1 0 KJAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br ZINC000028711950 561952598 /nfs/dbraw/zinc/95/25/98/561952598.db2.gz KJGQLWWQNVQQMC-HSZRJFAPSA-N 0 0 577.826 4.624 1 0 KJAFRN CCCS(=O)(=O)N1CC[C@H]2[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]2C1 ZINC000028712093 561952710 /nfs/dbraw/zinc/95/27/10/561952710.db2.gz YYJDONITQUOTKO-SOMGSJBOSA-N 0 0 512.647 4.776 1 0 KJAFRN COCCOC(=O)N1CC[C@H]2[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]2C1 ZINC000028712095 561952708 /nfs/dbraw/zinc/95/27/08/561952708.db2.gz XNZMQCNPUXLUFV-DXQWTQTISA-N 0 0 508.590 4.820 1 0 KJAFRN Cn1cncc1[C@](N)(c1ccc(Cl)s1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12 ZINC000028712109 561952670 /nfs/dbraw/zinc/95/26/70/561952670.db2.gz XGLRFYSROXIPRP-QHCPKHFHSA-N 0 0 507.410 4.692 1 0 KJAFRN Cn1cncc1[C@@](N)(c1ccc(Cl)s1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12 ZINC000028712110 561952680 /nfs/dbraw/zinc/95/26/80/561952680.db2.gz XGLRFYSROXIPRP-HSZRJFAPSA-N 0 0 507.410 4.692 1 0 KJAFRN Cn1cncc1[C@](O)(c1ccc(Cl)s1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12 ZINC000028712119 561952704 /nfs/dbraw/zinc/95/27/04/561952704.db2.gz BGMFVJMFQZXQKG-QHCPKHFHSA-N 0 0 508.394 4.726 1 0 KJAFRN Cn1cncc1[C@@](O)(c1ccc(Cl)s1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12 ZINC000028712120 561952686 /nfs/dbraw/zinc/95/26/86/561952686.db2.gz BGMFVJMFQZXQKG-HSZRJFAPSA-N 0 0 508.394 4.726 1 0 KJAFRN COC(=O)[C@@H]1C(C(=O)Nc2ccc(C)cc2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028712892 561953452 /nfs/dbraw/zinc/95/34/52/561953452.db2.gz FKHJSENEPASCLW-KAYWLYCHSA-N 0 0 531.561 4.706 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(Cl)cc1Cl ZINC000028713031 561953561 /nfs/dbraw/zinc/95/35/61/561953561.db2.gz ZYERDLUBBQDULC-NDEPHWFRSA-N 0 0 605.448 4.965 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(Cl)cc1Cl ZINC000028713032 561953588 /nfs/dbraw/zinc/95/35/88/561953588.db2.gz ZYERDLUBBQDULC-MUUNZHRXSA-N 0 0 605.448 4.965 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000028713043 561953553 /nfs/dbraw/zinc/95/35/53/561953553.db2.gz BHKONGQOPMGBAD-NDEPHWFRSA-N 0 0 604.555 4.677 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000028713044 561953577 /nfs/dbraw/zinc/95/35/77/561953577.db2.gz BHKONGQOPMGBAD-MUUNZHRXSA-N 0 0 604.555 4.677 1 0 KJAFRN CCCc1ccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713051 561953653 /nfs/dbraw/zinc/95/36/53/561953653.db2.gz JXSOJTPFLYTIFB-WJOKGBTCSA-N 0 0 578.639 4.610 1 0 KJAFRN CCCc1ccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713052 561953732 /nfs/dbraw/zinc/95/37/32/561953732.db2.gz JXSOJTPFLYTIFB-HKBQPEDESA-N 0 0 578.639 4.610 1 0 KJAFRN CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713053 561953759 /nfs/dbraw/zinc/95/37/59/561953759.db2.gz QEEBPAZKDJBCLX-WJOKGBTCSA-N 0 0 578.639 4.781 1 0 KJAFRN CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713054 561953720 /nfs/dbraw/zinc/95/37/20/561953720.db2.gz QEEBPAZKDJBCLX-HKBQPEDESA-N 0 0 578.639 4.781 1 0 KJAFRN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713057 561953774 /nfs/dbraw/zinc/95/37/74/561953774.db2.gz NDMCFDDPNTWJGD-JGCGQSQUSA-N 0 0 592.666 4.955 1 0 KJAFRN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000028713058 561953741 /nfs/dbraw/zinc/95/37/41/561953741.db2.gz NDMCFDDPNTWJGD-YTTGMZPUSA-N 0 0 592.666 4.955 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000028713067 561953753 /nfs/dbraw/zinc/95/37/53/561953753.db2.gz AFCABUAQIBSWHP-NDEPHWFRSA-N 0 0 620.554 4.556 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000028713068 561953718 /nfs/dbraw/zinc/95/37/18/561953718.db2.gz AFCABUAQIBSWHP-MUUNZHRXSA-N 0 0 620.554 4.556 1 0 KJAFRN O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000028713125 561953724 /nfs/dbraw/zinc/95/37/24/561953724.db2.gz GYWOTKPAYCIZNM-UHFFFAOYSA-N 0 0 524.540 4.678 1 0 KJAFRN CC(C)(C)C(=O)[C@@H](C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccco1 ZINC000028713324 561953859 /nfs/dbraw/zinc/95/38/59/561953859.db2.gz GYFUSYNAMZADQL-CSPMIWCGSA-N 0 0 556.615 4.793 1 0 KJAFRN CC(C)(C)[C@@H](O)[C@H](C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000028713331 561953841 /nfs/dbraw/zinc/95/38/41/561953841.db2.gz HLJUVFFKFZRBNV-KMRNHIRYSA-N 0 0 568.670 4.992 1 0 KJAFRN CC(C)(C)[C@H](O)[C@H](C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000028713332 561953917 /nfs/dbraw/zinc/95/39/17/561953917.db2.gz HLJUVFFKFZRBNV-GJKYMDRGSA-N 0 0 568.670 4.992 1 0 KJAFRN CC(C)(C)[C@@H](O)[C@@H](C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000028713333 561953886 /nfs/dbraw/zinc/95/38/86/561953886.db2.gz HLJUVFFKFZRBNV-MRXWCCLKSA-N 0 0 568.670 4.992 1 0 KJAFRN CC(C)(C)[C@H](O)[C@@H](C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000028713334 561953907 /nfs/dbraw/zinc/95/39/07/561953907.db2.gz HLJUVFFKFZRBNV-DKFWREBHSA-N 0 0 568.670 4.992 1 0 KJAFRN O=C1NC(=O)C(=Cc2ccc(OC[C@@H]3COc4cc(Br)c(Br)cc4O3)cc2)S1 ZINC000028714334 561955045 /nfs/dbraw/zinc/95/50/45/561955045.db2.gz CNLGJAZELOMXNN-MZBUBPCCSA-N 0 0 527.190 4.754 1 0 KJAFRN O=C1NC(=O)C(=Cc2ccc(OC[C@H]3COc4cc(Br)c(Br)cc4O3)cc2)S1 ZINC000028714335 561954889 /nfs/dbraw/zinc/95/48/89/561954889.db2.gz CNLGJAZELOMXNN-IPUFQURSSA-N 0 0 527.190 4.754 1 0 KJAFRN COc1cc(C=C2SC(=O)NC2=O)ccc1OC[C@@H]1COc2cc(Br)c(Br)cc2O1 ZINC000028714343 561954973 /nfs/dbraw/zinc/95/49/73/561954973.db2.gz PSKQPZQJOVAUJG-ZUWBEUQZSA-N 0 0 557.216 4.763 1 0 KJAFRN COc1cc(C=C2SC(=O)NC2=O)ccc1OC[C@H]1COc2cc(Br)c(Br)cc2O1 ZINC000028714344 561955012 /nfs/dbraw/zinc/95/50/12/561955012.db2.gz PSKQPZQJOVAUJG-IICXCSHRSA-N 0 0 557.216 4.763 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000028714435 561955129 /nfs/dbraw/zinc/95/51/29/561955129.db2.gz LAADBCXDDPNBAA-QINZXMGZSA-N 0 0 636.650 4.509 1 0 KJAFRN CCCCCO[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1 ZINC000028714437 561955147 /nfs/dbraw/zinc/95/51/47/561955147.db2.gz ISJKTKUYWUHOHW-MWHDTRAWSA-N 0 0 602.677 4.859 1 0 KJAFRN CC(=O)O[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)[C@H]3OC(=O)c1ccco1 ZINC000028714450 561955126 /nfs/dbraw/zinc/95/51/26/561955126.db2.gz XECYEQPZNKDZBP-QINZXMGZSA-N 0 0 636.650 4.509 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1cccc2ccccc21 ZINC000028714478 561955138 /nfs/dbraw/zinc/95/51/38/561955138.db2.gz XGALYOMHIBHTTM-YAFWCZIYSA-N 0 0 634.678 4.776 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)C(C)(C)C ZINC000028714491 561955145 /nfs/dbraw/zinc/95/51/45/561955145.db2.gz WNXMTDUOZWCBKX-WRXBARQZSA-N 0 0 626.699 4.649 1 0 KJAFRN CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(=O)c3cccnc3)C[C@@](C)(O)[C@]13OC(C)(C)[C@H](C[C@@H]2OCc1ccccc1)[C@H]3OCc1ccccc1 ZINC000028714500 561955225 /nfs/dbraw/zinc/95/52/25/561955225.db2.gz FGMVOGJVFMNBBO-RQBJGGMLSA-N 0 0 687.786 4.981 1 0 KJAFRN CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(C)=O)C[C@@](C)(O)[C@@]13OC2(C)C ZINC000028714503 561955222 /nfs/dbraw/zinc/95/52/22/561955222.db2.gz XLYDCSRKHWFINQ-BCEZJGSMSA-N 0 0 714.764 4.865 1 0 KJAFRN CC(=O)O[C@@H]1[C@H]2[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)C[C@@](C)(O)[C@@]13OC2(C)C ZINC000028714506 561955209 /nfs/dbraw/zinc/95/52/09/561955209.db2.gz PXDXQOQNFDIAAF-BCEZJGSMSA-N 0 0 714.764 4.865 1 0 KJAFRN CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)CC[C@@](C)(O)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1ccccc1 ZINC000028714508 561955235 /nfs/dbraw/zinc/95/52/35/561955235.db2.gz NNJSHWQUZCBWFH-OFBMIMMCSA-N 0 0 714.764 4.867 1 0 KJAFRN CC(=O)O[C@@H]1C[C@@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3 ZINC000028714515 561955273 /nfs/dbraw/zinc/95/52/73/561955273.db2.gz UCMCNBKFGRBCRY-WQDLXPGRSA-N 0 0 562.659 4.888 1 0 KJAFRN CC(=O)O[C@@H]1[C@H](O)[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3 ZINC000028714517 561955262 /nfs/dbraw/zinc/95/52/62/561955262.db2.gz DIKIZDXXAPONTM-BLPDMIMTSA-N 0 0 562.659 4.743 1 0 KJAFRN CC(=O)O[C@@H]1[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@@H](OC(=O)c2ccccc2)[C@@H]1O)C(C)(C)O3 ZINC000028714518 561955269 /nfs/dbraw/zinc/95/52/69/561955269.db2.gz IYPAPAPBVAKARI-BLPDMIMTSA-N 0 0 562.659 4.743 1 0 KJAFRN CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]3C[C@]2(OC3(C)C)[C@](C)(O)[C@H]1OC(C)=O ZINC000028714525 561955260 /nfs/dbraw/zinc/95/52/60/561955260.db2.gz XTDALQSFSCVEQQ-LQCMKGNCSA-N 0 0 714.764 4.865 1 0 KJAFRN CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)C(C)(C)CC1=O ZINC000028754783 561955294 /nfs/dbraw/zinc/95/52/94/561955294.db2.gz CSAOSHQXKOMPML-UHFFFAOYSA-N 0 0 601.715 4.860 1 0 KJAFRN C[C@@H]1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 ZINC000028755415 561955484 /nfs/dbraw/zinc/95/54/84/561955484.db2.gz PZMJWHUFTIZZGX-QGZVFWFLSA-N 0 0 502.582 4.669 1 0 KJAFRN C[C@H]1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 ZINC000028755417 561955479 /nfs/dbraw/zinc/95/54/79/561955479.db2.gz PZMJWHUFTIZZGX-KRWDZBQOSA-N 0 0 502.582 4.669 1 0 KJAFRN CCCCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)C[C@@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028755586 561955663 /nfs/dbraw/zinc/95/56/63/561955663.db2.gz WZWAEQALYFHGBP-QFIPXVFZSA-N 0 0 603.731 4.935 1 0 KJAFRN CCCCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)C[C@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028755588 561955691 /nfs/dbraw/zinc/95/56/91/561955691.db2.gz WZWAEQALYFHGBP-JOCHJYFZSA-N 0 0 603.731 4.935 1 0 KJAFRN Cc1cc(=O)[nH]nc1-c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 ZINC000028756264 561956209 /nfs/dbraw/zinc/95/62/09/561956209.db2.gz KIDSBZQLILXVNO-UHFFFAOYSA-N 0 0 500.566 4.868 1 0 KJAFRN COC(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)[C@@H](C)CC1=O ZINC000028756877 561956637 /nfs/dbraw/zinc/95/66/37/561956637.db2.gz UTTGGRMHROJJKK-IBGZPJMESA-N 0 0 574.645 4.555 1 0 KJAFRN COC(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)[C@H](C)CC1=O ZINC000028756879 561956622 /nfs/dbraw/zinc/95/66/22/561956622.db2.gz UTTGGRMHROJJKK-LJQANCHMSA-N 0 0 574.645 4.555 1 0 KJAFRN CCCCc1nc2ccc(C3=NNC(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028756978 561956629 /nfs/dbraw/zinc/95/66/29/561956629.db2.gz LUKCOLKPGAOONG-UHFFFAOYSA-N 0 0 504.598 4.888 1 0 KJAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc3ccccc3c2)C1=O ZINC000028757000 561956618 /nfs/dbraw/zinc/95/66/18/561956618.db2.gz ORKPEPIRWYIGIT-UUWRZZSWSA-N 0 0 574.681 4.584 1 0 KJAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc3ccccc3c2)C1=O ZINC000028757003 561956642 /nfs/dbraw/zinc/95/66/42/561956642.db2.gz ORKPEPIRWYIGIT-UMSFTDKQSA-N 0 0 574.681 4.584 1 0 KJAFRN CCOC(=O)C1CCN(C(=O)c2cc3cc(OC)c(OC)cc3c(-c3cc(OC)c(OC)c(OC)c3)c2C(=O)OC)CC1 ZINC000028757926 561957172 /nfs/dbraw/zinc/95/71/72/561957172.db2.gz LJLHVSDEOIFKQI-UHFFFAOYSA-N 0 0 595.645 4.752 1 0 KJAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc32)C1=O ZINC000028758707 561957396 /nfs/dbraw/zinc/95/73/96/561957396.db2.gz LYCIMXAIPATGIE-UUWRZZSWSA-N 0 0 574.681 4.584 1 0 KJAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc32)C1=O ZINC000028758710 561957386 /nfs/dbraw/zinc/95/73/86/561957386.db2.gz LYCIMXAIPATGIE-UMSFTDKQSA-N 0 0 574.681 4.584 1 0 KJAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O ZINC000028759487 561957634 /nfs/dbraw/zinc/95/76/34/561957634.db2.gz ZSDPRWXPTKBTKU-SSEXGKCCSA-N 0 0 593.511 4.738 1 0 KJAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccc(Cl)c(Cl)c2)C1=O ZINC000028759489 561957600 /nfs/dbraw/zinc/95/76/00/561957600.db2.gz ZSDPRWXPTKBTKU-PMERELPUSA-N 0 0 593.511 4.738 1 0 KJAFRN OCCOCOCc1cc(CCCCCCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1 ZINC000028759755 561957658 /nfs/dbraw/zinc/95/76/58/561957658.db2.gz ZAYMTXCZBWEEPQ-UHFFFAOYSA-N 0 0 501.407 4.813 1 0 KJAFRN CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OC(F)(F)F)c2)CC1 ZINC000028760741 561957909 /nfs/dbraw/zinc/95/79/09/561957909.db2.gz NIABKVAPFOJEDI-UHFFFAOYSA-N 0 0 575.584 4.665 1 0 KJAFRN CCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 ZINC000028760884 561957995 /nfs/dbraw/zinc/95/79/95/561957995.db2.gz VFAFHVAMVOWFAO-QFIPXVFZSA-N 0 0 540.755 4.829 1 0 KJAFRN CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1 ZINC000028761591 561958225 /nfs/dbraw/zinc/95/82/25/561958225.db2.gz QAQMESYTRBVRBT-QFIPXVFZSA-N 0 0 558.745 4.778 1 0 KJAFRN CCCCNC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 ZINC000028761760 561958234 /nfs/dbraw/zinc/95/82/34/561958234.db2.gz JRSKVACFKLCUQH-SANMLTNESA-N 0 0 654.903 4.908 1 0 KJAFRN CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1)C(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1cccc2cnccc21 ZINC000028762170 561958423 /nfs/dbraw/zinc/95/84/23/561958423.db2.gz HFWIFRWXXDAWBQ-XIFFEERXSA-N 0 0 722.849 4.526 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)N(C(=O)NC4CCCCC4)C4CCCCC4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028764867 561959302 /nfs/dbraw/zinc/95/93/02/561959302.db2.gz CZFALUGXZQSBBJ-UHFFFAOYSA-N 0 0 592.741 4.956 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)C=Cc1cc(OC)c(C(C)=O)c(OC)c1)CC2 ZINC000028767317 561959992 /nfs/dbraw/zinc/95/99/92/561959992.db2.gz UPQOSEOIVXZJLN-NWMLYGLHSA-N 0 0 589.641 4.785 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(I)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028767382 561959996 /nfs/dbraw/zinc/95/99/96/561959996.db2.gz PQXXEXDXFXVSES-LVEBQJTPSA-N 0 0 601.393 4.831 1 0 KJAFRN O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000028767419 561959945 /nfs/dbraw/zinc/95/99/45/561959945.db2.gz PRZBJFJIXFKIKC-UHFFFAOYSA-N 0 0 518.503 4.626 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cc(F)cc(F)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028767431 561959935 /nfs/dbraw/zinc/95/99/35/561959935.db2.gz AFCBAAKXKLOUAS-LVEBQJTPSA-N 0 0 511.477 4.504 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(Br)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028767749 561960056 /nfs/dbraw/zinc/96/00/56/561960056.db2.gz LBMNKSVDVWAMED-LVEBQJTPSA-N 0 0 554.393 4.989 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(Br)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028767981 561960242 /nfs/dbraw/zinc/96/02/42/561960242.db2.gz CATJUKLUOSWEDS-LVEBQJTPSA-N 0 0 554.393 4.989 1 0 KJAFRN COc1cc(N2CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc54)cc3)CC2)nc(OC)n1 ZINC000028768074 561960223 /nfs/dbraw/zinc/96/02/23/561960223.db2.gz JSACXAZQIWVVMU-UHFFFAOYSA-N 0 0 538.530 4.767 1 0 KJAFRN COCCOCCN(C(=O)c1ccccc1)c1ccc2ncn(Cc3ccc(-c4ccccc4-c4nnnn4C)cc3)c(=O)c2c1 ZINC000028768407 561960263 /nfs/dbraw/zinc/96/02/63/561960263.db2.gz RSEJWJRTJQUANC-UHFFFAOYSA-N 0 0 615.694 4.612 1 0 KJAFRN Nc1ncnc2c1ncn2OCCOCP(=O)(OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1 ZINC000028768419 561960258 /nfs/dbraw/zinc/96/02/58/561960258.db2.gz WVUWISCXKXDRAF-UHFFFAOYSA-N 0 0 538.328 4.745 1 0 KJAFRN COC(=O)CCCC[C@H]1[C@@H]2[C@@H](CS1(=O)=O)N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028768533 561960440 /nfs/dbraw/zinc/96/04/40/561960440.db2.gz FAJDYRCRPWTHCR-GPXNEJASSA-N 0 0 628.383 4.917 1 0 KJAFRN COC(=O)CCCC[C@H]1[C@H]2[C@@H](CS1(=O)=O)N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028768535 561960437 /nfs/dbraw/zinc/96/04/37/561960437.db2.gz FAJDYRCRPWTHCR-AOHZBQACSA-N 0 0 628.383 4.917 1 0 KJAFRN COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1(=O)=O)N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028768537 561960479 /nfs/dbraw/zinc/96/04/79/561960479.db2.gz FAJDYRCRPWTHCR-FIXSFTCYSA-N 0 0 628.383 4.917 1 0 KJAFRN COC(=O)CCCC[C@H]1[C@H]2[C@H](CS1(=O)=O)N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028768539 561960450 /nfs/dbraw/zinc/96/04/50/561960450.db2.gz FAJDYRCRPWTHCR-WPFOTENUSA-N 0 0 628.383 4.917 1 0 KJAFRN Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(N(Cc4ccccn4)C(=O)c4ccncc4)cc3c2=O)cc1 ZINC000028768647 561960454 /nfs/dbraw/zinc/96/04/54/561960454.db2.gz FLSISKDSSXJVNN-UHFFFAOYSA-N 0 0 605.662 4.939 1 0 KJAFRN O=C1N(Cc2cccc(Br)c2)[C@@H]2CS(=O)(=O)[C@@H](CCCCCO)[C@H]2N1Cc1cccc(Br)c1 ZINC000028768982 561960618 /nfs/dbraw/zinc/96/06/18/561960618.db2.gz GSRIPVPMFSTNRZ-VJBWXMMDSA-N 0 0 600.373 4.736 1 0 KJAFRN O=C1N(Cc2cccc(Br)c2)[C@@H]2[C@@H](CS(=O)(=O)[C@H]2CCCCCO)N1Cc1cccc(Br)c1 ZINC000028768984 561960642 /nfs/dbraw/zinc/96/06/42/561960642.db2.gz GSRIPVPMFSTNRZ-XPWALMASSA-N 0 0 600.373 4.736 1 0 KJAFRN O=C1N(Cc2cccc(Br)c2)[C@H]2CS(=O)(=O)[C@@H](CCCCCO)[C@H]2N1Cc1cccc(Br)c1 ZINC000028768986 561960630 /nfs/dbraw/zinc/96/06/30/561960630.db2.gz GSRIPVPMFSTNRZ-VABKMULXSA-N 0 0 600.373 4.736 1 0 KJAFRN O=C1N(Cc2cccc(Br)c2)[C@H]2CS(=O)(=O)[C@@H](CCCCCO)[C@@H]2N1Cc1cccc(Br)c1 ZINC000028768988 561960625 /nfs/dbraw/zinc/96/06/25/561960625.db2.gz GSRIPVPMFSTNRZ-RJGXRXQPSA-N 0 0 600.373 4.736 1 0 KJAFRN O=C(Cc1cccnc1)NCCCCCN1C(=O)N(CCCCCNC(=O)Cc2cccnc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000028769013 561960623 /nfs/dbraw/zinc/96/06/23/561960623.db2.gz CHKJHBSKSVTXCY-VNXDFUDDSA-N 0 0 734.942 4.517 1 0 KJAFRN Nc1ncnc2c1ncn2OCCOCP(=O)(OCc1ccc(Br)cc1)OCc1ccc(Br)cc1 ZINC000028769077 561960566 /nfs/dbraw/zinc/96/05/66/561960566.db2.gz YRIGYUYMMRSANB-UHFFFAOYSA-N 0 0 627.230 4.963 1 0 KJAFRN Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(N(CCCCO)C(=O)c4ccccc4)cc3c2=O)cc1 ZINC000028769501 561960891 /nfs/dbraw/zinc/96/08/91/561960891.db2.gz SXRMWROVGIOVSI-UHFFFAOYSA-N 0 0 585.668 4.722 1 0 KJAFRN CCOCCN(C(=O)c1ccccc1)c1ccc2ncn(Cc3ccc(-c4ccccc4-c4nnnn4C)cc3)c(=O)c2c1 ZINC000028769505 561960860 /nfs/dbraw/zinc/96/08/60/561960860.db2.gz PZNMFCMIKNBEDK-UHFFFAOYSA-N 0 0 585.668 4.986 1 0 KJAFRN Nc1ncnc2c1ncn2OCCOCP(=O)(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1 ZINC000028769726 561960994 /nfs/dbraw/zinc/96/09/94/561960994.db2.gz VRRFPRQISROVRO-UHFFFAOYSA-N 0 0 599.176 4.687 1 0 KJAFRN O=C(NCCCCCN1C(=O)N(CCCCCNC(=O)c2ccncc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1)c1ccncc1 ZINC000028769742 561961009 /nfs/dbraw/zinc/96/10/09/561961009.db2.gz QUUQERMKKZCHEO-RNATXAOGSA-N 0 0 706.888 4.659 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cnc5ccccc5c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028772281 561961686 /nfs/dbraw/zinc/96/16/86/561961686.db2.gz WGVCJBRLEDPWPV-PCULNXKLSA-N 0 0 526.545 4.774 1 0 KJAFRN CCOC(=O)c1cc2c(cc1Cl)SC(N(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1)=NS2(=O)=O ZINC000028814828 561961681 /nfs/dbraw/zinc/96/16/81/561961681.db2.gz PTWGMVLHSAJBOZ-UHFFFAOYSA-N 0 0 567.066 4.571 1 0 KJAFRN CCOC(=O)c1cc2c(cc1Cl)SC(N(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1)=NS2(=O)=O ZINC000028814830 561961619 /nfs/dbraw/zinc/96/16/19/561961619.db2.gz PYTNSNPHCLJYHX-UHFFFAOYSA-N 0 0 585.056 4.710 1 0 KJAFRN CC(C)OC(=O)N1CCC(CN([C@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)cn3)C2)S(=O)(=O)c2cn(C)cn2)CC1 ZINC000028816051 561963728 /nfs/dbraw/zinc/96/37/28/561963728.db2.gz QTKIYBABUWNEGE-HKBQPEDESA-N 0 0 645.830 4.700 1 0 KJAFRN CC(C)OC(=O)N1CCC(CN([C@@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)cn3)C2)S(=O)(=O)c2cn(C)cn2)CC1 ZINC000028816053 561963764 /nfs/dbraw/zinc/96/37/64/561963764.db2.gz QTKIYBABUWNEGE-WJOKGBTCSA-N 0 0 645.830 4.700 1 0 KJAFRN Cn1cnc(CN2C[C@@H](N(Cc3ccccc3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816069 561963807 /nfs/dbraw/zinc/96/38/07/561963807.db2.gz MIXHHZWBIUBRHC-LJAQVGFWSA-N 0 0 552.704 4.643 1 0 KJAFRN Cn1cnc(CN2C[C@H](N(Cc3ccccc3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816071 561963779 /nfs/dbraw/zinc/96/37/79/561963779.db2.gz MIXHHZWBIUBRHC-GDLZYMKVSA-N 0 0 552.704 4.643 1 0 KJAFRN Cc1ccccc1CN([C@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816073 561963735 /nfs/dbraw/zinc/96/37/35/561963735.db2.gz MZCRLEHHMLPYIR-PMERELPUSA-N 0 0 566.731 4.951 1 0 KJAFRN Cc1ccccc1CN([C@@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816076 561963731 /nfs/dbraw/zinc/96/37/31/561963731.db2.gz MZCRLEHHMLPYIR-SSEXGKCCSA-N 0 0 566.731 4.951 1 0 KJAFRN Cn1cnc(CN2C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3cccs3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816096 561963922 /nfs/dbraw/zinc/96/39/22/561963922.db2.gz BRBKTKVRJLNVDM-SANMLTNESA-N 0 0 577.776 4.686 1 0 KJAFRN Cn1cnc(CN2C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3cccs3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816098 561963931 /nfs/dbraw/zinc/96/39/31/561963931.db2.gz BRBKTKVRJLNVDM-AREMUKBSSA-N 0 0 577.776 4.686 1 0 KJAFRN Cn1cnc(CN2C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3ccccc3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816100 561963943 /nfs/dbraw/zinc/96/39/43/561963943.db2.gz PWIOKPJOOHMSQX-NDEPHWFRSA-N 0 0 571.747 4.624 1 0 KJAFRN Cn1cnc(CN2C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3ccccc3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816101 561963935 /nfs/dbraw/zinc/96/39/35/561963935.db2.gz PWIOKPJOOHMSQX-MUUNZHRXSA-N 0 0 571.747 4.624 1 0 KJAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2c1 ZINC000028817479 561964974 /nfs/dbraw/zinc/96/49/74/561964974.db2.gz APGDOAHBERAUPM-HNNXBMFYSA-N 0 0 564.465 4.523 1 0 KJAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3Br)SCC(=O)N5)C4)c2c1 ZINC000028817480 561964880 /nfs/dbraw/zinc/96/48/80/561964880.db2.gz APGDOAHBERAUPM-OAHLLOKOSA-N 0 0 564.465 4.523 1 0 KJAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3C(F)(F)F)SCC(=O)N5)C4)c2c1 ZINC000028817486 561964935 /nfs/dbraw/zinc/96/49/35/561964935.db2.gz NBKJWJYGDAGZJA-HNNXBMFYSA-N 0 0 553.566 4.779 1 0 KJAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3C(F)(F)F)SCC(=O)N5)C4)c2c1 ZINC000028817487 561964898 /nfs/dbraw/zinc/96/48/98/561964898.db2.gz NBKJWJYGDAGZJA-OAHLLOKOSA-N 0 0 553.566 4.779 1 0 KJAFRN CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(Cc2ccoc2)C1 ZINC000028818504 561965236 /nfs/dbraw/zinc/96/52/36/561965236.db2.gz JJJKKFREMVFRMZ-VXKWHMMOSA-N 0 0 538.073 4.945 1 0 KJAFRN CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CCN(CC(=O)C(C)(C)C)C1 ZINC000028818526 561965327 /nfs/dbraw/zinc/96/53/27/561965327.db2.gz GMHQJBKYAGURAB-SFTDATJTSA-N 0 0 556.132 4.767 1 0 KJAFRN CC[C@@H](C)C(=O)N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@@H]2OC(C)=O ZINC000028818690 561965405 /nfs/dbraw/zinc/96/54/05/561965405.db2.gz HCNJABPCRMQADU-VRFNKKFKSA-N 0 0 672.775 4.644 1 0 KJAFRN CC[C@H](C)C(=O)N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@@H]2OC(C)=O ZINC000028818692 565107075 /nfs/dbraw/zinc/10/70/75/565107075.db2.gz HCNJABPCRMQADU-GWLUIEKISA-N 0 0 672.775 4.644 1 0 biogenic,in-vitro KJAFRN O=C(CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2)NCc1ccc(C(F)(F)F)cc1 ZINC000028818846 561965307 /nfs/dbraw/zinc/96/53/07/561965307.db2.gz SFGIHMAJHAGGRH-UHFFFAOYSA-N 0 0 552.553 4.817 1 0 KJAFRN COc1cc(-c2nnc(Sc3ncnc4ccc(I)cc43)s2)cc(OC)c1OC ZINC000028819730 561965788 /nfs/dbraw/zinc/96/57/88/561965788.db2.gz VDHJMPMCUCJMGB-UHFFFAOYSA-N 0 0 538.392 4.930 1 0 KJAFRN CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819866 561965841 /nfs/dbraw/zinc/96/58/41/561965841.db2.gz DMRIPKYRMQDYPR-GOSISDBHSA-N 0 0 652.085 4.842 1 0 KJAFRN CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819868 561965821 /nfs/dbraw/zinc/96/58/21/561965821.db2.gz DMRIPKYRMQDYPR-SFHVURJKSA-N 0 0 652.085 4.842 1 0 KJAFRN CCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819883 561965822 /nfs/dbraw/zinc/96/58/22/561965822.db2.gz ICUWPCWOVXMATD-HXUWFJFHSA-N 0 0 631.667 4.579 1 0 KJAFRN CCCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819885 561965832 /nfs/dbraw/zinc/96/58/32/561965832.db2.gz ICUWPCWOVXMATD-FQEVSTJZSA-N 0 0 631.667 4.579 1 0 KJAFRN CCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819890 561965811 /nfs/dbraw/zinc/96/58/11/561965811.db2.gz MJXFSPSHUFUMLV-OAQYLSRUSA-N 0 0 645.694 4.887 1 0 KJAFRN CCCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819892 561965800 /nfs/dbraw/zinc/96/58/00/561965800.db2.gz MJXFSPSHUFUMLV-NRFANRHFSA-N 0 0 645.694 4.887 1 0 KJAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000028819928 561965796 /nfs/dbraw/zinc/96/57/96/561965796.db2.gz LKQNZSPFYVTILM-XGSRTJENSA-N 0 0 748.941 4.809 1 0 KJAFRN COc1ccc(C[C@H](NC(=O)Cc2cccc(Oc3ccccc3)c2)C(=O)N[C@@H](C(=O)N[C@@]2(Cc3ccccc3)CNC2=O)C(C)(C)C)c(OC)c1OC ZINC000028820081 561965962 /nfs/dbraw/zinc/96/59/62/561965962.db2.gz PFUYVZWYPPHDTL-RRYVTPFOSA-N 0 0 736.866 4.533 1 0 KJAFRN COc1ccc(C[C@H](NC(=O)Cc2cccc(Oc3ccccc3)c2)C(=O)N[C@H](C(=O)N[C@@]2(Cc3ccccc3)CNC2=O)C(C)(C)C)c(OC)c1OC ZINC000028820084 561965963 /nfs/dbraw/zinc/96/59/63/561965963.db2.gz PFUYVZWYPPHDTL-XDXSIIOJSA-N 0 0 736.866 4.533 1 0 KJAFRN COc1ccc(CNC(=O)c2ccc([C@H]3c4[nH]cnc4CCN3Cc3cc(OC)c(OC)cc3OC)cc2)cc1 ZINC000028820400 561966062 /nfs/dbraw/zinc/96/60/62/561966062.db2.gz JAHCAIAZQREEGE-PMERELPUSA-N 0 0 542.636 4.522 1 0 KJAFRN COc1ccc(CNC(=O)c2ccc([C@@H]3c4[nH]cnc4CCN3Cc3cc(OC)c(OC)cc3OC)cc2)cc1 ZINC000028820402 561966006 /nfs/dbraw/zinc/96/60/06/561966006.db2.gz JAHCAIAZQREEGE-SSEXGKCCSA-N 0 0 542.636 4.522 1 0 KJAFRN C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CCNS(C)(=O)=O)ccn32)n1)c1ccccc1 ZINC000028822162 561966727 /nfs/dbraw/zinc/96/67/27/561966727.db2.gz IBVGSNLFKCUCPR-NRFANRHFSA-N 0 0 573.698 4.752 1 0 KJAFRN Cc1c(CN2CCOC[C@H]2Cc2ccccc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822539 561967138 /nfs/dbraw/zinc/96/71/38/561967138.db2.gz NFGLLDVBPXEZMJ-HSZRJFAPSA-N 0 0 536.097 4.935 1 0 KJAFRN COc1cc(-c2csc3c2c(N)ncc3C(=O)N2CCN(C)CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822576 561967366 /nfs/dbraw/zinc/96/73/66/561967366.db2.gz OLYJKDUGZAYMCA-UHFFFAOYSA-N 0 0 554.676 4.686 1 0 KJAFRN COc1cc(-c2csc3c2c(N)ncc3/C=C/CNS(C)(=O)=O)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822586 561967356 /nfs/dbraw/zinc/96/73/56/561967356.db2.gz PPMIDRHAKGRIKM-SOFGYWHQSA-N 0 0 561.689 4.861 1 0 KJAFRN CCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc(Br)cc1)n2CCC(N)=O)C1CCCCC1 ZINC000028822764 561967605 /nfs/dbraw/zinc/96/76/05/561967605.db2.gz LMHXANVPOCTCND-UHFFFAOYSA-N 0 0 540.462 4.721 1 0 KJAFRN O=C1NC(=S)SC1=Cc1c(C(F)(F)F)nn(C2CCCCC2)c1N1CCN(c2ncccn2)CC1 ZINC000028822838 561967621 /nfs/dbraw/zinc/96/76/21/561967621.db2.gz SWGKMWDADBISOF-SSZFMOIBSA-N 0 0 523.610 4.853 1 0 KJAFRN CN(C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc3c(Cl)c[nH]c3c2)cc1 ZINC000028822893 561967583 /nfs/dbraw/zinc/96/75/83/561967583.db2.gz DDOAOMITLAUVGV-BJKOFHAPSA-N 0 0 519.049 4.540 1 0 KJAFRN O=C(N[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000028822938 561967675 /nfs/dbraw/zinc/96/76/75/561967675.db2.gz ZQIRBMMDCSIZMZ-NTKDMRAZSA-N 0 0 524.042 4.735 1 0 KJAFRN O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1F)c1ccc2c(Cl)c[nH]c2c1 ZINC000028822940 561967685 /nfs/dbraw/zinc/96/76/85/561967685.db2.gz LUXUICRDQDEJKF-PKTZIBPZSA-N 0 0 506.965 4.582 1 0 KJAFRN CN1c2ccccc2C(c2ccc(C(F)(F)F)cc2)=N[C@H](NC(=O)C2(C(=O)NCCC3CCCC3)CCC2)C1=O ZINC000028822949 561967730 /nfs/dbraw/zinc/96/77/30/561967730.db2.gz PPYFVEDKELWYPU-RUZDIDTESA-N 0 0 554.613 4.828 1 0 KJAFRN CCOC(=O)N1[C@@H]2C=C[C@@](OC)(C(=O)c3c2cc(OC)c(OC)c3OCc2ccc(Cl)cc2)N1C(=O)OCC ZINC000028823735 561968337 /nfs/dbraw/zinc/96/83/37/561968337.db2.gz NFDVTGUSFQPMAG-XHCCPWGMSA-N 0 0 560.987 4.918 1 0 KJAFRN CCCOc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC(C)C)N1C(=O)OCC(C)C ZINC000028823740 561968461 /nfs/dbraw/zinc/96/84/61/561968461.db2.gz XWGPVSJEZKKWCJ-XHCCPWGMSA-N 0 0 534.606 4.747 1 0 KJAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H](CSC[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccccc1 ZINC000028823850 561968445 /nfs/dbraw/zinc/96/84/45/561968445.db2.gz VKJOODLFPAXUHI-SLJXGACLSA-N 0 0 620.815 4.986 1 0 KJAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](CSC[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccccc1 ZINC000028823851 561968578 /nfs/dbraw/zinc/96/85/78/561968578.db2.gz VKJOODLFPAXUHI-PEZQJEEUSA-N 0 0 620.815 4.986 1 0 KJAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](CSC[C@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccccc1 ZINC000028823852 561968568 /nfs/dbraw/zinc/96/85/68/561968568.db2.gz VKJOODLFPAXUHI-NIKXTCQWSA-N 0 0 620.815 4.986 1 0 KJAFRN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3[C@@H](O)CC(=O)N3Cc3ccccc32)c(Cl)c1 ZINC000028824051 561968705 /nfs/dbraw/zinc/96/87/05/561968705.db2.gz YGZVZOIXXFTWBR-DEOSSOPVSA-N 0 0 505.933 4.635 1 0 KJAFRN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3[C@H](O)CC(=O)N3Cc3ccccc32)c(Cl)c1 ZINC000028824052 561968755 /nfs/dbraw/zinc/96/87/55/561968755.db2.gz YGZVZOIXXFTWBR-XMMPIXPASA-N 0 0 505.933 4.635 1 0 KJAFRN Clc1ccc2c(c1)nccc2N1CCN(Cc2nc(Cc3ccccc3)c(N3CCOCC3)o2)CC1 ZINC000028824122 561969061 /nfs/dbraw/zinc/96/90/61/561969061.db2.gz GHUGNZJWGFESDO-UHFFFAOYSA-N 0 0 504.034 4.626 1 0 KJAFRN CCn1nc(C)c(Br)c1C(=O)NC[C@@](O)(C[C@@]1(C)CCCc2ccccc21)C(F)(F)F ZINC000028824189 561969288 /nfs/dbraw/zinc/96/92/88/561969288.db2.gz DPCWMMYFTXHIPG-RTWAWAEBSA-N 0 0 502.375 4.681 1 0 KJAFRN CCn1nc(C)c(Br)c1C(=O)NC[C@](O)(C[C@@]1(C)CCCc2ccccc21)C(F)(F)F ZINC000028824190 561969307 /nfs/dbraw/zinc/96/93/07/561969307.db2.gz DPCWMMYFTXHIPG-NHCUHLMSSA-N 0 0 502.375 4.681 1 0 KJAFRN CCn1nc(C)c(Br)c1C(=O)NC[C@@](O)(C[C@]1(C)CCCc2ccccc21)C(F)(F)F ZINC000028824191 561969308 /nfs/dbraw/zinc/96/93/08/561969308.db2.gz 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XXBWFHYDCKYCLS-UHFFFAOYSA-N 0 0 547.593 4.905 1 0 KJAFRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3nc4n(n3)S(=O)(=O)c3ccccc3N4c3ccccc3)cc2)cc1 ZINC000028948694 561980442 /nfs/dbraw/zinc/98/04/42/561980442.db2.gz AXETYEZYDAEZBF-UHFFFAOYSA-N 0 0 586.655 4.725 1 0 KJAFRN O=S(=O)(N[C@@H]1Cc2ccc(-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)cc2C1)c1ccccc1 ZINC000028949505 561980548 /nfs/dbraw/zinc/98/05/48/561980548.db2.gz ONHJIXSTAYJGBY-RUZDIDTESA-N 0 0 528.655 4.991 1 0 KJAFRN O=S(=O)(N[C@H]1Cc2ccc(-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)cc2C1)c1ccccc1 ZINC000028949507 561980541 /nfs/dbraw/zinc/98/05/41/561980541.db2.gz ONHJIXSTAYJGBY-VWLOTQADSA-N 0 0 528.655 4.991 1 0 KJAFRN C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(Br)cc(c2)COC1=O ZINC000028950041 561981238 /nfs/dbraw/zinc/98/12/38/561981238.db2.gz BJQQKXLXTMVJHC-SHQCIBLASA-N 0 0 507.428 4.870 1 0 KJAFRN O=C(NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000028950288 561981242 /nfs/dbraw/zinc/98/12/42/561981242.db2.gz CEWYALTWKWNSPE-UHFFFAOYSA-N 0 0 611.701 4.612 1 0 KJAFRN CC(C)(CO)N1CCN(C(=O)OC2([C@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028950674 561981398 /nfs/dbraw/zinc/98/13/98/561981398.db2.gz OMDLVUGUASZVGG-IZZNHLLZSA-N 0 0 612.139 4.960 1 0 KJAFRN CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028951341 561981573 /nfs/dbraw/zinc/98/15/73/561981573.db2.gz PGDUTGKQCZHTOQ-QKDODKLFSA-N 0 0 589.680 4.578 1 0 KJAFRN CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C(N)=O ZINC000028951343 561981587 /nfs/dbraw/zinc/98/15/87/561981587.db2.gz HEGJAZYCYSXFNG-KCHLEUMXSA-N 0 0 603.707 4.968 1 0 KJAFRN CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N(C)C ZINC000028951357 561981595 /nfs/dbraw/zinc/98/15/95/561981595.db2.gz PBMBZWVYQNRAFX-SDHOMARFSA-N 0 0 601.757 4.691 1 0 KJAFRN COC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F ZINC000028951366 561981713 /nfs/dbraw/zinc/98/17/13/561981713.db2.gz WWEDKOLRRSGJDB-HJOGWXRNSA-N 0 0 588.714 4.776 1 0 KJAFRN CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000028951375 561981692 /nfs/dbraw/zinc/98/16/92/561981692.db2.gz PGDUTGKQCZHTOQ-PVHODMMVSA-N 0 0 589.680 4.578 1 0 KJAFRN COc1cccc(NC(=O)C(C(=O)Nc2cccc(OC)c2)c2ccc(C(=O)Nc3ccccc3N)cc2)c1 ZINC000028951636 561981634 /nfs/dbraw/zinc/98/16/34/561981634.db2.gz UCROQQNWTRDJCY-UHFFFAOYSA-N 0 0 524.577 4.899 1 0 KJAFRN COc1ccccc1NC(=O)C(C(=O)Nc1ccccc1OC)c1ccc(C(=O)Nc2ccccc2N)cc1 ZINC000028951638 561981788 /nfs/dbraw/zinc/98/17/88/561981788.db2.gz YHQHZLHXTCZIMX-UHFFFAOYSA-N 0 0 524.577 4.899 1 0 KJAFRN Nc1ccccc1NC(=O)c1ccc(C(C(=O)Nc2cccc(N3CCOCC3)c2)C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000028951642 561981835 /nfs/dbraw/zinc/98/18/35/561981835.db2.gz RBRVAPYZVJKIJI-UHFFFAOYSA-N 0 0 634.737 4.555 1 0 KJAFRN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(NCCCn2ccnc2)c1 ZINC000028951811 561981795 /nfs/dbraw/zinc/98/17/95/561981795.db2.gz NRCYJQOXMJLQTP-UHFFFAOYSA-N 0 0 506.513 4.966 1 0 KJAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C1=O ZINC000028952535 561982075 /nfs/dbraw/zinc/98/20/75/561982075.db2.gz GZDMXXRDODPGGU-BVAGGSTKSA-N 0 0 518.658 4.806 1 0 KJAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000028952615 561982064 /nfs/dbraw/zinc/98/20/64/561982064.db2.gz RJFVNLNZDFCSRA-WMVJUQKESA-N 0 0 574.725 4.887 1 0 KJAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O ZINC000028952736 561982186 /nfs/dbraw/zinc/98/21/86/561982186.db2.gz JDORNNHHHQXMCA-NHCUHLMSSA-N 0 0 549.590 4.894 1 0 KJAFRN CC(C)N1c2ccccc2CC[C@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O ZINC000028952738 561982257 /nfs/dbraw/zinc/98/22/57/561982257.db2.gz JDORNNHHHQXMCA-LEWJYISDSA-N 0 0 549.590 4.894 1 0 KJAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O ZINC000028952741 561982239 /nfs/dbraw/zinc/98/22/39/561982239.db2.gz JDORNNHHHQXMCA-RTWAWAEBSA-N 0 0 549.590 4.894 1 0 KJAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cc(N3CC(O)C3)ncn2)cc1 ZINC000028952856 561982235 /nfs/dbraw/zinc/98/22/35/561982235.db2.gz XYVTWHSXDVNVIP-UHFFFAOYSA-N 0 0 530.507 4.935 1 0 KJAFRN O=C(Nc1nc(-c2cccc(OC(F)(F)F)c2F)cs1)c1ccc(Nc2cc(N3CC(O)C3)ncn2)cc1 ZINC000028952858 561982231 /nfs/dbraw/zinc/98/22/31/561982231.db2.gz OYHVOAKJIIMVSU-UHFFFAOYSA-N 0 0 546.506 4.815 1 0 KJAFRN O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)ns1)c1ccc(Nc2cc(NCCO)ncn2)cc1 ZINC000028953199 561982172 /nfs/dbraw/zinc/98/21/72/561982172.db2.gz ZQQCWYBWBQMAOD-UHFFFAOYSA-N 0 0 519.484 4.553 1 0 KJAFRN CN(CCO)c1cc(Nc2ccc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)ns3)cc2)ncn1 ZINC000028953204 561982353 /nfs/dbraw/zinc/98/23/53/561982353.db2.gz ZMFMWVFNCBQMKL-UHFFFAOYSA-N 0 0 533.511 4.577 1 0 KJAFRN O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)ns1)c1ccc(Nc2cc(N(CCCO)CCCO)ncn2)cc1 ZINC000028953224 561982338 /nfs/dbraw/zinc/98/23/38/561982338.db2.gz YLSRHVNTCSEDDC-UHFFFAOYSA-N 0 0 591.591 4.720 1 0 KJAFRN COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O ZINC000028954141 561982976 /nfs/dbraw/zinc/98/29/76/561982976.db2.gz MPXATDUZWYDONN-SVBPBHIXSA-N 0 0 530.570 4.869 1 0 KJAFRN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)NCCc2ccncc2)ccn1 ZINC000028954710 561982857 /nfs/dbraw/zinc/98/28/57/561982857.db2.gz JBPPWJQAFFNTHJ-UHFFFAOYSA-N 0 0 510.638 4.934 1 0 KJAFRN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)NCCCn2ccnc2)ccn1 ZINC000028954713 561982969 /nfs/dbraw/zinc/98/29/69/561982969.db2.gz QUWBNMYILIJKRQ-UHFFFAOYSA-N 0 0 513.642 4.584 1 0 KJAFRN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cncc(C(=O)NCCc2ccncc2)c1 ZINC000028954751 561982981 /nfs/dbraw/zinc/98/29/81/561982981.db2.gz PBAQWBCTWPMCBU-UHFFFAOYSA-N 0 0 510.638 4.934 1 0 KJAFRN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cncc(C(=O)NCCCn2ccnc2)c1 ZINC000028954754 561982982 /nfs/dbraw/zinc/98/29/82/561982982.db2.gz APWXLRMFNDETFR-UHFFFAOYSA-N 0 0 513.642 4.584 1 0 KJAFRN CNC(=O)c1cc(C(F)(F)F)cc(C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl ZINC000028956899 561983192 /nfs/dbraw/zinc/98/31/92/561983192.db2.gz HOHDREAFZFNJEI-UHFFFAOYSA-N 0 0 505.806 4.879 1 0 KJAFRN CSCC[C@H]([NH2+]Cc1cccc(NC(=O)C[C@H]2COc3ncccc3O2)c1-c1ccccc1C)C(=O)[O-] ZINC000028957515 561983260 /nfs/dbraw/zinc/98/32/60/561983260.db2.gz QOUBAWNCYGTVHP-REWPJTCUSA-N 0 0 521.639 4.522 1 0 KJAFRN CSCC[C@@H]([NH2+]Cc1cccc(NC(=O)C[C@@H]2COc3ncccc3O2)c1-c1ccccc1C)C(=O)[O-] ZINC000028957517 561983262 /nfs/dbraw/zinc/98/32/62/561983262.db2.gz QOUBAWNCYGTVHP-NFBKMPQASA-N 0 0 521.639 4.522 1 0 KJAFRN CSCC[C@@H]([NH2+]Cc1cccc(NC(=O)C[C@H]2COc3ncccc3O2)c1-c1ccccc1C)C(=O)[O-] ZINC000028957519 561983314 /nfs/dbraw/zinc/98/33/14/561983314.db2.gz QOUBAWNCYGTVHP-NZQKXSOJSA-N 0 0 521.639 4.522 1 0 KJAFRN CSCC[C@H]([NH2+]Cc1cccc(NC(=O)C[C@@H]2COc3ncccc3O2)c1-c1ccccc1C)C(=O)[O-] ZINC000028957521 561983290 /nfs/dbraw/zinc/98/32/90/561983290.db2.gz QOUBAWNCYGTVHP-OFNKIYASSA-N 0 0 521.639 4.522 1 0 KJAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)C(C)(C)C)C1=O ZINC000028958006 561983425 /nfs/dbraw/zinc/98/34/25/561983425.db2.gz KWKDNJGPUXGBEA-NHCUHLMSSA-N 0 0 533.591 4.531 1 0 KJAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccccc2)C1=O ZINC000028958043 561983584 /nfs/dbraw/zinc/98/35/84/561983584.db2.gz OSUHJGMKEMLVOD-DNQXCXABSA-N 0 0 553.581 4.799 1 0 KJAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccc(F)cc2)C1=O ZINC000028958048 561983516 /nfs/dbraw/zinc/98/35/16/561983516.db2.gz RLLJWXZHALMEFQ-DNQXCXABSA-N 0 0 571.571 4.938 1 0 KJAFRN C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(OCOC(=O)OC1CCCCC1)OCOC(=O)OC1CCCCC1 ZINC000028958204 561983674 /nfs/dbraw/zinc/98/36/74/561983674.db2.gz VHXOJQFVZBPJSA-GOSISDBHSA-N 0 0 599.578 4.884 1 0 KJAFRN C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(OCOC(=O)OCc1ccccc1)OCOC(=O)OCc1ccccc1 ZINC000028958216 561983702 /nfs/dbraw/zinc/98/37/02/561983702.db2.gz JMKKNNDMTUIYNX-HXUWFJFHSA-N 0 0 615.536 4.619 1 0 KJAFRN CS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(=O)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1 ZINC000028959492 561983742 /nfs/dbraw/zinc/98/37/42/561983742.db2.gz OCTOPOAZOCYOEW-UHFFFAOYSA-N 0 0 595.559 4.918 1 0 KJAFRN CS(=O)(=O)c1ccccc1-c1ccc2c(c1)[C@H](O)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1 ZINC000028959495 561983788 /nfs/dbraw/zinc/98/37/88/561983788.db2.gz ZXZABNZWYVFDLE-JOCHJYFZSA-N 0 0 597.575 4.769 1 0 KJAFRN CS(=O)(=O)c1ccccc1-c1ccc2c(c1)[C@@H](O)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1 ZINC000028959498 561983777 /nfs/dbraw/zinc/98/37/77/561983777.db2.gz ZXZABNZWYVFDLE-QFIPXVFZSA-N 0 0 597.575 4.769 1 0 KJAFRN CS(=O)(=O)c1ccccc1-c1ccc2c(c1)OCCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1 ZINC000028959501 561983757 /nfs/dbraw/zinc/98/37/57/561983757.db2.gz BCVQZCGMASZWQZ-UHFFFAOYSA-N 0 0 583.548 4.724 1 0 KJAFRN CO[C@@H]1C[C@]2(C)[C@@H](C[C@]3(O)C=C4C=CC(=O)OC(C)(C)[C@@H]4CC[C@H]32)C2=C1[C@H](C)[C@@H]1OC(=O)C(C)=C[C@@H]1C2 ZINC000028964459 561984783 /nfs/dbraw/zinc/98/47/83/561984783.db2.gz CFDFOUVGATVVRB-WFWCNBNTSA-N 0 0 508.655 4.831 1 0 KJAFRN CO[C@H]1C[C@]2(C)[C@@H](C[C@]3(O)C=C4C=CC(=O)OC(C)(C)[C@@H]4CC[C@H]32)C2=C1[C@H](C)[C@@H]1OC(=O)C(C)=C[C@@H]1C2 ZINC000028964471 561984801 /nfs/dbraw/zinc/98/48/01/561984801.db2.gz CFDFOUVGATVVRB-ZOLPLMAJSA-N 0 0 508.655 4.831 1 0 KJAFRN NC(=O)CN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1)C1CC1 ZINC000028965112 561984809 /nfs/dbraw/zinc/98/48/09/561984809.db2.gz XCEXVKUAXLXVKS-PMERELPUSA-N 0 0 635.592 4.664 1 0 KJAFRN NC(=O)CN(C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1)C1CC1 ZINC000028965118 561984802 /nfs/dbraw/zinc/98/48/02/561984802.db2.gz XCEXVKUAXLXVKS-SSEXGKCCSA-N 0 0 635.592 4.664 1 0 KJAFRN NC(=O)CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965134 561984806 /nfs/dbraw/zinc/98/48/06/561984806.db2.gz LDTMVMCGYNZNOI-NYDCQLBNSA-N 0 0 679.645 4.681 1 0 KJAFRN NC(=O)CN(C[C@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965140 561984795 /nfs/dbraw/zinc/98/47/95/561984795.db2.gz LDTMVMCGYNZNOI-PPTMTGTBSA-N 0 0 679.645 4.681 1 0 KJAFRN NC(=O)CN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965146 561984789 /nfs/dbraw/zinc/98/47/89/561984789.db2.gz LDTMVMCGYNZNOI-BHDXBOSCSA-N 0 0 679.645 4.681 1 0 KJAFRN NC(=O)CN(C[C@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965151 561984805 /nfs/dbraw/zinc/98/48/05/561984805.db2.gz LDTMVMCGYNZNOI-QLWXXVCSSA-N 0 0 679.645 4.681 1 0 KJAFRN CC(C)(C)OC(=O)Nc1ccc(C(=O)Oc2cc(C3Oc4cc(O)cc(O)c4C(=O)C3=O)ccc2O)cc1 ZINC000028966341 561985190 /nfs/dbraw/zinc/98/51/90/561985190.db2.gz YYTUAOMKIJQQND-UHFFFAOYSA-N 0 0 521.478 4.849 1 0 KJAFRN Cc1ccc(S(=O)(=O)CN(CS(=O)(=O)c2ccc(C)cc2)c2ccc(Br)cc2F)cc1 ZINC000028968339 561985480 /nfs/dbraw/zinc/98/54/80/561985480.db2.gz VNMROWQGCZJZHB-UHFFFAOYSA-N 0 0 526.449 4.874 1 0 KJAFRN COc1cc(OC)c2c(O)c3c(c(-c4c5cc(O)cc(OC)c5c(O)c5c4[C@H](O)[C@H](C)OC5)c2c1)[C@H](O)[C@H](C)OC3 ZINC000028969704 561985609 /nfs/dbraw/zinc/98/56/09/561985609.db2.gz AAAGKEAEOHPDBS-SAAODOGCSA-N 0 0 564.587 4.707 1 0 KJAFRN COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc(OC)c5c(O)c6c(cc54)[C@H](O)[C@H](C)OC6)c2c1)[C@H](O)[C@H](C)OC3 ZINC000028969714 561985634 /nfs/dbraw/zinc/98/56/34/561985634.db2.gz SCANZLMQCZBPCM-SAAODOGCSA-N 0 0 564.587 4.707 1 0 KJAFRN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000028973228 561986229 /nfs/dbraw/zinc/98/62/29/561986229.db2.gz JYRYYCUMPHRVAO-WJOKGBTCSA-N 0 0 573.657 4.920 1 0 KJAFRN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc32)cc1 ZINC000028973233 561986237 /nfs/dbraw/zinc/98/62/37/561986237.db2.gz RXWYXIKVXDFMJE-SSEXGKCCSA-N 0 0 543.631 4.911 1 0 KJAFRN COc1ccc(-n2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000028973251 561986210 /nfs/dbraw/zinc/98/62/10/561986210.db2.gz UIPDZKIOCYVWBM-SSEXGKCCSA-N 0 0 559.630 4.860 1 0 KJAFRN C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 ZINC000028975188 561986454 /nfs/dbraw/zinc/98/64/54/561986454.db2.gz CKOAURGENMZQGG-OAQYLSRUSA-N 0 0 564.082 4.924 1 0 KJAFRN CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976106 561986764 /nfs/dbraw/zinc/98/67/64/561986764.db2.gz YWMGGEBUJDQATE-LJQANCHMSA-N 0 0 569.511 4.815 1 0 KJAFRN C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976123 561986784 /nfs/dbraw/zinc/98/67/84/561986784.db2.gz HKLRXCRZQQZDET-MRXNPFEDSA-N 0 0 529.421 4.729 1 0 KJAFRN CCN1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976393 561986879 /nfs/dbraw/zinc/98/68/79/561986879.db2.gz LXCCZVGMQZVCOU-MUUNZHRXSA-N 0 0 527.694 4.731 1 0 KJAFRN CCN1CCN([C@H](C(=O)NCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976397 561986895 /nfs/dbraw/zinc/98/68/95/561986895.db2.gz LXCCZVGMQZVCOU-NDEPHWFRSA-N 0 0 527.694 4.731 1 0 KJAFRN COc1ccc(NC(=O)[C@H](c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)N2CCN(C)CC2)cc1 ZINC000028976473 561986904 /nfs/dbraw/zinc/98/69/04/561986904.db2.gz SMKWGXGIKHTYGN-MHZLTWQESA-N 0 0 529.666 4.672 1 0 KJAFRN COc1ccc(NC(=O)[C@@H](c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)N2CCN(C)CC2)cc1 ZINC000028976478 561987006 /nfs/dbraw/zinc/98/70/06/561987006.db2.gz SMKWGXGIKHTYGN-HHHXNRCGSA-N 0 0 529.666 4.672 1 0 KJAFRN Cc1ccc(NC(=O)[C@@H](c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)N2CCN(C)CC2)cc1 ZINC000028976482 561987030 /nfs/dbraw/zinc/98/70/30/561987030.db2.gz XJWPRLPNSVKOEW-HHHXNRCGSA-N 0 0 513.667 4.971 1 0 KJAFRN Cc1ccc(NC(=O)[C@H](c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)N2CCN(C)CC2)cc1 ZINC000028976486 561987012 /nfs/dbraw/zinc/98/70/12/561987012.db2.gz XJWPRLPNSVKOEW-MHZLTWQESA-N 0 0 513.667 4.971 1 0 KJAFRN COc1ccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1 ZINC000028976503 561986994 /nfs/dbraw/zinc/98/69/94/561986994.db2.gz PPUJGRJDJPQJPZ-NDEPHWFRSA-N 0 0 508.578 4.568 1 0 KJAFRN COc1ccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1 ZINC000028976509 561987026 /nfs/dbraw/zinc/98/70/26/561987026.db2.gz PPUJGRJDJPQJPZ-MUUNZHRXSA-N 0 0 508.578 4.568 1 0 KJAFRN COc1ccc(NC(=O)[C@@H](NC(=O)CCc2ccccc2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1 ZINC000028976537 561987019 /nfs/dbraw/zinc/98/70/19/561987019.db2.gz PJVYOAIVTBAVMQ-LJAQVGFWSA-N 0 0 522.605 4.959 1 0 KJAFRN COc1ccc(NC(=O)[C@H](NC(=O)CCc2ccccc2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1 ZINC000028976542 561987001 /nfs/dbraw/zinc/98/70/01/561987001.db2.gz PJVYOAIVTBAVMQ-GDLZYMKVSA-N 0 0 522.605 4.959 1 0 KJAFRN C[C@H](CCCNC(=O)[C@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978002 561987558 /nfs/dbraw/zinc/98/75/58/561987558.db2.gz NYGIJFDXYBHSLD-IQGLISFBSA-N 0 0 551.492 4.700 1 0 KJAFRN C[C@H](CCCNC(=O)[C@@H](O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978015 561987528 /nfs/dbraw/zinc/98/75/28/561987528.db2.gz NYGIJFDXYBHSLD-CJAUYULYSA-N 0 0 551.492 4.700 1 0 KJAFRN C[C@H](CCCNS(=O)(=O)c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978059 561987564 /nfs/dbraw/zinc/98/75/64/561987564.db2.gz SJEAKHBMSBHZKE-GOSISDBHSA-N 0 0 557.521 4.828 1 0 KJAFRN Cc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(C)c1OS(=O)(=O)c1ccccc1 ZINC000028979065 561988030 /nfs/dbraw/zinc/98/80/30/561988030.db2.gz YTFOPCGCEZSDBO-YTTGMZPUSA-N 0 0 655.773 4.893 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000028979069 561988184 /nfs/dbraw/zinc/98/81/84/561988184.db2.gz XMTBQLRXCPOAJN-YTTGMZPUSA-N 0 0 641.746 4.585 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)cc2)cc1 ZINC000028979073 561988180 /nfs/dbraw/zinc/98/81/80/561988180.db2.gz JJIURMXFVOFAQK-CMVGPNDKSA-N 0 0 655.773 4.973 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N3CCN(C(=O)c4ccccc4)[C@H](C)C3)cc2)cc1 ZINC000028979078 561988190 /nfs/dbraw/zinc/98/81/90/561988190.db2.gz JJIURMXFVOFAQK-SYBRLPANSA-N 0 0 655.773 4.973 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N3CCN(C(=O)c4ccccc4)C[C@@H]3C)cc2)cc1 ZINC000028979083 561988188 /nfs/dbraw/zinc/98/81/88/561988188.db2.gz JNUJCFHMAUGHCR-CMVGPNDKSA-N 0 0 655.773 4.973 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)N(C)C(=O)OCc3ccccc3)cc2)cc1 ZINC000028979087 561988196 /nfs/dbraw/zinc/98/81/96/561988196.db2.gz ZJOPJEMIJUAIKL-XIFFEERXSA-N 0 0 655.773 4.927 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cc2)cc1 ZINC000028979110 561988171 /nfs/dbraw/zinc/98/81/71/561988171.db2.gz CZGZKKHZQCOYBP-UMSFTDKQSA-N 0 0 684.815 4.651 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)cc1 ZINC000028979119 561988185 /nfs/dbraw/zinc/98/81/85/561988185.db2.gz HVZWUFQIJLUSFN-YTTGMZPUSA-N 0 0 659.736 4.724 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)NC(=O)OCc2ccccc2)CC1 ZINC000028979198 561988191 /nfs/dbraw/zinc/98/81/91/561988191.db2.gz BOMFPGRRSGKIET-NDEPHWFRSA-N 0 0 641.718 4.510 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC000028979221 561988168 /nfs/dbraw/zinc/98/81/68/561988168.db2.gz KHDJEDOWASHAML-LJAQVGFWSA-N 0 0 637.755 4.680 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC000028979225 561988162 /nfs/dbraw/zinc/98/81/62/561988162.db2.gz KHDJEDOWASHAML-GDLZYMKVSA-N 0 0 637.755 4.680 1 0 KJAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000028979410 561988173 /nfs/dbraw/zinc/98/81/73/561988173.db2.gz CADWTJXIMYKCPI-XMMPIXPASA-N 0 0 573.067 4.787 1 0 KJAFRN CC(C)Oc1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979674 561988223 /nfs/dbraw/zinc/98/82/23/561988223.db2.gz YPWKZNGPZDIFTD-CMQXMCPJSA-N 0 0 518.060 4.946 1 0 KJAFRN CC(C)Oc1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979679 561988269 /nfs/dbraw/zinc/98/82/69/561988269.db2.gz YPWKZNGPZDIFTD-PKHIPVCBSA-N 0 0 518.060 4.946 1 0 KJAFRN CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCN2C(=O)[C@@H]1C=C(C(F)(F)F)NN1c1ccc2onc(N)c2c1 ZINC000029037653 561988559 /nfs/dbraw/zinc/98/85/59/561988559.db2.gz VKRACHJQVNYUOY-NRFANRHFSA-N 0 0 569.565 4.567 1 0 KJAFRN CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCN2C(=O)[C@H]1C=C(C(F)(F)F)NN1c1ccc2onc(N)c2c1 ZINC000029037654 561988514 /nfs/dbraw/zinc/98/85/14/561988514.db2.gz VKRACHJQVNYUOY-OAQYLSRUSA-N 0 0 569.565 4.567 1 0 KJAFRN C[C@@H](C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000029037667 561988750 /nfs/dbraw/zinc/98/87/50/561988750.db2.gz RQUCFXKPNVVHSF-CQSZACIVSA-N 0 0 555.538 4.915 1 0 KJAFRN C[C@H](C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000029037669 561988675 /nfs/dbraw/zinc/98/86/75/561988675.db2.gz RQUCFXKPNVVHSF-AWEZNQCLSA-N 0 0 555.538 4.915 1 0 KJAFRN COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1 ZINC000029037700 561988701 /nfs/dbraw/zinc/98/87/01/561988701.db2.gz PXUONXFJABOVSQ-UHFFFAOYSA-N 0 0 515.513 4.640 1 0 KJAFRN COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1 ZINC000029037702 561988672 /nfs/dbraw/zinc/98/86/72/561988672.db2.gz OJRDXFSQWLVJDP-UHFFFAOYSA-N 0 0 533.503 4.779 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2C)CC1 ZINC000029038280 561988775 /nfs/dbraw/zinc/98/87/75/561988775.db2.gz WAIWXFGIIWQVMF-UHFFFAOYSA-N 0 0 532.489 4.808 1 0 KJAFRN CN1CCN(C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1 ZINC000029038477 561988975 /nfs/dbraw/zinc/98/89/75/561988975.db2.gz PGMBZYQXLLHNGP-SLYFCEBRSA-N 0 0 642.744 4.679 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccccn1 ZINC000029038513 561988998 /nfs/dbraw/zinc/98/89/98/561988998.db2.gz SBSLLEGJFJKURX-FNTSRBGKSA-N 0 0 553.684 4.528 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000029038521 561988977 /nfs/dbraw/zinc/98/89/77/561988977.db2.gz DHMNLJBLBOCAEK-KOUGTPQRSA-N 0 0 610.732 4.904 1 0 KJAFRN CCCC1(O)CCN(C(=O)CC2([C@H]3CCC[C@@H](CC)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000029038539 561988970 /nfs/dbraw/zinc/98/89/70/561988970.db2.gz AKVYSQCDHUSFGD-FYYLOGMGSA-N 0 0 511.128 4.986 1 0 KJAFRN Cc1cccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)c1 ZINC000029038542 561988986 /nfs/dbraw/zinc/98/89/86/561988986.db2.gz WWNYIOFVYVOOKY-SDMVRKAVSA-N 0 0 567.711 4.836 1 0 KJAFRN Cc1ccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1 ZINC000029038567 561989088 /nfs/dbraw/zinc/98/90/88/561989088.db2.gz RHSVFFVOKGHXKZ-TXJCICEVSA-N 0 0 567.711 4.836 1 0 KJAFRN O=S(=O)(c1ccc(Cl)cc1)N1[C@@H](C2(Cc3noc(CN4CCCC4)n3)CC2)CCC[C@H]1C1CC1 ZINC000029038650 561989090 /nfs/dbraw/zinc/98/90/90/561989090.db2.gz GMGMXDBCSMRQME-FCHUYYIVSA-N 0 0 505.084 4.664 1 0 KJAFRN O=S(=O)(c1ccc(Cl)cc1)N1[C@@H](C2(Cc3nc(CN4CCCC4)no3)CC2)CCC[C@H]1C1CC1 ZINC000029038676 561989120 /nfs/dbraw/zinc/98/91/20/561989120.db2.gz XHAUDRHLRBFHDL-FCHUYYIVSA-N 0 0 505.084 4.664 1 0 KJAFRN CC(C)[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](C(C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000029038801 561989367 /nfs/dbraw/zinc/98/93/67/561989367.db2.gz LUOLBKPMSHODHB-PMACEKPBSA-N 0 0 600.548 4.850 1 0 KJAFRN CC(=O)NCCCC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](C(C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000029038808 561989285 /nfs/dbraw/zinc/98/92/85/561989285.db2.gz PFVNSAOEYRZCFX-HJPURHCSSA-N 0 0 671.627 4.501 1 0 KJAFRN COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC ZINC000029039093 561989526 /nfs/dbraw/zinc/98/95/26/561989526.db2.gz CVIKEWAIJWFFBW-UHFFFAOYSA-N 0 0 529.633 4.989 1 0 KJAFRN CC(C)n1c(CNC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)OC(C)(C)C)nc2cccnc21 ZINC000029039453 561989829 /nfs/dbraw/zinc/98/98/29/561989829.db2.gz CEFNWLPVCAUQGI-LJQANCHMSA-N 0 0 505.541 4.783 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1C(C)(C)C ZINC000029039469 561989854 /nfs/dbraw/zinc/98/98/54/561989854.db2.gz RUULCSBTQAZBOI-LJQANCHMSA-N 0 0 519.568 4.957 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1CC(F)(F)F ZINC000029039475 561989845 /nfs/dbraw/zinc/98/98/45/561989845.db2.gz RGEPJDFLOZNYEV-QGZVFWFLSA-N 0 0 545.484 4.765 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1CC1CC1 ZINC000029039484 561989840 /nfs/dbraw/zinc/98/98/40/561989840.db2.gz UONIUQQOOBARAF-HXUWFJFHSA-N 0 0 517.552 4.612 1 0 KJAFRN CC(C)(C)C(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1Cc1ccccc1 ZINC000029039506 561989861 /nfs/dbraw/zinc/98/98/61/561989861.db2.gz WKFPMXWZIKXFBC-HSZRJFAPSA-N 0 0 537.586 4.888 1 0 KJAFRN CC1(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(=O)NCc2nc3cccnc3n2Cc2ccccc2)CC1 ZINC000029039516 561989965 /nfs/dbraw/zinc/98/99/65/561989965.db2.gz OORZXSHHGQHRHM-HSZRJFAPSA-N 0 0 535.570 4.642 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cccnc2n1C1(c2ccccc2)CC1 ZINC000029039523 561989954 /nfs/dbraw/zinc/98/99/54/561989954.db2.gz ZIBFWTNGDIVMTK-XMMPIXPASA-N 0 0 511.626 4.721 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1F)C(=O)NCc1nc2cccnc2n1C1(c2ccccc2)CC1 ZINC000029039525 561989939 /nfs/dbraw/zinc/98/99/39/561989939.db2.gz LGAIRKZXPYNIQE-XMMPIXPASA-N 0 0 529.616 4.860 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1cc(F)ccc1F)C(=O)NCc1nc2cccnc2n1C1(c2ccccc2)CC1 ZINC000029039535 561989934 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561990657 /nfs/dbraw/zinc/99/06/57/561990657.db2.gz HEGQFLXCXVPNJB-FGZHOGPDSA-N 0 0 578.607 4.572 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O ZINC000029040469 561990659 /nfs/dbraw/zinc/99/06/59/561990659.db2.gz RBLWSRSMZMCJNO-FGZHOGPDSA-N 0 0 578.607 4.572 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O ZINC000029040471 561990666 /nfs/dbraw/zinc/99/06/66/561990666.db2.gz IHGLQJAFQRVZAT-FGZHOGPDSA-N 0 0 578.607 4.572 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)cc1F)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O ZINC000029040473 561990690 /nfs/dbraw/zinc/99/06/90/561990690.db2.gz FWUGXGAGXFYROY-FGZHOGPDSA-N 0 0 596.597 4.711 1 0 KJAFRN CC(C)N1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)OC(C)(C)C)C1=O ZINC000029040512 561990653 /nfs/dbraw/zinc/99/06/53/561990653.db2.gz PKXNOMQKFVMHAW-DNQXCXABSA-N 0 0 556.654 4.557 1 0 KJAFRN 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CC(=O)SCCOP(=O)(OCCSC(C)=O)c1ccc(-c2nc(N)sc2CC(C)C)o1 ZINC000029055316 561994843 /nfs/dbraw/zinc/99/48/43/561994843.db2.gz QLRRQSYKJAZZAR-UHFFFAOYSA-N 0 0 506.608 4.595 1 0 KJAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)c4cccc(Cl)c4)cnc3OC(C)(C)[C@H]2O)cc1 ZINC000029055610 561994971 /nfs/dbraw/zinc/99/49/71/561994971.db2.gz UWIKMDJODNGSRE-RPWUZVMVSA-N 0 0 544.073 4.516 1 0 KJAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4c(F)cccc4Cl)cnc3OC(C)(C)[C@H]2O)cc1 ZINC000029055824 561994995 /nfs/dbraw/zinc/99/49/95/561994995.db2.gz LBTAKABHVZECMY-RPBOFIJWSA-N 0 0 576.090 4.650 1 0 KJAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCC[C@H]4CNc4c(C)cccc4C)cnc3OC(C)(C)[C@H]2O)cc1 ZINC000029056472 561995109 /nfs/dbraw/zinc/99/51/09/561995109.db2.gz JREYJYOGJXQLOO-DOUMQJFESA-N 0 0 592.762 4.529 1 0 KJAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4ccc(Br)cc4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000029056559 561995082 /nfs/dbraw/zinc/99/50/82/561995082.db2.gz QEJFGURHLXWELC-RPWUZVMVSA-N 0 0 559.482 4.815 1 0 KJAFRN 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1 0 KJAFRN O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5cccc(F)c54)CC3)ccc2o1 ZINC000029211863 562005783 /nfs/dbraw/zinc/00/57/83/562005783.db2.gz MGOLTKVLJUZLJV-UHFFFAOYSA-N 0 0 626.563 4.830 1 0 KJAFRN O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccc(F)cc54)CC3)ccc2o1 ZINC000029211970 562005833 /nfs/dbraw/zinc/00/58/33/562005833.db2.gz NYMPFDCNGNXBHO-UHFFFAOYSA-N 0 0 626.563 4.830 1 0 KJAFRN O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5cc(F)ccc54)CC3)ccc2o1 ZINC000029211976 562005969 /nfs/dbraw/zinc/00/59/69/562005969.db2.gz PAPBDNSSFFZIEH-UHFFFAOYSA-N 0 0 626.563 4.830 1 0 KJAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000029212861 562005988 /nfs/dbraw/zinc/00/59/88/562005988.db2.gz NUVTUVJMRGASLG-DQSBFYQYSA-N 0 0 681.921 4.650 1 0 KJAFRN O=C(Cn1ccc2ccccc2c1=O)NCc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2o1 ZINC000029212953 562006062 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562032799 /nfs/dbraw/zinc/03/27/99/562032799.db2.gz QXVZZAYKOVFWPX-JCGRVDTESA-N 0 0 515.739 4.793 1 0 KJAFRN Cn1cc(Cc2cn(CCCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000029560282 562032901 /nfs/dbraw/zinc/03/29/01/562032901.db2.gz DMGXDLAAACKZRH-UHFFFAOYSA-N 0 0 595.144 4.781 1 0 KJAFRN COc1ncc(Cc2cn(CCCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000029560596 562033044 /nfs/dbraw/zinc/03/30/44/562033044.db2.gz GBDVYZGEBLWFQF-UHFFFAOYSA-N 0 0 623.154 4.847 1 0 KJAFRN CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)Cc1ccccc1 ZINC000029560730 562033066 /nfs/dbraw/zinc/03/30/66/562033066.db2.gz JKLUBQRRYDQSHG-NSOVKSMOSA-N 0 0 505.703 4.874 1 0 KJAFRN CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](OC)c1ccccc1 ZINC000029561355 562033219 /nfs/dbraw/zinc/03/32/19/562033219.db2.gz SYQQAGBIFCBQIX-GSDHBNRESA-N 0 0 501.712 4.619 1 0 KJAFRN Cn1cc(Cc2cn(CCCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c(SCc3ccc(F)cc3)nc2=O)cnc1=O ZINC000029561590 562033305 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COc1ccc(S(=O)(=O)CCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029565325 562034172 /nfs/dbraw/zinc/03/41/72/562034172.db2.gz CCSWNGVBNNCZEV-UHFFFAOYSA-N 0 0 536.673 4.973 1 0 KJAFRN CS(=O)(=O)c1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566144 562034486 /nfs/dbraw/zinc/03/44/86/562034486.db2.gz YQXPAWMOQDYRJB-UHFFFAOYSA-N 0 0 506.647 4.746 1 0 KJAFRN COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 ZINC000029567669 562034733 /nfs/dbraw/zinc/03/47/33/562034733.db2.gz IEJRYJFWTCKXSD-CLJLJLNGSA-N 0 0 556.663 4.755 1 0 KJAFRN O=S(=O)(N[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)c2ccccc21)c1ccc(F)cc1 ZINC000029568553 562034906 /nfs/dbraw/zinc/03/49/06/562034906.db2.gz WAVNYDQCLSMZEP-MHZLTWQESA-N 0 0 555.626 4.669 1 0 KJAFRN O=S(=O)(N[C@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)c2ccccc21)c1ccc(F)cc1 ZINC000029568557 562034889 /nfs/dbraw/zinc/03/48/89/562034889.db2.gz WAVNYDQCLSMZEP-HHHXNRCGSA-N 0 0 555.626 4.669 1 0 KJAFRN 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4.654 1 0 KJAFRN OC[C@H]1O[C@@H](n2c3cc(Cl)c(Cl)cc3nc2SCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H]1O ZINC000032138362 562036943 /nfs/dbraw/zinc/03/69/43/562036943.db2.gz CBGLACJIVKRQCH-BRSBDYLESA-N 0 0 510.226 4.554 1 0 KJAFRN COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C3)OCO2 ZINC000033488059 560089067 /nfs/dbraw/zinc/08/90/67/560089067.db2.gz PGEJVRVFUGSAJF-UKWNVXQBSA-N 0 0 520.534 4.670 1 0 biogenic,in-vitro KJAFRN CO[C@H]1C[C@H](C)Cc2cc(O)cc(c2)NC(=O)/C(C)=C/CC[C@H](C)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O ZINC000033969094 562037848 /nfs/dbraw/zinc/03/78/48/562037848.db2.gz RMHMHRXSAMJROO-HZZPTFRUSA-N 0 0 502.652 4.698 1 0 in-vitro KJAFRN COc1ccc(C(OCC[N@@H+]2CCC[C@@H]2CC(=O)[O-])(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000033974051 562037858 /nfs/dbraw/zinc/03/78/58/562037858.db2.gz LVXQSLPHTYSBIW-RUZDIDTESA-N 0 0 505.611 4.960 1 0 in-vitro KJAFRN COc1ccc(CCCCOC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000033974350 562038023 /nfs/dbraw/zinc/03/80/23/562038023.db2.gz QGNPZOFKSDNOHW-RDPSFJRHSA-N 0 0 513.631 4.772 1 0 KJAFRN COc1ccc(CCCCOC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000033974351 562038036 /nfs/dbraw/zinc/03/80/36/562038036.db2.gz QGNPZOFKSDNOHW-YKSBVNFPSA-N 0 0 513.631 4.772 1 0 KJAFRN COc1cccc(C(=O)Nc2ccc3c(c2)[C@@H](NS(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@H](O)CC3)c1 ZINC000034001808 562037937 /nfs/dbraw/zinc/03/79/37/562037937.db2.gz DZLOLQBOFITCTA-CLJLJLNGSA-N 0 0 508.640 4.572 1 0 KJAFRN COCCCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1 ZINC000034059988 562038127 /nfs/dbraw/zinc/03/81/27/562038127.db2.gz PVARYTONZNVPEA-UHFFFAOYSA-N 0 0 504.250 4.951 1 0 KJAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(c5nccn5C)CC4)cc2)CC3)cc1 ZINC000034060094 562038274 /nfs/dbraw/zinc/03/82/74/562038274.db2.gz SMNJEVZJJDXSND-UHFFFAOYSA-N 0 0 507.516 4.916 1 0 KJAFRN COC[C@H]1N=C(c2cc(OC)c(OC)c(OC)c2-c2cc3c(cc2[C@@H](C)O)OCO3)O[C@H]1c1ccccc1 ZINC000034171916 562038340 /nfs/dbraw/zinc/03/83/40/562038340.db2.gz YVGDTYBGILBISN-JEIUEKOBSA-N 0 0 521.566 4.695 1 0 KJAFRN COC[C@H]1N=C(c2cc(OC)c(OC)c(OC)c2-c2cc3c(cc2[C@H](C)O)OCO3)O[C@H]1c1ccccc1 ZINC000034171918 562038297 /nfs/dbraw/zinc/03/82/97/562038297.db2.gz YVGDTYBGILBISN-ORPQDFNRSA-N 0 0 521.566 4.695 1 0 KJAFRN CS(=O)(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289879 562038658 /nfs/dbraw/zinc/03/86/58/562038658.db2.gz MYCBOPWDLUTINZ-UHFFFAOYSA-N 0 0 515.622 4.785 1 0 KJAFRN COc1ccc(NC(=O)c2cc(Cl)cc([O-])c2NC(=O)c2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000034314487 562038730 /nfs/dbraw/zinc/03/87/30/562038730.db2.gz OQTOLUNCQBFIQW-UHFFFAOYSA-N 0 0 509.006 4.701 1 0 KJAFRN CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3ccccc3OC)c2)C1=O ZINC000034315239 562038672 /nfs/dbraw/zinc/03/86/72/562038672.db2.gz ZXAPQTSHGJKYIE-VJGNERBWSA-N 0 0 521.702 4.923 1 0 KJAFRN Cc1cc(I)c2c(c1)CN1CN2Cc2cc(C)cc(I)c21 ZINC000034553854 562039093 /nfs/dbraw/zinc/03/90/93/562039093.db2.gz AJLQICLQSIQERJ-UHFFFAOYSA-N 0 0 502.137 4.810 1 0 KJAFRN c1cc(-c2cc(-c3ccc(SCCN4CCOCC4)cc3)ncn2)ccc1SCCN1CCOCC1 ZINC000034602959 562039158 /nfs/dbraw/zinc/03/91/58/562039158.db2.gz YBIFEVOANUVYTO-UHFFFAOYSA-N 0 0 522.740 4.659 1 0 KJAFRN COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1 ZINC000034621303 562039312 /nfs/dbraw/zinc/03/93/12/562039312.db2.gz GTRCYAYRRCMTDF-UHFFFAOYSA-N 0 0 515.529 4.529 1 0 KJAFRN COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5ccccn5)c5ccccc5c4=O)c3)c2cc1OC ZINC000034799713 562040599 /nfs/dbraw/zinc/04/05/99/562040599.db2.gz YKYDPWLKXOYPEP-UHFFFAOYSA-N 0 0 546.583 4.665 1 0 KJAFRN COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5ccncc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000034799716 562040596 /nfs/dbraw/zinc/04/05/96/562040596.db2.gz QUYNJXWGUKWZLL-UHFFFAOYSA-N 0 0 546.583 4.665 1 0 KJAFRN NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)cc1 ZINC000034799872 562040766 /nfs/dbraw/zinc/04/07/66/562040766.db2.gz VCRJPKGMKUCDMV-BAQBVXSRSA-N 0 0 656.761 4.544 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000034800557 562040903 /nfs/dbraw/zinc/04/09/03/562040903.db2.gz HMEDGXBEDQKBKZ-UHFFFAOYSA-N 0 0 565.674 4.981 1 0 KJAFRN COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 ZINC000034800770 562040990 /nfs/dbraw/zinc/04/09/90/562040990.db2.gz IGTBNUVMBDYPQG-UHFFFAOYSA-N 0 0 565.671 4.798 1 0 KJAFRN COc1ccc(-n2nc3c(NC(=O)C(c4ccccc4)c4ccccc4)nc4ccccc4n3c2=O)cc1 ZINC000034800783 562041001 /nfs/dbraw/zinc/04/10/01/562041001.db2.gz BVZYBSKEJKEJOJ-UHFFFAOYSA-N 0 0 501.546 4.813 1 0 KJAFRN O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCC(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000034802005 562041635 /nfs/dbraw/zinc/04/16/35/562041635.db2.gz HAXTWSLYVYTHHK-UHFFFAOYSA-N 0 0 534.037 4.825 1 0 KJAFRN CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(-c2ccco2)o1 ZINC000034802547 562042093 /nfs/dbraw/zinc/04/20/93/562042093.db2.gz JFRKHSHRRULFQC-SFHVURJKSA-N 0 0 548.518 4.829 1 0 KJAFRN COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(C(=O)OC(C)(C)C)CC3)cc(=O)oc2c1 ZINC000034803855 562042678 /nfs/dbraw/zinc/04/26/78/562042678.db2.gz KUNNCARPSRPUPW-UHFFFAOYSA-N 0 0 572.456 4.802 1 0 KJAFRN O=C1Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(=O)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc2C1=O ZINC000034803860 562042676 /nfs/dbraw/zinc/04/26/76/562042676.db2.gz BJBYRXGOEDKOAM-NRFANRHFSA-N 0 0 557.566 4.602 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2NC(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000034803861 562042680 /nfs/dbraw/zinc/04/26/80/562042680.db2.gz XMMPFXOFBISRAW-UHFFFAOYSA-N 0 0 528.403 4.865 1 0 KJAFRN O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)[nH]c5c4)c3)Cc3c[nH]c4ccccc34)cc2[nH]1 ZINC000034803876 562042660 /nfs/dbraw/zinc/04/26/60/562042660.db2.gz TZIYTHQTGZXFMI-NRFANRHFSA-N 0 0 531.576 4.671 1 0 KJAFRN O=C1CCN2c3nc(Nc4ccc(N5CCOCC5)cc4)ncc3C=C(c3c(Cl)cccc3Cl)N12 ZINC000034804557 562043148 /nfs/dbraw/zinc/04/31/48/562043148.db2.gz GZZUDLULILLTCZ-UHFFFAOYSA-N 0 0 509.397 4.829 1 0 KJAFRN C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCC(=O)OC(C)(C)C)C(=O)CCl ZINC000034804634 562043158 /nfs/dbraw/zinc/04/31/58/562043158.db2.gz ATRIUXCDTABZSH-GUXSHJEUSA-N 0 0 567.094 4.815 1 0 KJAFRN Cn1c2cc(C(=O)NCCOc3ccc(F)cc3)ccc2nc1C(F)(F)c1nc2c(cc(F)cc2F)[nH]1 ZINC000034804713 562043211 /nfs/dbraw/zinc/04/32/11/562043211.db2.gz ZXBRUEFMBNYVGU-UHFFFAOYSA-N 0 0 515.442 4.816 1 0 KJAFRN CS(=O)(=O)c1cccc(Oc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1 ZINC000034819981 562043649 /nfs/dbraw/zinc/04/36/49/562043649.db2.gz SKKZLHPHYKPJJI-UHFFFAOYSA-N 0 0 515.599 4.820 1 0 KJAFRN COC(=O)c1cccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)c1 ZINC000034820057 562043578 /nfs/dbraw/zinc/04/35/78/562043578.db2.gz NMRXZTAPNGKXLX-UHFFFAOYSA-N 0 0 509.570 4.990 1 0 KJAFRN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 ZINC000034860624 562043790 /nfs/dbraw/zinc/04/37/90/562043790.db2.gz SLMDRLHAAXCTAB-UHFFFAOYSA-N 0 0 500.020 4.627 1 0 KJAFRN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@@H](c3ccc(Br)o3)O[C@]12C(=O)CO ZINC000034867599 562043730 /nfs/dbraw/zinc/04/37/30/562043730.db2.gz ABMPJRQWQNPKHW-FDGMMMINSA-N 0 0 505.405 4.508 1 0 in-vivo KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000034946462 562044023 /nfs/dbraw/zinc/04/40/23/562044023.db2.gz DRAFXHUPVAQHOY-HNNXBMFYSA-N 0 0 501.546 4.626 1 0 KJAFRN COc1ccc(OC)c(NC(=O)c2cnn3c2nc(-c2ccc(OC)c(OC)c2)cc3C(F)(F)F)c1 ZINC000034982102 562044164 /nfs/dbraw/zinc/04/41/64/562044164.db2.gz BHPSQFKPDNAUKA-UHFFFAOYSA-N 0 0 502.449 4.702 1 0 KJAFRN COc1cc(/C=C2\OC(C)(C)CN([C@H](c3cc(F)c(F)c(F)c3)[C@@H](C)O)C2=O)ccc1-n1cnc(C)c1 ZINC000034997316 562044311 /nfs/dbraw/zinc/04/43/11/562044311.db2.gz VQMQAFBJICQTOW-ZSCISJDOSA-N 0 0 515.532 4.707 1 0 KJAFRN COc1ccc2c(Cc3cc(OC)c(OC)c(OC)c3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000035014879 562044448 /nfs/dbraw/zinc/04/44/48/562044448.db2.gz HXKVQOJNNMJDCS-UHFFFAOYSA-N 0 0 501.535 4.530 1 0 KJAFRN Cc1ccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@@H]2C)cc1 ZINC000035174425 562044858 /nfs/dbraw/zinc/04/48/58/562044858.db2.gz QGEQXLDSRGFOGW-FQEVSTJZSA-N 0 0 515.614 4.704 1 0 KJAFRN Cc1ccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@H]2C)cc1 ZINC000035174428 562044798 /nfs/dbraw/zinc/04/47/98/562044798.db2.gz QGEQXLDSRGFOGW-HXUWFJFHSA-N 0 0 515.614 4.704 1 0 KJAFRN CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc32)CC1 ZINC000035242512 562044868 /nfs/dbraw/zinc/04/48/68/562044868.db2.gz OEOQILOGGZQWPK-UHFFFAOYSA-N 0 0 509.628 4.770 1 0 KJAFRN CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)nc(Cl)c3)c3ccccc32)CC1 ZINC000035242538 562044817 /nfs/dbraw/zinc/04/48/17/562044817.db2.gz RWDVQSILOAYKQI-UHFFFAOYSA-N 0 0 529.062 4.518 1 0 KJAFRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCC3)CC2)c2ccccc12 ZINC000035242575 562044844 /nfs/dbraw/zinc/04/48/44/562044844.db2.gz HZDJKINTDOPCKB-UHFFFAOYSA-N 0 0 519.667 4.860 1 0 KJAFRN CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CC)cc3)c3ccccc32)CC1 ZINC000035242645 562044955 /nfs/dbraw/zinc/04/49/55/562044955.db2.gz CWZVZOMPFAPIDY-UHFFFAOYSA-N 0 0 507.656 4.724 1 0 KJAFRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3)CC2)c2ccccc12 ZINC000035242685 562044939 /nfs/dbraw/zinc/04/49/39/562044939.db2.gz BGAJBPXTYAWRIL-UHFFFAOYSA-N 0 0 527.646 4.984 1 0 KJAFRN COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2ccccc2)cc1I ZINC000035297936 562045121 /nfs/dbraw/zinc/04/51/21/562045121.db2.gz VLPHIRNYBAINNN-UHFFFAOYSA-N 0 0 504.328 4.840 1 0 KJAFRN Cc1ccccc1NC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)nc(C)c2C(=O)OC(C)C)C[C@@H]1C ZINC000035703002 562045381 /nfs/dbraw/zinc/04/53/81/562045381.db2.gz KCWMUUPITBZSFA-FQEVSTJZSA-N 0 0 515.614 4.704 1 0 KJAFRN Cc1ccccc1NC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)nc(C)c2C(=O)OC(C)C)C[C@H]1C ZINC000035703005 562045331 /nfs/dbraw/zinc/04/53/31/562045331.db2.gz KCWMUUPITBZSFA-HXUWFJFHSA-N 0 0 515.614 4.704 1 0 KJAFRN CC(C)(C)c1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(=O)C2=NCC(C)(C)CN32)cc1 ZINC000035851142 562045516 /nfs/dbraw/zinc/04/55/16/562045516.db2.gz SNLRESSONMACDU-FQEVSTJZSA-N 0 0 509.672 4.657 1 0 KJAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3-n3ccnc3)c3ccccc32)CC1 ZINC000036089448 562046935 /nfs/dbraw/zinc/04/69/35/562046935.db2.gz SRQDVOBYDYOTOQ-UHFFFAOYSA-N 0 0 512.017 4.648 1 0 KJAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4c(c3)OCO4)c3ccc(Cl)cc32)CC1 ZINC000036089483 562047040 /nfs/dbraw/zinc/04/70/40/562047040.db2.gz XHOOSVMDRHVDTE-UHFFFAOYSA-N 0 0 524.408 4.844 1 0 KJAFRN CNC(=O)c1ccc(C(OCCCCCCn2cc(C)c(=O)[nH]c2=O)(c2ccccc2)c2ccccc2)cc1 ZINC000036093419 562047181 /nfs/dbraw/zinc/04/71/81/562047181.db2.gz RGICYNKHSDSDTE-UHFFFAOYSA-N 0 0 525.649 4.774 1 0 KJAFRN O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccc2ccccc2c1)N1CCC(CCF)CC1 ZINC000036093438 562047166 /nfs/dbraw/zinc/04/71/66/562047166.db2.gz MCKIKXFHLVUSJW-NYDCQLBNSA-N 0 0 604.748 4.868 1 0 KJAFRN CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(-n2cnc(-c3ccc(O)cc3)c2)n1 ZINC000036143685 562048070 /nfs/dbraw/zinc/04/80/70/562048070.db2.gz PMFIEHDHMJUCKV-DEOSSOPVSA-N 0 0 508.667 4.747 1 0 KJAFRN CCOCCCNC(=O)[C@H](CC(C)C)Nc1cc(C)nc(-n2cnc(-c3ccc(OC(F)(F)F)cc3)c2)n1 ZINC000036143711 562048068 /nfs/dbraw/zinc/04/80/68/562048068.db2.gz DLXIXFDOCMFZJC-NRFANRHFSA-N 0 0 534.583 4.906 1 0 KJAFRN CCOCCCNC(=O)[C@H](CC(C)C)Nc1ccnc(-n2cnc(-c3ccc(OC(F)(F)F)cc3)c2)n1 ZINC000036143713 562048053 /nfs/dbraw/zinc/04/80/53/562048053.db2.gz TUHCAMFTKSUWMZ-FQEVSTJZSA-N 0 0 520.556 4.597 1 0 KJAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C4CCC4)CC3)cn2)c(F)c1 ZINC000036161473 562048803 /nfs/dbraw/zinc/04/88/03/562048803.db2.gz CBOBIYYERKRFTQ-UHFFFAOYSA-N 0 0 520.580 4.736 1 0 KJAFRN C/C=C/CN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1 ZINC000036161499 562048739 /nfs/dbraw/zinc/04/87/39/562048739.db2.gz QERYUECBFPQSHN-ONEGZZNKSA-N 0 0 520.580 4.759 1 0 KJAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C(C)C)CC3)cn2)c(F)c1 ZINC000036161577 562048778 /nfs/dbraw/zinc/04/87/78/562048778.db2.gz QJARRGSTUXWHHZ-UHFFFAOYSA-N 0 0 508.569 4.592 1 0 KJAFRN CCCN1CCN(C(=O)c2ccc(NCc3ccc(-c4cccc(F)c4C(=O)OC)cc3F)nc2)CC1 ZINC000036161595 562048808 /nfs/dbraw/zinc/04/88/08/562048808.db2.gz FGYUBFFPVCZDLS-UHFFFAOYSA-N 0 0 508.569 4.593 1 0 KJAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)cn2)c(F)c1 ZINC000036161609 562048746 /nfs/dbraw/zinc/04/87/46/562048746.db2.gz TZYZXSYQSVYQGM-UHFFFAOYSA-N 0 0 548.512 4.746 1 0 KJAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cn2)c(F)c1 ZINC000036161627 562048749 /nfs/dbraw/zinc/04/87/49/562048749.db2.gz SRBCVKNPIVACLD-UHFFFAOYSA-N 0 0 543.574 4.783 1 0 KJAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)cn2)c(F)c1 ZINC000036161648 562048929 /nfs/dbraw/zinc/04/89/29/562048929.db2.gz VBZHPNVRJLCCOA-UHFFFAOYSA-N 0 0 550.606 4.756 1 0 KJAFRN CCC[C@@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175574 562048984 /nfs/dbraw/zinc/04/89/84/562048984.db2.gz LKKZOKBTFIMOBZ-RPSDVRCRSA-N 0 0 518.047 4.948 1 0 KJAFRN CCC[C@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175578 562049016 /nfs/dbraw/zinc/04/90/16/562049016.db2.gz LKKZOKBTFIMOBZ-MQRINHCJSA-N 0 0 518.047 4.948 1 0 KJAFRN CC[C@@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175591 562048968 /nfs/dbraw/zinc/04/89/68/562048968.db2.gz PFBYQYZXEMYQMF-MJCKSOBWSA-N 0 0 504.020 4.558 1 0 KJAFRN CC(C)N1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O ZINC000036177788 562049410 /nfs/dbraw/zinc/04/94/10/562049410.db2.gz BWLUJBRNLJVDMS-GDLZYMKVSA-N 0 0 550.663 4.827 1 0 KJAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000036177792 562049472 /nfs/dbraw/zinc/04/94/72/562049472.db2.gz FJVIXLDHHTWOCN-MHZLTWQESA-N 0 0 590.606 4.981 1 0 KJAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 ZINC000036177816 562049443 /nfs/dbraw/zinc/04/94/43/562049443.db2.gz KMLVQOQLSSCFSQ-NDEPHWFRSA-N 0 0 602.617 4.963 1 0 KJAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1 ZINC000036177826 562049492 /nfs/dbraw/zinc/04/94/92/562049492.db2.gz PSZCYQFNVGJTLN-SANMLTNESA-N 0 0 594.569 4.588 1 0 KJAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3c2cccc3F)CC1 ZINC000036177829 562049474 /nfs/dbraw/zinc/04/94/74/562049474.db2.gz NTTGYCYQYBFXIU-SANMLTNESA-N 0 0 594.569 4.588 1 0 KJAFRN Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)CC1 ZINC000036177861 562049569 /nfs/dbraw/zinc/04/95/69/562049569.db2.gz IUNGQMGFEKYKHY-MHZLTWQESA-N 0 0 590.606 4.757 1 0 KJAFRN Cc1cccc2c1[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)CC1 ZINC000036177868 562049562 /nfs/dbraw/zinc/04/95/62/562049562.db2.gz QEVYTFVHDGZTJK-MHZLTWQESA-N 0 0 590.606 4.757 1 0 KJAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1 ZINC000036177871 562049574 /nfs/dbraw/zinc/04/95/74/562049574.db2.gz AMXWEDUPIXIKBU-SANMLTNESA-N 0 0 594.569 4.588 1 0 KJAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2C[C@@H](c3ccccc3)NC2=O)CC1 ZINC000036177924 562049579 /nfs/dbraw/zinc/04/95/79/562049579.db2.gz UUIQYQXDPFNCKH-LSYYVWMOSA-N 0 0 604.633 4.700 1 0 KJAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2C[C@H](c3ccccc3)NC2=O)CC1 ZINC000036177928 562049583 /nfs/dbraw/zinc/04/95/83/562049583.db2.gz UUIQYQXDPFNCKH-NAKRPHOHSA-N 0 0 604.633 4.700 1 0 KJAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(n2cc(Cc3ccccc3)[nH]c2=O)CC1 ZINC000036177947 562049656 /nfs/dbraw/zinc/04/96/56/562049656.db2.gz VTFMXSXRVJOFLQ-LJAQVGFWSA-N 0 0 616.644 4.886 1 0 KJAFRN CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CCCCNC(=O)c1ccccn1)c1ccccc1 ZINC000036184691 562050237 /nfs/dbraw/zinc/05/02/37/562050237.db2.gz LSUCOXDOQAEXKL-MUUNZHRXSA-N 0 0 505.569 4.995 1 0 KJAFRN CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCCNC(=O)c1ccccn1)c1ccccc1 ZINC000036184692 562050300 /nfs/dbraw/zinc/05/03/00/562050300.db2.gz LSUCOXDOQAEXKL-NDEPHWFRSA-N 0 0 505.569 4.995 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)cc(C)c2C)CC1 ZINC000036184831 562050426 /nfs/dbraw/zinc/05/04/26/562050426.db2.gz FZWLAIJGXFHQJK-UHFFFAOYSA-N 0 0 551.738 4.675 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)ccc2Cl)CC1 ZINC000036184835 562050410 /nfs/dbraw/zinc/05/04/10/562050410.db2.gz JQOCXCNIIWTKMQ-UHFFFAOYSA-N 0 0 558.129 4.711 1 0 KJAFRN CN(C)c1ccc(C(=O)Nc2ncc(SCc3cccc(C(=O)N4CCN(c5ncccn5)CC4)c3)s2)cc1 ZINC000036184843 562050428 /nfs/dbraw/zinc/05/04/28/562050428.db2.gz TVEYRZYFTCQNQK-UHFFFAOYSA-N 0 0 559.721 4.506 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cc(Cl)cc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)c2)CC1 ZINC000036184854 562050446 /nfs/dbraw/zinc/05/04/46/562050446.db2.gz XDUXEVVHZJCQJY-UHFFFAOYSA-N 0 0 558.129 4.711 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)c(C)cc2C)CC1 ZINC000036184857 562050475 /nfs/dbraw/zinc/05/04/75/562050475.db2.gz VTEDTZHIHRZSDP-UHFFFAOYSA-N 0 0 537.711 4.534 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cccc(COCc3cnc(NC(=O)c4ccc(C(C)(C)C)cc4)s3)c2)CC1 ZINC000036184858 562050514 /nfs/dbraw/zinc/05/05/14/562050514.db2.gz XIABTCSDBYIJTG-UHFFFAOYSA-N 0 0 534.682 4.714 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cc(C)c(C)c(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)c2)CC1 ZINC000036184870 562050498 /nfs/dbraw/zinc/05/04/98/562050498.db2.gz VRFYHMPLFWXUSJ-UHFFFAOYSA-N 0 0 537.711 4.534 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)cc(C)c2C)CC1 ZINC000036184875 562050527 /nfs/dbraw/zinc/05/05/27/562050527.db2.gz NSUWPDMYMLHMAE-UHFFFAOYSA-N 0 0 537.711 4.534 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cccc(CN(C)Cc3cnc(NC(=O)c4ccc(C(C)(C)C)cc4)s3)c2)CC1 ZINC000036184876 562050470 /nfs/dbraw/zinc/05/04/70/562050470.db2.gz BODDOMUCKPUVGY-UHFFFAOYSA-N 0 0 547.725 4.629 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)ccc2Cl)CC1 ZINC000036184878 562050508 /nfs/dbraw/zinc/05/05/08/562050508.db2.gz LNLUHHXYUKPHKY-UHFFFAOYSA-N 0 0 544.102 4.570 1 0 KJAFRN COc1cc(C)c(Sc2cnc(Nc3cc(C)cc(C)n3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000036184888 562050502 /nfs/dbraw/zinc/05/05/02/562050502.db2.gz UWSAYPXXZRHDTN-UHFFFAOYSA-N 0 0 511.673 4.671 1 0 KJAFRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCCCC3)CC2)c2ccccc12 ZINC000036184930 562050680 /nfs/dbraw/zinc/05/06/80/562050680.db2.gz XBNXUTMILCXSPR-UHFFFAOYSA-N 0 0 534.682 4.749 1 0 KJAFRN CN1CCN(N(C(=O)Nc2c(Cl)cccc2Cl)c2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)CC1 ZINC000036187646 562050720 /nfs/dbraw/zinc/05/07/20/562050720.db2.gz LKOKONRNTNNDDK-UHFFFAOYSA-N 0 0 557.486 4.565 1 0 KJAFRN O=C1NC(=O)C(c2cn(CCO[C@@H](CCO)[C@@H]3COC4(CCCCC4)O3)c3ccccc23)=C1c1c[nH]c2ccccc21 ZINC000036187721 562050691 /nfs/dbraw/zinc/05/06/91/562050691.db2.gz AMRDYFUDTVDQFM-NSOVKSMOSA-N 0 0 569.658 4.533 1 0 KJAFRN O=C1NC(=O)C(c2cn(CCO[C@H](CCO)[C@@H]3COC4(CCCCC4)O3)c3ccccc23)=C1c1c[nH]c2ccccc21 ZINC000036187722 562050728 /nfs/dbraw/zinc/05/07/28/562050728.db2.gz AMRDYFUDTVDQFM-IZLXSDGUSA-N 0 0 569.658 4.533 1 0 KJAFRN O=C1NC(=O)C(c2cn(CCO[C@@H](CCO)[C@H]3COC4(CCCCC4)O3)c3ccccc23)=C1c1c[nH]c2ccccc21 ZINC000036187723 562050719 /nfs/dbraw/zinc/05/07/19/562050719.db2.gz AMRDYFUDTVDQFM-WUFINQPMSA-N 0 0 569.658 4.533 1 0 KJAFRN O=C1NC(=O)C(c2cn(CCO[C@H](CCO)[C@H]3COC4(CCCCC4)O3)c3ccccc23)=C1c1c[nH]c2ccccc21 ZINC000036187724 562050724 /nfs/dbraw/zinc/05/07/24/562050724.db2.gz AMRDYFUDTVDQFM-VSGBNLITSA-N 0 0 569.658 4.533 1 0 KJAFRN O=C1NC(=O)C(c2cn(CCO[C@@H](CCO)[C@@H]3COC4(CCCCC4)O3)c3ccccc23)=C1c1c[nH]c2cccc(F)c21 ZINC000036187725 562050883 /nfs/dbraw/zinc/05/08/83/562050883.db2.gz HNMGPKKHNFEUFD-SVBPBHIXSA-N 0 0 587.648 4.672 1 0 KJAFRN O=C1NC(=O)C(c2cn(CCO[C@H](CCO)[C@@H]3COC4(CCCCC4)O3)c3ccccc23)=C1c1c[nH]c2cccc(F)c21 ZINC000036187726 562050896 /nfs/dbraw/zinc/05/08/96/562050896.db2.gz HNMGPKKHNFEUFD-SXOMAYOGSA-N 0 0 587.648 4.672 1 0 KJAFRN O=C1NC(=O)C(c2cn(CCO[C@@H](CCO)[C@H]3COC4(CCCCC4)O3)c3ccccc23)=C1c1c[nH]c2cccc(F)c21 ZINC000036187727 562050903 /nfs/dbraw/zinc/05/09/03/562050903.db2.gz HNMGPKKHNFEUFD-RRPNLBNLSA-N 0 0 587.648 4.672 1 0 KJAFRN O=C1NC(=O)C(c2cn(CCO[C@H](CCO)[C@H]3COC4(CCCCC4)O3)c3ccccc23)=C1c1c[nH]c2cccc(F)c21 ZINC000036187728 562050870 /nfs/dbraw/zinc/05/08/70/562050870.db2.gz HNMGPKKHNFEUFD-KAYWLYCHSA-N 0 0 587.648 4.672 1 0 KJAFRN CCCn1c2[nH]c(-c3cnn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c(=O)n(CCC)c1=O ZINC000036190446 562051157 /nfs/dbraw/zinc/05/11/57/562051157.db2.gz LJVTYOCVRPAOHR-UHFFFAOYSA-N 0 0 528.457 4.656 1 0 KJAFRN CCCCc1nc2ccc([C@@H](C)NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000036222120 562051655 /nfs/dbraw/zinc/05/16/55/562051655.db2.gz ZVNBXNXLGGJRQZ-LJQANCHMSA-N 0 0 521.625 4.832 1 0 KJAFRN CCCCc1nc2ccc([C@H](C)NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000036222122 562051635 /nfs/dbraw/zinc/05/16/35/562051635.db2.gz ZVNBXNXLGGJRQZ-IBGZPJMESA-N 0 0 521.625 4.832 1 0 KJAFRN COc1cc2cc(CO)c(CO)c(-c3cccc(-n4nc(-c5cccnc5)c5ccccc5c4=O)n3)c2cc1OC ZINC000036243133 562052301 /nfs/dbraw/zinc/05/23/01/562052301.db2.gz OHASJOLVTWQDCA-UHFFFAOYSA-N 0 0 546.583 4.665 1 0 KJAFRN CC(C)(c1cc2cccnc2c(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)c1)S(C)(=O)=O ZINC000036268810 562052815 /nfs/dbraw/zinc/05/28/15/562052815.db2.gz HGDWTVWVCTUICT-UHFFFAOYSA-N 0 0 522.648 4.837 1 0 KJAFRN CC(C)(c1cc2cccnc2c(-c2cccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)c1)S(C)(=O)=O ZINC000036268814 562052801 /nfs/dbraw/zinc/05/28/01/562052801.db2.gz OBKIBWWNAYXLEM-UHFFFAOYSA-N 0 0 522.648 4.837 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C(C)C)c1 ZINC000036268969 562052924 /nfs/dbraw/zinc/05/29/24/562052924.db2.gz APYYAMRNTXCSIO-WNCULLNHSA-N 0 0 584.783 4.554 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)NC(c4ccccc4)c4ccccc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000036272168 562053132 /nfs/dbraw/zinc/05/31/32/562053132.db2.gz OZWAKGSVFODGAG-UHFFFAOYSA-N 0 0 551.647 4.658 1 0 KJAFRN CCN(CC)C(=O)[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036284945 562053607 /nfs/dbraw/zinc/05/36/07/562053607.db2.gz SKYATFNOQJVJQZ-KCTCJIHVSA-N 0 0 622.254 4.756 1 0 KJAFRN CCN(CC)C(=O)[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1 ZINC000036284950 562053624 /nfs/dbraw/zinc/05/36/24/562053624.db2.gz SKYATFNOQJVJQZ-VLDRXUDMSA-N 0 0 622.254 4.756 1 0 KJAFRN CCN(CC)C(=O)[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036284954 562053602 /nfs/dbraw/zinc/05/36/02/562053602.db2.gz SKYATFNOQJVJQZ-FPADFWFCSA-N 0 0 622.254 4.756 1 0 KJAFRN CCN(CC)C(=O)[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1 ZINC000036284959 562053605 /nfs/dbraw/zinc/05/36/05/562053605.db2.gz SKYATFNOQJVJQZ-MQCKJSQQSA-N 0 0 622.254 4.756 1 0 KJAFRN CCN(C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)n2cc3ccccc3c2)CC1)S(C)(=O)=O ZINC000036285098 562053739 /nfs/dbraw/zinc/05/37/39/562053739.db2.gz CZGXJDGUNUQNIZ-JSOSNVBQSA-N 0 0 642.266 4.838 1 0 KJAFRN CCN(C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)n2cc3ccccc3c2)CC1)S(C)(=O)=O ZINC000036285101 562053792 /nfs/dbraw/zinc/05/37/92/562053792.db2.gz CZGXJDGUNUQNIZ-FIRIVFDPSA-N 0 0 642.266 4.838 1 0 KJAFRN C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O ZINC000036310756 562054969 /nfs/dbraw/zinc/05/49/69/562054969.db2.gz HAHDIJYZOQGECB-JYIOINSGSA-N 0 0 573.694 4.666 1 0 KJAFRN C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CCCN2C1=O ZINC000036310758 562055004 /nfs/dbraw/zinc/05/50/04/562055004.db2.gz HAHDIJYZOQGECB-UBQPIHBDSA-N 0 0 573.694 4.666 1 0 KJAFRN CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3OC(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000036323604 562055205 /nfs/dbraw/zinc/05/52/05/562055205.db2.gz GXDHHASFXFRRTG-CNVLFFCLSA-N 0 0 549.569 4.768 1 0 KJAFRN CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3C(F)(F)F)CO2)[C@@H]1c1ccc(F)cc1 ZINC000036323630 562055254 /nfs/dbraw/zinc/05/52/54/562055254.db2.gz RHLFRQYCXXEYMH-CNVLFFCLSA-N 0 0 533.570 4.888 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=S)Nc1ccccc1Cl ZINC000036323710 562055215 /nfs/dbraw/zinc/05/52/15/562055215.db2.gz DMMXXLOPZHBMHM-CLJLJLNGSA-N 0 0 535.113 4.887 1 0 KJAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=S)Nc1ccccc1Br ZINC000036323756 562055219 /nfs/dbraw/zinc/05/52/19/562055219.db2.gz LYGDCLHLVLCYKZ-CLJLJLNGSA-N 0 0 579.564 4.996 1 0 KJAFRN NC(=O)N1CCC[C@@H]2[C@H](C(=O)N3CCN([C@@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@H]21 ZINC000036330374 562055646 /nfs/dbraw/zinc/05/56/46/562055646.db2.gz QEOWVJCKYYIHBH-DLGLWYJGSA-N 0 0 600.989 4.789 1 0 KJAFRN NC(=O)N1CCC[C@@H]2[C@H](C(=O)N3CCN([C@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@H]21 ZINC000036330375 562055639 /nfs/dbraw/zinc/05/56/39/562055639.db2.gz QEOWVJCKYYIHBH-BGBNXGLDSA-N 0 0 600.989 4.789 1 0 KJAFRN O=C(C[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccncc1)NC1CC1 ZINC000036330377 562055696 /nfs/dbraw/zinc/05/56/96/562055696.db2.gz JDIQHLJYMXXNKB-FYBSXPHGSA-N 0 0 608.968 4.505 1 0 KJAFRN O=C(C[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1ccncc1)NC1CC1 ZINC000036330378 562055630 /nfs/dbraw/zinc/05/56/30/562055630.db2.gz JDIQHLJYMXXNKB-RNAHPLFWSA-N 0 0 608.968 4.505 1 0 KJAFRN CCCCNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330381 562055709 /nfs/dbraw/zinc/05/57/09/562055709.db2.gz RCCUCHCLRYWOAS-XTEPFMGCSA-N 0 0 625.999 4.893 1 0 KJAFRN CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)Nc1cnccn1 ZINC000036330387 562055694 /nfs/dbraw/zinc/05/56/94/562055694.db2.gz DRYADWZEQIWQDK-WNCULLNHSA-N 0 0 597.945 4.817 1 0 KJAFRN CC(C)CC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330389 562055688 /nfs/dbraw/zinc/05/56/88/562055688.db2.gz OIXTWEGQCSRVEN-LITSAYRRSA-N 0 0 610.984 4.956 1 0 KJAFRN CCCNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330390 562055690 /nfs/dbraw/zinc/05/56/90/562055690.db2.gz VMPOGPLMXVTSIM-AHKZPQOWSA-N 0 0 611.972 4.503 1 0 KJAFRN CC(C)CNC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330391 562055686 /nfs/dbraw/zinc/05/56/86/562055686.db2.gz MDBOTFRSILQXBP-XTEPFMGCSA-N 0 0 625.999 4.749 1 0 KJAFRN CC(C)(C)NC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330392 562055648 /nfs/dbraw/zinc/05/56/48/562055648.db2.gz JHMVRJULHPLSFV-AHKZPQOWSA-N 0 0 625.999 4.891 1 0 KJAFRN CC(C)NC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330400 562055808 /nfs/dbraw/zinc/05/58/08/562055808.db2.gz WLPWQYIANXQUAR-AHKZPQOWSA-N 0 0 611.972 4.501 1 0 KJAFRN CCCO[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331131 562056236 /nfs/dbraw/zinc/05/62/36/562056236.db2.gz XXHIBWMVAQUFEJ-QQJWEHFTSA-N 0 0 583.678 4.619 1 0 KJAFRN CCCO[C@H]1C[C@@H]2[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331133 562056212 /nfs/dbraw/zinc/05/62/12/562056212.db2.gz XXHIBWMVAQUFEJ-MQGVRPCUSA-N 0 0 583.678 4.619 1 0 KJAFRN CCCO[C@H]1CC[C@@]2(C)[C@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@]1(C)COC(C)=O ZINC000036331135 562056268 /nfs/dbraw/zinc/05/62/68/562056268.db2.gz YMTUBIDFJCWJDH-MQGVRPCUSA-N 0 0 583.678 4.619 1 0 KJAFRN CCCO[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@]1(C)COC(C)=O ZINC000036331137 562056225 /nfs/dbraw/zinc/05/62/25/562056225.db2.gz YMTUBIDFJCWJDH-QQJWEHFTSA-N 0 0 583.678 4.619 1 0 KJAFRN CCCO[C@H]1CC[C@]2(C)[C@@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@@H]2[C@]1(C)COC(C)=O ZINC000036331139 562056263 /nfs/dbraw/zinc/05/62/63/562056263.db2.gz YMTUBIDFJCWJDH-QIEGGUOOSA-N 0 0 583.678 4.619 1 0 KJAFRN CCCO[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]23)[C@]1(C)COC(C)=O ZINC000036331141 562056219 /nfs/dbraw/zinc/05/62/19/562056219.db2.gz YMTUBIDFJCWJDH-OSERXXESSA-N 0 0 583.678 4.619 1 0 KJAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](CC)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331143 562056255 /nfs/dbraw/zinc/05/62/55/562056255.db2.gz FENPOBGBVDMUOV-KANOQGSXSA-N 0 0 596.721 4.520 1 0 KJAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331159 562056194 /nfs/dbraw/zinc/05/61/94/562056194.db2.gz DCKJSLKYPRSJEJ-HIXISRMESA-N 0 0 596.721 4.520 1 0 KJAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331163 562056227 /nfs/dbraw/zinc/05/62/27/562056227.db2.gz DCKJSLKYPRSJEJ-KSRFJYGKSA-N 0 0 596.721 4.520 1 0 KJAFRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@@H]2[C@]1(C)COCC(C)C ZINC000036331175 562056205 /nfs/dbraw/zinc/05/62/05/562056205.db2.gz MURAPWFLNLVIKJ-AXRAGUGBSA-N 0 0 597.705 4.865 1 0 KJAFRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]23)[C@]1(C)COCC(C)C ZINC000036331177 562056223 /nfs/dbraw/zinc/05/62/23/562056223.db2.gz MURAPWFLNLVIKJ-BYJVDADPSA-N 0 0 597.705 4.865 1 0 KJAFRN CCCOC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@H]12 ZINC000036331208 562056352 /nfs/dbraw/zinc/05/63/52/562056352.db2.gz KXAHBGRHBULPNL-QIEGGUOOSA-N 0 0 583.678 4.619 1 0 KJAFRN CCCOC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000036331210 562056328 /nfs/dbraw/zinc/05/63/28/562056328.db2.gz KXAHBGRHBULPNL-OSERXXESSA-N 0 0 583.678 4.619 1 0 KJAFRN CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OCC(C)C)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000036331225 562056333 /nfs/dbraw/zinc/05/63/33/562056333.db2.gz CVWAYJGTOXIBSF-YIGCTRRJSA-N 0 0 597.705 4.865 1 0 KJAFRN CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](OCC(C)C)[C@@]1(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]21 ZINC000036331227 562056314 /nfs/dbraw/zinc/05/63/14/562056314.db2.gz CVWAYJGTOXIBSF-WLQDRXRLSA-N 0 0 597.705 4.865 1 0 KJAFRN CC(=O)OC[C@]1(C)[C@@H](OCC(C)C)CC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]21 ZINC000036331238 562056347 /nfs/dbraw/zinc/05/63/47/562056347.db2.gz NHZDMBMVQIMLCJ-WLQDRXRLSA-N 0 0 597.705 4.865 1 0 KJAFRN CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OCC(C)C ZINC000036331240 562056337 /nfs/dbraw/zinc/05/63/37/562056337.db2.gz NHZDMBMVQIMLCJ-YIGCTRRJSA-N 0 0 597.705 4.865 1 0 KJAFRN CC(=O)OC[C@]1(C)[C@@H](OCC(C)C)CC[C@]2(C)[C@@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@H]12 ZINC000036331242 562056324 /nfs/dbraw/zinc/05/63/24/562056324.db2.gz NHZDMBMVQIMLCJ-AXRAGUGBSA-N 0 0 597.705 4.865 1 0 KJAFRN CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]3[C@@]2(C)CC[C@@H]1OCC(C)C ZINC000036331244 562056340 /nfs/dbraw/zinc/05/63/40/562056340.db2.gz NHZDMBMVQIMLCJ-BYJVDADPSA-N 0 0 597.705 4.865 1 0 KJAFRN CC(=O)CCCCC[C@H](NC(=O)c1snnc1C)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338723 562057133 /nfs/dbraw/zinc/05/71/33/562057133.db2.gz YBSWVQPOPGXSFL-VWLOTQADSA-N 0 0 531.682 4.992 1 0 KJAFRN O=c1c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](O)[C@H]3O)c2ncn1CC1CCCCC1 ZINC000036338737 562057238 /nfs/dbraw/zinc/05/72/38/562057238.db2.gz CFSSQQKSMHGUJB-QSYCCZFCSA-N 0 0 606.723 4.801 1 0 in-vivo KJAFRN O=C(OCC(F)(F)F)[C@@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@H]1c1ccco1 ZINC000036348521 562057672 /nfs/dbraw/zinc/05/76/72/562057672.db2.gz JIANCEGGXLZMAU-YRKKDBSBSA-N 0 0 574.596 4.963 1 0 KJAFRN O=C(OCC(F)(F)F)[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@H]1c1ccco1 ZINC000036348525 562057687 /nfs/dbraw/zinc/05/76/87/562057687.db2.gz JIANCEGGXLZMAU-FIYSCABWSA-N 0 0 574.596 4.963 1 0 KJAFRN COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CCCC5)c4)c3n2)cc(OC)c1OC ZINC000036348633 562057681 /nfs/dbraw/zinc/05/76/81/562057681.db2.gz SQXQREQPIVDQHE-UHFFFAOYSA-N 0 0 501.587 4.791 1 0 KJAFRN COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCC(C)C)c4)c3n2)cc(OC)c1OC ZINC000036348714 562057843 /nfs/dbraw/zinc/05/78/43/562057843.db2.gz WHOFQPMYVHXKLL-UHFFFAOYSA-N 0 0 503.603 4.895 1 0 KJAFRN CS(=O)(=O)c1ccc([C@@]23C[C@@H]2[C@H](N(CC2CCN(S(C)(=O)=O)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)cc1 ZINC000036351511 562058571 /nfs/dbraw/zinc/05/85/71/562058571.db2.gz FBXRGUMEPISGRA-AVPJRLCVSA-N 0 0 598.162 4.508 1 0 KJAFRN CS(=O)(=O)c1ccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccc(F)c(Cl)c2)CC3)cc1 ZINC000036351513 562058563 /nfs/dbraw/zinc/05/85/63/562058563.db2.gz CJVGLJJODOOTRM-GNMGOMLTSA-N 0 0 548.080 4.849 1 0 KJAFRN CS(=O)(=O)C1CCN(Cc2cnc3c(cccc3CNC(=O)c3ccc(-c4ccc(F)cc4)cc3)c2)CC1 ZINC000036351710 562059114 /nfs/dbraw/zinc/05/91/14/562059114.db2.gz NCXCBQOSUUZHJR-UHFFFAOYSA-N 0 0 531.653 4.980 1 0 KJAFRN CN(C)C(=O)CN(C)Cc1cnc2c(cccc2Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)c1 ZINC000036351720 562059215 /nfs/dbraw/zinc/05/92/15/562059215.db2.gz UTRKHTQTEWLKLU-UHFFFAOYSA-N 0 0 532.069 4.895 1 0 KJAFRN CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N(C)CC(F)(F)F)C4)C3)s2)cc1 ZINC000036351874 562059292 /nfs/dbraw/zinc/05/92/92/562059292.db2.gz VJGMURHBUDRHMU-RTWAWAEBSA-N 0 0 522.637 4.812 1 0 KJAFRN CC1(C)CCc2cc(S(=O)(=O)N3CCN(c4nc(-c5cccs5)nc5ccccc54)CC3)ccc2O1 ZINC000036381534 562059780 /nfs/dbraw/zinc/05/97/80/562059780.db2.gz ITHMTLKTZYUFFD-UHFFFAOYSA-N 0 0 520.680 4.973 1 0 KJAFRN CCCCCCN1C(=O)CC[C@]23c4ccccc4N(Cc4ccccc4)[C@H]2C(C(=O)OC)=C(C(=O)OC)N=C13 ZINC000036381578 562059743 /nfs/dbraw/zinc/05/97/43/562059743.db2.gz MHIOAVGFNZQICO-DHIFEGFHSA-N 0 0 529.637 4.528 1 0 KJAFRN Cc1ccc(S(=O)(=O)N2CCN(c3nc(N(C)c4cc(Cl)ccc4O)nc4ccccc43)CC2)cc1 ZINC000036382626 562059874 /nfs/dbraw/zinc/05/98/74/562059874.db2.gz XCDFGTNCOQTGML-UHFFFAOYSA-N 0 0 524.046 4.576 1 0 KJAFRN O=C(c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2OCc2ccccc2)CC1 ZINC000036382827 562060006 /nfs/dbraw/zinc/06/00/06/562060006.db2.gz IINREICRLSGFOA-UHFFFAOYSA-N 0 0 520.589 4.516 1 0 KJAFRN O=C(c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2Oc2ccccc2)CC1 ZINC000036382829 562060030 /nfs/dbraw/zinc/06/00/30/562060030.db2.gz WFOAUFCLGWSHGW-UHFFFAOYSA-N 0 0 506.562 4.729 1 0 KJAFRN CC(=O)Nc1ccc([C@H]2[C@@H](C)CC[C@H]3C(=O)N4[C@H](CC[C@@H](C)[C@H]4c4ccc(NC(C)=O)cc4)C(=O)N23)cc1 ZINC000036384599 562060143 /nfs/dbraw/zinc/06/01/43/562060143.db2.gz DSQXTVAJRHMQRP-GHBVHVRQSA-N 0 0 516.642 4.654 1 0 KJAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)N5CCCC5)CC4)cc2)CC3)cc1 ZINC000036415210 562060544 /nfs/dbraw/zinc/06/05/44/562060544.db2.gz LJBVVDYDIRMCOP-UHFFFAOYSA-N 0 0 524.543 4.757 1 0 KJAFRN CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(Cc2ccc(S(=O)(=O)N(C)C)cc2)c1=O ZINC000036415352 562060645 /nfs/dbraw/zinc/06/06/45/562060645.db2.gz OLXYNKUOCPIMMZ-UHFFFAOYSA-N 0 0 531.682 4.546 1 0 KJAFRN Cc1ccc(S(=O)(=O)n2c3cc(Cl)c(Cl)cc3nc2CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000036473684 562060828 /nfs/dbraw/zinc/06/08/28/562060828.db2.gz PHSXYDFBHBPFAG-UHFFFAOYSA-N 0 0 514.390 4.727 1 0 KJAFRN Cc1ccc(S(=O)(=O)n2c3cc(Cl)c(Cl)cc3nc2CN2C(=O)c3ccccc3C2=O)cc1 ZINC000036473944 562060845 /nfs/dbraw/zinc/06/08/45/562060845.db2.gz GSCQXTAXISQZCL-UHFFFAOYSA-N 0 0 500.363 4.685 1 0 KJAFRN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@@H](c3ccc(Br)cc3)O[C@]12C(=O)CO ZINC000036474077 562060838 /nfs/dbraw/zinc/06/08/38/562060838.db2.gz VFAXYMFYKNSWJA-NJORDEGNSA-N 0 0 515.444 4.915 1 0 KJAFRN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@@H](c3ccc(Br)s3)O[C@]12C(=O)CO ZINC000036474078 562060846 /nfs/dbraw/zinc/06/08/46/562060846.db2.gz XYERXBAPKXLNAC-FDGMMMINSA-N 0 0 521.473 4.977 1 0 KJAFRN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@H](c3ccc(Br)cc3)O[C@]12C(=O)CO ZINC000036474205 562060837 /nfs/dbraw/zinc/06/08/37/562060837.db2.gz VFAXYMFYKNSWJA-ZFNKFLCOSA-N 0 0 515.444 4.915 1 0 KJAFRN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@H](c3ccc(Br)s3)O[C@]12C(=O)CO ZINC000036474206 562060862 /nfs/dbraw/zinc/06/08/62/562060862.db2.gz XYERXBAPKXLNAC-MOIMHNHASA-N 0 0 521.473 4.977 1 0 KJAFRN Cc1sc(C(=O)CCc2cc(C)c(OC[C@H](O)C[NH2+]CCC(=O)[O-])c(C)c2)c2c1CC(C)(C)CC2 ZINC000036478124 562061008 /nfs/dbraw/zinc/06/10/08/562061008.db2.gz CRGMVMWZYJXJFT-OAQYLSRUSA-N 0 0 501.689 4.808 1 0 KJAFRN Cc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)C[NH2+]CCC(=O)[O-])c(C)c2)c2c1CC(C)(C)CC2 ZINC000036478125 562060931 /nfs/dbraw/zinc/06/09/31/562060931.db2.gz CRGMVMWZYJXJFT-NRFANRHFSA-N 0 0 501.689 4.808 1 0 KJAFRN Cc1sc(C(=O)CCc2cc(C)c(OC[C@H](O)C[NH+]3CC(C(=O)[O-])C3)c(C)c2)c2c1CC(C)(C)CC2 ZINC000036478126 562060925 /nfs/dbraw/zinc/06/09/25/562060925.db2.gz YRZPYAGPAYPWKT-JOCHJYFZSA-N 0 0 513.700 4.760 1 0 KJAFRN Cc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)C[NH+]3CC(C(=O)[O-])C3)c(C)c2)c2c1CC(C)(C)CC2 ZINC000036478127 562060996 /nfs/dbraw/zinc/06/09/96/562060996.db2.gz YRZPYAGPAYPWKT-QFIPXVFZSA-N 0 0 513.700 4.760 1 0 KJAFRN Cc1sc(C(=O)CCc2cc(C)c(OC[C@H](O)C[NH+]3CC(C(=O)[O-])C3)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000036479218 562060939 /nfs/dbraw/zinc/06/09/39/562060939.db2.gz KGKIVXCNBXLMOF-QFZWGZQFSA-N 0 0 511.684 4.541 1 0 KJAFRN Cc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)C[NH+]3CC(C(=O)[O-])C3)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000036479219 562060966 /nfs/dbraw/zinc/06/09/66/562060966.db2.gz KGKIVXCNBXLMOF-NIRIFSCTSA-N 0 0 511.684 4.541 1 0 KJAFRN CO[C@@H](C)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3-c3ccc(F)cc3)CC2)c(F)c1 ZINC000036487249 562060985 /nfs/dbraw/zinc/06/09/85/562060985.db2.gz JQXZHDOSMUZLML-SFHVURJKSA-N 0 0 514.594 4.705 1 0 in-vitro KJAFRN CO[C@H](C)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3-c3ccc(F)cc3)CC2)c(F)c1 ZINC000036487250 562060971 /nfs/dbraw/zinc/06/09/71/562060971.db2.gz JQXZHDOSMUZLML-GOSISDBHSA-N 0 0 514.594 4.705 1 0 in-vitro KJAFRN COc1cc2nccc(Oc3ccc(-c4cnc([C@H](N)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000036489455 562061132 /nfs/dbraw/zinc/06/11/32/562061132.db2.gz CFZUQQDNJOFAHF-HHHXNRCGSA-N 0 0 512.541 4.992 1 0 KJAFRN COc1cc2nccc(Oc3ccc(-c4cnc([C@@H](N)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000036489456 562061125 /nfs/dbraw/zinc/06/11/25/562061125.db2.gz CFZUQQDNJOFAHF-MHZLTWQESA-N 0 0 512.541 4.992 1 0 KJAFRN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C[C@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000036774653 562061611 /nfs/dbraw/zinc/06/16/11/562061611.db2.gz BLFUASLRZDWGFS-PKKDDUSOSA-N 0 0 753.993 4.787 1 0 KJAFRN COc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000038139347 562062594 /nfs/dbraw/zinc/06/25/94/562062594.db2.gz KIFSWQUPEKCTFC-UHFFFAOYSA-N 0 0 559.711 4.953 1 0 KJAFRN COc1ccccc1[C@@H]1C(c2ccc(F)cc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000038140565 562063087 /nfs/dbraw/zinc/06/30/87/562063087.db2.gz IUMABDAASNRISQ-ISKFKSNPSA-N 0 0 538.373 4.952 1 0 aggregator KJAFRN CN(CC(=O)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000038140988 562063165 /nfs/dbraw/zinc/06/31/65/562063165.db2.gz CEJNNUYHMGALHW-ISCCLHIJSA-N 0 0 544.142 4.944 1 0 KJAFRN O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3cccc(Br)c3)nc3ccccc32)CC1 ZINC000038141932 562063369 /nfs/dbraw/zinc/06/33/69/562063369.db2.gz QCSDTQMJNQPGKX-UHFFFAOYSA-N 0 0 527.419 4.709 1 0 KJAFRN O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(Nc3cc(Cl)ccc3O)nc3ccccc32)CC1 ZINC000038142077 562063394 /nfs/dbraw/zinc/06/33/94/562063394.db2.gz TWGZFJFLAXFGDI-UHFFFAOYSA-N 0 0 530.437 4.897 1 0 KJAFRN COC(=O)C1=C(C(=O)OC)[C@@H]2N(CC=C(C)C)c3ccccc3[C@@]23CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C3=N1 ZINC000038142202 562063513 /nfs/dbraw/zinc/06/35/13/562063513.db2.gz JDTXXUZVZBTISK-YZNIXAGQSA-N 0 0 581.591 4.933 1 0 KJAFRN S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCc1c[nH]cn1 ZINC000038142451 562063605 /nfs/dbraw/zinc/06/36/05/562063605.db2.gz IBNAIEPRPQHZLP-UHFFFAOYSA-N 0 0 542.334 4.978 1 0 KJAFRN CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(Cc2ccc(S(C)(=O)=O)cc2)c1=O ZINC000038142832 562063578 /nfs/dbraw/zinc/06/35/78/562063578.db2.gz DWWIEOLDTXFRIL-UHFFFAOYSA-N 0 0 502.640 4.699 1 0 KJAFRN COc1ccc(Cl)cc1N(C)c1nc2ccccc2c(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000038142945 562063586 /nfs/dbraw/zinc/06/35/86/562063586.db2.gz SBSORDCHGJVCFC-UHFFFAOYSA-N 0 0 538.073 4.879 1 0 KJAFRN CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc4c(c3)OCO4)c2)C1=O ZINC000038143378 562063802 /nfs/dbraw/zinc/06/38/02/562063802.db2.gz NDGJFVLCWLEVLI-NXCFDTQHSA-N 0 0 550.700 4.720 1 0 KJAFRN CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3)c2)C1=O ZINC000038143382 562063825 /nfs/dbraw/zinc/06/38/25/562063825.db2.gz OKLFAFALNDEADG-VJGNERBWSA-N 0 0 506.691 4.991 1 0 KJAFRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(CNC(=O)CO)cc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000038143503 562063904 /nfs/dbraw/zinc/06/39/04/562063904.db2.gz FTNXORSLMJVOOU-MGBGTMOVSA-N 0 0 594.668 4.608 1 0 KJAFRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(CNC(=O)CO)cc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000038143504 562063911 /nfs/dbraw/zinc/06/39/11/562063911.db2.gz FTNXORSLMJVOOU-XIFFEERXSA-N 0 0 594.668 4.608 1 0 KJAFRN O=C(N1CCCCC1)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000038144051 562064055 /nfs/dbraw/zinc/06/40/55/562064055.db2.gz RXNBKMLASWKZDD-NYDCQLBNSA-N 0 0 576.715 4.581 1 0 KJAFRN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCN(CCN4CCOCC4)CC3)ccc2c1 ZINC000038149727 562066178 /nfs/dbraw/zinc/06/61/78/562066178.db2.gz ASNHGCOBIVDYRD-UHFFFAOYSA-N 0 0 601.176 4.766 1 0 KJAFRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2cccs2)N2[C@@H]4C(=O)N(c5ccc(C)cc5)C(=O)[C@H]4[C@@H](c4cccs4)N32)cc1 ZINC000038154540 554273456 /nfs/dbraw/zinc/27/34/56/554273456.db2.gz SOEGIFSLPAGFKR-BYECRERDSA-N 0 0 594.718 4.871 1 0 KJAFRN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2F)CC1 ZINC000038157772 562069418 /nfs/dbraw/zinc/06/94/18/562069418.db2.gz OICWCVOOUHNWCL-GDLZYMKVSA-N 0 0 632.795 4.849 1 0 KJAFRN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2c(F)cccc2F)CC1 ZINC000038157773 562069434 /nfs/dbraw/zinc/06/94/34/562069434.db2.gz UKLYIBLRWMCLRI-MUUNZHRXSA-N 0 0 632.795 4.849 1 0 KJAFRN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2F)CC1 ZINC000038157774 562069446 /nfs/dbraw/zinc/06/94/46/562069446.db2.gz BFJINXQZQCVHLS-MUUNZHRXSA-N 0 0 632.795 4.849 1 0 KJAFRN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000038159384 562070418 /nfs/dbraw/zinc/07/04/18/562070418.db2.gz STFHCRUNLPKGNS-HNYWZHMISA-N 0 0 614.688 4.959 1 0 KJAFRN COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[C@@H]2C(=O)c2ccc3c(c2OC)OCO3)cc(OC)c1OC ZINC000038159385 562070450 /nfs/dbraw/zinc/07/04/50/562070450.db2.gz STFHCRUNLPKGNS-OMEOZLQRSA-N 0 0 614.688 4.959 1 0 KJAFRN COC(=O)c1c(-c2ccc(O)c(OC)c2)c(-c2ccc(O)c(OC)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000038212109 562070523 /nfs/dbraw/zinc/07/05/23/562070523.db2.gz DBTKCIKOFZCTSM-UHFFFAOYSA-N 0 0 517.534 4.974 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)C=C(C)C)[C@@](C)(O)[C@@H](C)C2 ZINC000038321736 291872180 /nfs/dbraw/zinc/87/21/80/291872180.db2.gz LCQKYZXWCLBYHK-WIKKSFEZSA-N 0 0 514.571 4.610 1 0 biogenic,in-vitro KJAFRN O=C(NCCCN1CCCC1=O)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372489 562071418 /nfs/dbraw/zinc/07/14/18/562071418.db2.gz YPOHNWIPWIEUFZ-QCENPCRXSA-N 0 0 686.095 4.843 1 0 KJAFRN O=C(NCCCN1CCCC1=O)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372490 562071442 /nfs/dbraw/zinc/07/14/42/562071442.db2.gz YPOHNWIPWIEUFZ-IZEXYCQBSA-N 0 0 686.095 4.843 1 0 KJAFRN O=C(NCCc1c[nH]cn1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372491 562071370 /nfs/dbraw/zinc/07/13/70/562071370.db2.gz HQHGMTIPVQADEA-LMSSTIIKSA-N 0 0 655.041 4.796 1 0 KJAFRN O=C(NCCc1c[nH]cn1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372492 562071438 /nfs/dbraw/zinc/07/14/38/562071438.db2.gz HQHGMTIPVQADEA-YTMVLYRLSA-N 0 0 655.041 4.796 1 0 KJAFRN COC(=O)CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000038372501 562071444 /nfs/dbraw/zinc/07/14/44/562071444.db2.gz WPZXABAVFMGYIS-JTSJOTPCSA-N 0 0 669.020 4.643 1 0 KJAFRN CC(=O)CCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000038372502 562071400 /nfs/dbraw/zinc/07/14/00/562071400.db2.gz SWZGYZRZEHXDAJ-BHBYDHKZSA-N 0 0 638.994 4.669 1 0 KJAFRN O=C(NCCO)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377655 562071627 /nfs/dbraw/zinc/07/16/27/562071627.db2.gz RWPFTTITCVNHHF-VXKWHMMOSA-N 0 0 624.262 4.583 1 0 KJAFRN C[N@@H+]1CCCN(c2ccc(C(=O)Nc3c([O-])cc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000038385033 562071687 /nfs/dbraw/zinc/07/16/87/562071687.db2.gz NPXOVTDQSPOCHS-UHFFFAOYSA-N 0 0 514.413 4.741 1 0 KJAFRN CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3cccc(OC)c3)c2)C1=O ZINC000038457316 562072075 /nfs/dbraw/zinc/07/20/75/562072075.db2.gz SHXZNEHEOWWDFY-IARZGTGTSA-N 0 0 521.702 4.923 1 0 KJAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)C(C)=O)CC4)cc2)CC3)cc1 ZINC000038662545 562072149 /nfs/dbraw/zinc/07/21/49/562072149.db2.gz AJMGKROUUUTGFK-UHFFFAOYSA-N 0 0 512.532 4.613 1 0 KJAFRN OCCCCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1 ZINC000038912853 562072384 /nfs/dbraw/zinc/07/23/84/562072384.db2.gz JVAMNJLTGODTQY-UHFFFAOYSA-N 0 0 504.250 4.687 1 0 KJAFRN O=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@](O)(c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1 ZINC000038995990 562072692 /nfs/dbraw/zinc/07/26/92/562072692.db2.gz ZFOBYPBSJINJKI-VAVYLYDRSA-N 0 0 546.986 4.763 1 0 in-vitro KJAFRN Cn1cncc1[C@](O)(c1cc2cc(C(=O)NN3CCOCC3)cc(-c3ccccc3)c2o1)c1ccc(Cl)cc1 ZINC000039029984 562072720 /nfs/dbraw/zinc/07/27/20/562072720.db2.gz DEXSDZQNSUQUAY-PMERELPUSA-N 0 0 543.023 4.748 1 0 in-vitro KJAFRN CCOc1nc(N[C@@H](Cc2ccc3c(c2)COC(C)(C)O3)C(=O)NC)nc(-n2cnc3ccc(C(=O)N4CCCc5ccccc54)cc32)n1 ZINC000039287486 562072974 /nfs/dbraw/zinc/07/29/74/562072974.db2.gz IIOQBYZRVQSNSJ-MHZLTWQESA-N 0 0 662.751 4.617 1 0 in-vitro KJAFRN COc1cc(-c2nc(N(C)Cc3ccccc3)ncc2C(=O)NCCOc2ccccc2)cc(OC)c1OC ZINC000040379037 562073324 /nfs/dbraw/zinc/07/33/24/562073324.db2.gz PPXZFMRUTAQVCT-UHFFFAOYSA-N 0 0 528.609 4.615 1 0 KJAFRN O=c1cccc(-c2cccc3c2S(=O)(=O)N=C3c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)[nH]1 ZINC000040379947 562073456 /nfs/dbraw/zinc/07/34/56/562073456.db2.gz RZQLYLWEZQKTSV-UHFFFAOYSA-N 0 0 511.534 4.565 1 0 KJAFRN O=C(Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1)c1cn(CCO)cc(-c2ccc(F)cc2)c1=O ZINC000040380273 562073473 /nfs/dbraw/zinc/07/34/73/562073473.db2.gz QBTATHILVDSJQY-UHFFFAOYSA-N 0 0 502.477 4.707 1 0 KJAFRN CC(=O)OCn1cc(CCNc2ncnc3ccsc32)s/c1=N\C(=O)Nc1cccc(Cl)c1 ZINC000040392973 562073820 /nfs/dbraw/zinc/07/38/20/562073820.db2.gz QQQVUCKIHWRKPN-MEFGMAGPSA-N 0 0 503.009 4.516 1 0 KJAFRN COCCN(C(=O)COCc1ccccc1)[C@@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040392998 562073810 /nfs/dbraw/zinc/07/38/10/562073810.db2.gz LLBRWVMYXVTZHI-XDFJSJKPSA-N 0 0 511.666 4.637 1 0 KJAFRN COCCN(C(=O)COCc1ccccc1)[C@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040392999 562073902 /nfs/dbraw/zinc/07/39/02/562073902.db2.gz LLBRWVMYXVTZHI-CDZUIXILSA-N 0 0 511.666 4.637 1 0 KJAFRN COCCN(C(=O)COCc1ccccc1)[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040393000 562073940 /nfs/dbraw/zinc/07/39/40/562073940.db2.gz LLBRWVMYXVTZHI-XLJNKUFUSA-N 0 0 511.666 4.637 1 0 KJAFRN COCCN(C(=O)COCc1ccccc1)[C@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040393001 562073947 /nfs/dbraw/zinc/07/39/47/562073947.db2.gz LLBRWVMYXVTZHI-BHYZAODMSA-N 0 0 511.666 4.637 1 0 KJAFRN CCCC[C@H](Sc1nc2ccc(C)cc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040393032 562073980 /nfs/dbraw/zinc/07/39/80/562073980.db2.gz RMMILUWUUFJOHL-QHCPKHFHSA-N 0 0 527.090 4.722 1 0 KJAFRN CCCC[C@@H](Sc1nc2ccc(C)cc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040393033 562073932 /nfs/dbraw/zinc/07/39/32/562073932.db2.gz RMMILUWUUFJOHL-HSZRJFAPSA-N 0 0 527.090 4.722 1 0 KJAFRN COc1ccc(OCCOCc2ccccc2)c(CCNC(=S)Nc2ccc(Br)cn2)c1 ZINC000040393472 562073951 /nfs/dbraw/zinc/07/39/51/562073951.db2.gz ARMGMGUBPXMOJC-UHFFFAOYSA-N 0 0 516.461 4.977 1 0 KJAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)([C@@H]2CCCC[C@@H]2OC(C)=O)CC1 ZINC000040393566 562074115 /nfs/dbraw/zinc/07/41/15/562074115.db2.gz URWCNLOVLPGZBN-IRLDBZIGSA-N 0 0 533.518 4.667 1 0 KJAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)([C@H]2CCCC[C@@H]2OC(C)=O)CC1 ZINC000040393567 562074125 /nfs/dbraw/zinc/07/41/25/562074125.db2.gz URWCNLOVLPGZBN-UNMCSNQZSA-N 0 0 533.518 4.667 1 0 KJAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)([C@@H]2CCCC[C@H]2OC(C)=O)CC1 ZINC000040393568 562074104 /nfs/dbraw/zinc/07/41/04/562074104.db2.gz URWCNLOVLPGZBN-IFMALSPDSA-N 0 0 533.518 4.667 1 0 KJAFRN CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)([C@H]2CCCC[C@H]2OC(C)=O)CC1 ZINC000040393569 562074126 /nfs/dbraw/zinc/07/41/26/562074126.db2.gz URWCNLOVLPGZBN-RBBKRZOGSA-N 0 0 533.518 4.667 1 0 KJAFRN Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCN(c4ncccn4)C3)CC2)nc1 ZINC000040395082 562074366 /nfs/dbraw/zinc/07/43/66/562074366.db2.gz NFQREKHBSNHJAN-UHFFFAOYSA-N 0 0 511.655 4.932 1 0 KJAFRN O=C(CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1)Nc1ccccc1 ZINC000040402136 562074717 /nfs/dbraw/zinc/07/47/17/562074717.db2.gz AONMDRYJJICQDP-FQEVSTJZSA-N 0 0 506.411 4.698 1 0 KJAFRN O=C(CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1)Nc1ccccc1 ZINC000040402139 562074721 /nfs/dbraw/zinc/07/47/21/562074721.db2.gz AONMDRYJJICQDP-HXUWFJFHSA-N 0 0 506.411 4.698 1 0 KJAFRN Cc1cc(C(=O)N2CCc3ccccc3-c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000040405302 562074980 /nfs/dbraw/zinc/07/49/80/562074980.db2.gz NWHIHMDECKPEOF-NDEPHWFRSA-N 0 0 510.638 4.627 1 0 KJAFRN O=C(c1c(F)cccc1F)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000040405650 562074951 /nfs/dbraw/zinc/07/49/51/562074951.db2.gz RIQGKHNRCBFUMZ-UHFFFAOYSA-N 0 0 500.910 4.863 1 0 KJAFRN O=C(c1cc(F)ccc1F)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000040405684 562074972 /nfs/dbraw/zinc/07/49/72/562074972.db2.gz BQMQJGVHVNPCRI-UHFFFAOYSA-N 0 0 500.910 4.863 1 0 KJAFRN COC(=O)c1cc(/C(=C/CCN2CCOC2=O)c2cc3c(OC)noc3c(C)c2)cc(Cl)c1OC ZINC000040405955 562074978 /nfs/dbraw/zinc/07/49/78/562074978.db2.gz AJRRTXQYKKWRDI-UBKPWBPPSA-N 0 0 500.935 4.867 1 0 KJAFRN O=C(c1ccc(F)c(F)c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000040406929 562075084 /nfs/dbraw/zinc/07/50/84/562075084.db2.gz OTTLVNWTEICPJM-UHFFFAOYSA-N 0 0 500.910 4.863 1 0 KJAFRN O=C(c1cccc(F)c1F)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000040409188 562075184 /nfs/dbraw/zinc/07/51/84/562075184.db2.gz XETMFMLIWWPUST-UHFFFAOYSA-N 0 0 500.910 4.863 1 0 KJAFRN O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000040412363 562075358 /nfs/dbraw/zinc/07/53/58/562075358.db2.gz UITKWEPMTYDTTM-UHFFFAOYSA-N 0 0 514.464 4.543 1 0 KJAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cccc(-c3ccccc3)c1)n2CCC(N)=O ZINC000040413032 562075476 /nfs/dbraw/zinc/07/54/76/562075476.db2.gz UCVYWHCLSDDWHR-UHFFFAOYSA-N 0 0 517.589 5.108 1 0 KJAFRN Cn1nc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12 ZINC000040413525 562075463 /nfs/dbraw/zinc/07/54/63/562075463.db2.gz ZTWYEISFWJJJTC-UHFFFAOYSA-N 0 0 511.626 4.586 1 0 KJAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ccc(C(=O)Nc2ccccc2)s1 ZINC000040420306 562075677 /nfs/dbraw/zinc/07/56/77/562075677.db2.gz RPSFIQJOUUTWRS-UHFFFAOYSA-N 0 0 519.627 4.797 1 0 KJAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)CC1CCCC1 ZINC000040421171 562075766 /nfs/dbraw/zinc/07/57/66/562075766.db2.gz SGUFQZKYBCMRLX-NZQKXSOJSA-N 0 0 513.601 4.583 1 0 KJAFRN CC(C)[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)CC1CCCC1 ZINC000040421173 562075731 /nfs/dbraw/zinc/07/57/31/562075731.db2.gz SGUFQZKYBCMRLX-REWPJTCUSA-N 0 0 513.601 4.583 1 0 KJAFRN CC(C)[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1 ZINC000040421175 562075703 /nfs/dbraw/zinc/07/57/03/562075703.db2.gz SGUFQZKYBCMRLX-OFNKIYASSA-N 0 0 513.601 4.583 1 0 KJAFRN Cc1ccc2c(c1)C(=O)N(CCOC(=S)N(C(=O)c1cccnc1Cl)c1ccc(Cl)cc1)C2=O ZINC000040421524 562075762 /nfs/dbraw/zinc/07/57/62/562075762.db2.gz WLMOSNQACXXDGX-UHFFFAOYSA-N 0 0 514.390 4.941 1 0 KJAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CCc1ccccc1)CC(=O)N1CCOCC1 ZINC000040422465 562076021 /nfs/dbraw/zinc/07/60/21/562076021.db2.gz JPFKZQDIUQZZNY-WIOPSUGQSA-N 0 0 535.607 4.636 1 0 KJAFRN CC(C)[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CCc1ccccc1)CC(=O)N1CCOCC1 ZINC000040422467 562075971 /nfs/dbraw/zinc/07/59/71/562075971.db2.gz JPFKZQDIUQZZNY-DHLKQENFSA-N 0 0 535.607 4.636 1 0 KJAFRN CC(C)[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 ZINC000040422469 562075979 /nfs/dbraw/zinc/07/59/79/562075979.db2.gz JPFKZQDIUQZZNY-RDGATRHJSA-N 0 0 535.607 4.636 1 0 KJAFRN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)CN1CCOCC1 ZINC000040422750 562076045 /nfs/dbraw/zinc/07/60/45/562076045.db2.gz BSONVSQDXXQBMI-GGAORHGYSA-N 0 0 528.662 4.859 1 0 KJAFRN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@H](O)CN1CCOCC1 ZINC000040422752 562075984 /nfs/dbraw/zinc/07/59/84/562075984.db2.gz BSONVSQDXXQBMI-FYYLOGMGSA-N 0 0 528.662 4.859 1 0 KJAFRN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)CN1CCOCC1 ZINC000040422754 562075947 /nfs/dbraw/zinc/07/59/47/562075947.db2.gz BSONVSQDXXQBMI-GMAHTHKFSA-N 0 0 528.662 4.859 1 0 KJAFRN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SC[C@@H](O)CN1CCOCC1 ZINC000040422756 562075963 /nfs/dbraw/zinc/07/59/63/562075963.db2.gz BSONVSQDXXQBMI-JTHBVZDNSA-N 0 0 528.662 4.859 1 0 KJAFRN CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)CC1CCCC1 ZINC000040423134 562076154 /nfs/dbraw/zinc/07/61/54/562076154.db2.gz UVFDJIMGWCMLGE-UNMCSNQZSA-N 0 0 513.601 4.727 1 0 KJAFRN CCC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)CC1CCCC1 ZINC000040423135 562076170 /nfs/dbraw/zinc/07/61/70/562076170.db2.gz UVFDJIMGWCMLGE-RBBKRZOGSA-N 0 0 513.601 4.727 1 0 KJAFRN CCC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1 ZINC000040423136 562076129 /nfs/dbraw/zinc/07/61/29/562076129.db2.gz UVFDJIMGWCMLGE-IFMALSPDSA-N 0 0 513.601 4.727 1 0 KJAFRN COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)Nc2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)cc1OC ZINC000040423242 562076172 /nfs/dbraw/zinc/07/61/72/562076172.db2.gz HLOMNYUFQZGWNQ-LWMHEAGWSA-N 0 0 515.610 4.876 1 0 KJAFRN O=C(OC[C@]1(CO)C/C(=C/c2ccc(Br)cc2)C(=O)O1)C(c1ccccc1)c1ccccc1 ZINC000040423338 562076150 /nfs/dbraw/zinc/07/61/50/562076150.db2.gz LLZBKXOZELRSNU-IUVLWKGXSA-N 0 0 507.380 4.886 1 0 KJAFRN O=C(OC[C@@]1(CO)C/C(=C/c2ccc(Br)cc2)C(=O)O1)C(c1ccccc1)c1ccccc1 ZINC000040423339 562076144 /nfs/dbraw/zinc/07/61/44/562076144.db2.gz LLZBKXOZELRSNU-PJCRJCBDSA-N 0 0 507.380 4.886 1 0 KJAFRN O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CCN3CCOCC3)c1cc2-c1c(Cl)cccc1Cl ZINC000040423669 562076313 /nfs/dbraw/zinc/07/63/13/562076313.db2.gz CHWPHNBDPFZHBI-UHFFFAOYSA-N 0 0 510.377 4.690 1 0 KJAFRN CO[N-]C(=O)c1cn(C2CCC(C)(C)CC2)c2nc(Nc3ccc(C4CC[NH+](C)CC4)cc3)ncc2c1=O ZINC000040423726 562076341 /nfs/dbraw/zinc/07/63/41/562076341.db2.gz BLPRVVANGCJDCH-UHFFFAOYSA-N 0 0 518.662 4.777 1 0 KJAFRN CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CCc1ccccc1)CC(=O)N1CCOCC1 ZINC000040423885 562076333 /nfs/dbraw/zinc/07/63/33/562076333.db2.gz FRWFRVDFCQYHLJ-UPVQGACJSA-N 0 0 535.607 4.780 1 0 KJAFRN CCC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CCc1ccccc1)CC(=O)N1CCOCC1 ZINC000040423886 562076281 /nfs/dbraw/zinc/07/62/81/562076281.db2.gz FRWFRVDFCQYHLJ-LADGPHEKSA-N 0 0 535.607 4.780 1 0 KJAFRN CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 ZINC000040423887 562076347 /nfs/dbraw/zinc/07/63/47/562076347.db2.gz FRWFRVDFCQYHLJ-VWNXMTODSA-N 0 0 535.607 4.780 1 0 KJAFRN CCC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 ZINC000040423888 562076319 /nfs/dbraw/zinc/07/63/19/562076319.db2.gz FRWFRVDFCQYHLJ-ISKFKSNPSA-N 0 0 535.607 4.780 1 0 KJAFRN CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccc[nH]3)cc2C(=O)Nc2ccc(C(N)=[NH2+])cc2)c(C(=O)[O-])c1 ZINC000040428757 562076621 /nfs/dbraw/zinc/07/66/21/562076621.db2.gz XTUJNPODMRCIHC-UHFFFAOYSA-N 0 0 523.593 4.969 1 0 KJAFRN CN(Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O)c1ccccc1 ZINC000040428896 562076593 /nfs/dbraw/zinc/07/65/93/562076593.db2.gz DYHYRTFULZNMOR-UHFFFAOYSA-N 0 0 500.628 5.148 1 0 KJAFRN O=c1[nH]c(=O)c2c([nH]1)Nc1c(c(-c3ccccc3)nn1-c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000040429558 562076773 /nfs/dbraw/zinc/07/67/73/562076773.db2.gz PZNCTBLKMALIJE-LJQANCHMSA-N 0 0 512.367 4.916 1 0 KJAFRN O=c1[nH]c(=O)c2c([nH]1)Nc1c(c(-c3ccccc3)nn1-c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000040429560 562076769 /nfs/dbraw/zinc/07/67/69/562076769.db2.gz PZNCTBLKMALIJE-IBGZPJMESA-N 0 0 512.367 4.916 1 0 KJAFRN COc1cc(-c2nc(NCCc3ccccc3)ncc2C(=O)NCCOc2ccccc2)cc(OC)c1OC ZINC000040430790 562076898 /nfs/dbraw/zinc/07/68/98/562076898.db2.gz GDFKHFCBPOXZML-UHFFFAOYSA-N 0 0 528.609 4.633 1 0 KJAFRN Cn1c(-c2ccc(-n3ccnc3S(C)(=O)=O)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000040431126 562076845 /nfs/dbraw/zinc/07/68/45/562076845.db2.gz DZZBSMMXPNPOMM-UHFFFAOYSA-N 0 0 502.427 4.848 1 0 KJAFRN C[C@@](O)(C(=O)Nc1ccc(N(CC2CC2)S(=O)(=O)c2ccccc2Cl)cc1Cl)C(F)(F)F ZINC000040431299 562076844 /nfs/dbraw/zinc/07/68/44/562076844.db2.gz BFQFDUADWFMIBS-LJQANCHMSA-N 0 0 511.349 4.851 1 0 KJAFRN C[C@](O)(C(=O)Nc1ccc(N(CC2CC2)S(=O)(=O)c2ccccc2Cl)cc1Cl)C(F)(F)F ZINC000040431301 562076893 /nfs/dbraw/zinc/07/68/93/562076893.db2.gz BFQFDUADWFMIBS-IBGZPJMESA-N 0 0 511.349 4.851 1 0 KJAFRN CCOP(=O)(OCC)C(CCC(=O)c1cccc(NS(C)(=O)=O)c1)P(=O)(OCC)OCC ZINC000040464985 562077144 /nfs/dbraw/zinc/07/71/44/562077144.db2.gz KOROCONWMQEXEE-UHFFFAOYSA-N 0 0 513.486 4.879 1 0 KJAFRN c1ccc2c(c1)C1=N[C@H]3N[C@@H](N=C4N=C(NC5=NC(=NC2=N1)c1ccccc15)c1ccccc14)c1ccccc13 ZINC000040465242 562077177 /nfs/dbraw/zinc/07/71/77/562077177.db2.gz BAAXGDIYTOVABV-WMPKNSHKSA-N 0 0 516.568 4.511 1 0 KJAFRN CC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000040465656 562077166 /nfs/dbraw/zinc/07/71/66/562077166.db2.gz GGXLVGPUODIYTF-RUZDIDTESA-N 0 0 508.626 4.934 1 0 KJAFRN COc1ccccc1N1CCN(CC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)C4=CC[C@@]32C)CC1 ZINC000040467004 562077311 /nfs/dbraw/zinc/07/73/11/562077311.db2.gz TZTMJQMNXGCUIC-ISQQEVBHSA-N 0 0 518.698 4.569 1 0 KJAFRN COc1ccccc1N1CCN(CC(=O)[C@@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)C4=CC[C@@]32C)CC1 ZINC000040467005 562077293 /nfs/dbraw/zinc/07/72/93/562077293.db2.gz TZTMJQMNXGCUIC-KCUVZTGRSA-N 0 0 518.698 4.569 1 0 KJAFRN COc1ccccc1N1CCN(CC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)C4=CC[C@@]32C)CC1 ZINC000040467006 562077349 /nfs/dbraw/zinc/07/73/49/562077349.db2.gz TZTMJQMNXGCUIC-PGAJBLAKSA-N 0 0 518.698 4.569 1 0 KJAFRN COc1ccccc1N1CCN(CC(=O)[C@@]2(O)CC[C@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)C4=CC[C@@]32C)CC1 ZINC000040467007 562077317 /nfs/dbraw/zinc/07/73/17/562077317.db2.gz TZTMJQMNXGCUIC-PVFWIAAQSA-N 0 0 518.698 4.569 1 0 KJAFRN COC(=O)c1c(-c2ccc(OC)c(OC)c2O)c(-c2cccc(O)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000040565146 562077940 /nfs/dbraw/zinc/07/79/40/562077940.db2.gz OFMZIZXLQRDZSX-UHFFFAOYSA-N 0 0 517.534 4.974 1 0 KJAFRN CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)C)o1 ZINC000040566769 562078007 /nfs/dbraw/zinc/07/80/07/562078007.db2.gz BIEDNGLUYFVOFK-SFHVURJKSA-N 0 0 524.540 4.692 1 0 KJAFRN C=C(C(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1 ZINC000040640794 562078717 /nfs/dbraw/zinc/07/87/17/562078717.db2.gz GGOZMQZHIAEMOE-DEOSSOPVSA-N 0 0 511.615 4.681 1 0 KJAFRN C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl ZINC000040651374 562078800 /nfs/dbraw/zinc/07/88/00/562078800.db2.gz MCMFCFJBMGDFKH-MATAKCBSSA-N 0 0 504.982 4.600 1 0 KJAFRN C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl ZINC000040651503 562078806 /nfs/dbraw/zinc/07/88/06/562078806.db2.gz WOFMFGQZHJDGCX-HICZLOISSA-N 0 0 521.437 4.869 1 0 KJAFRN CCOc1ccc(C2=NN(c3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCC ZINC000040655955 562078811 /nfs/dbraw/zinc/07/88/11/562078811.db2.gz WXBVDTBUOVXWKY-CDNPAEQRSA-N 0 0 500.599 4.677 1 0 KJAFRN C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccoc1)C(=O)CCl ZINC000040724134 562079239 /nfs/dbraw/zinc/07/92/39/562079239.db2.gz NWYQZMMKNLPECF-XMHXBPIJSA-N 0 0 504.982 4.600 1 0 KJAFRN Cc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1CCN1CCOCC1 ZINC000040764268 562079594 /nfs/dbraw/zinc/07/95/94/562079594.db2.gz QGGGRLPYOQYBBT-UHFFFAOYSA-N 0 0 506.031 4.758 1 0 KJAFRN C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccoc1)C(=O)CCl ZINC000040786093 562079728 /nfs/dbraw/zinc/07/97/28/562079728.db2.gz NWYQZMMKNLPECF-LTSBWAHFSA-N 0 0 504.982 4.600 1 0 KJAFRN CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cc2sc(Br)c(Br)c2[nH]1 ZINC000040810640 562079856 /nfs/dbraw/zinc/07/98/56/562079856.db2.gz MKMOJTIDQRJACE-ZDUSSCGKSA-N 0 0 513.255 4.526 1 0 KJAFRN CCCc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1 ZINC000040810649 562079850 /nfs/dbraw/zinc/07/98/50/562079850.db2.gz HEKOGNYDDZRAAJ-UHFFFAOYSA-N 0 0 529.516 4.918 1 0 KJAFRN C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl ZINC000040818359 562079927 /nfs/dbraw/zinc/07/99/27/562079927.db2.gz MCMFCFJBMGDFKH-HICZLOISSA-N 0 0 504.982 4.600 1 0 KJAFRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2Cc2ccccc2)cc1 ZINC000040836399 562080139 /nfs/dbraw/zinc/08/01/39/562080139.db2.gz ZXWKLDPVWCOSPX-QGZVFWFLSA-N 0 0 506.550 4.766 1 0 KJAFRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2Cc2ccccc2)cc1 ZINC000040836401 562080112 /nfs/dbraw/zinc/08/01/12/562080112.db2.gz ZXWKLDPVWCOSPX-KRWDZBQOSA-N 0 0 506.550 4.766 1 0 KJAFRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000040836649 562080127 /nfs/dbraw/zinc/08/01/27/562080127.db2.gz KHZUPOISLJLSGG-GDLZYMKVSA-N 0 0 509.602 4.939 1 0 KJAFRN COc1cc(-c2nc(NCc3ccccc3C)ncc2C(=O)NCCOc2ccccc2)cc(OC)c1OC ZINC000040845803 562080307 /nfs/dbraw/zinc/08/03/07/562080307.db2.gz ZBOZUWKYQJFQMH-UHFFFAOYSA-N 0 0 528.609 4.899 1 0 KJAFRN COc1cc(-c2nc(NCc3ccccc3)ncc2C(=O)NCCOc2ccccc2)cc(OC)c1OC ZINC000040846434 562080299 /nfs/dbraw/zinc/08/02/99/562080299.db2.gz KIUIPBXOOFZATE-UHFFFAOYSA-N 0 0 514.582 4.590 1 0 KJAFRN Cc1cccc(C)c1/C=C/n1cnc2c1nc(N1CCN(C)CC1)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040846486 562080274 /nfs/dbraw/zinc/08/02/74/562080274.db2.gz LHZOGDYGAMOXIH-BUHFOSPRSA-N 0 0 515.602 4.814 1 0 KJAFRN CCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(-c2ccc(OC)nc2OC)n1 ZINC000040847508 562080448 /nfs/dbraw/zinc/08/04/48/562080448.db2.gz DPISCHMOAFKKEG-UHFFFAOYSA-N 0 0 512.610 4.996 1 0 KJAFRN COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c(OC)c1 ZINC000040848137 562080505 /nfs/dbraw/zinc/08/05/05/562080505.db2.gz ZXGJJZIRULRQCO-UHFFFAOYSA-N 0 0 505.596 4.873 1 0 KJAFRN COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1cccc(Br)c1 ZINC000040848226 562080520 /nfs/dbraw/zinc/08/05/20/562080520.db2.gz HTTQXFNNULAJHM-GIPWTMENSA-N 0 0 500.773 4.611 1 0 KJAFRN COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)c1 ZINC000040848372 562080556 /nfs/dbraw/zinc/08/05/56/562080556.db2.gz BPXNOWQWXUQATD-UHFFFAOYSA-N 0 0 505.596 4.873 1 0 KJAFRN Cc1cccc(C)c1/C=C/n1cnc2c1nc(N1CCOCC1)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040849092 562080539 /nfs/dbraw/zinc/08/05/39/562080539.db2.gz VWBZVMZFOBZQTD-OUKQBFOZSA-N 0 0 502.559 4.899 1 0 KJAFRN CCCC[C@H](Sc1nc2c(C)cccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040849238 562080694 /nfs/dbraw/zinc/08/06/94/562080694.db2.gz NMVKVCNSEJEHAS-QFIPXVFZSA-N 0 0 527.090 4.722 1 0 KJAFRN CCCC[C@@H](Sc1nc2c(C)cccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040849240 562080690 /nfs/dbraw/zinc/08/06/90/562080690.db2.gz NMVKVCNSEJEHAS-JOCHJYFZSA-N 0 0 527.090 4.722 1 0 KJAFRN Nc1nc(Cc2ccc(OCc3ccccc3)cc2)cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000040860659 562080696 /nfs/dbraw/zinc/08/06/96/562080696.db2.gz XSSTVQAZRPDTGX-UHFFFAOYSA-N 0 0 522.605 4.977 1 0 KJAFRN CCCC(=O)Oc1cc(-c2oc3cc(OC)c(OC)c(OC(=O)CCC)c3c(=O)c2OC)ccc1OC ZINC000040861708 291860826 /nfs/dbraw/zinc/86/08/26/291860826.db2.gz WEPRDNVSYAUHGJ-UHFFFAOYSA-N 0 0 514.527 4.905 1 0 biogenic,in-vitro KJAFRN CCCC[C@H](Sc1nc2cccc(C)c2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040862870 562080891 /nfs/dbraw/zinc/08/08/91/562080891.db2.gz IUJIPOBUJIZKQO-QFIPXVFZSA-N 0 0 527.090 4.722 1 0 KJAFRN CCCC[C@@H](Sc1nc2cccc(C)c2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040862872 562080928 /nfs/dbraw/zinc/08/09/28/562080928.db2.gz IUJIPOBUJIZKQO-JOCHJYFZSA-N 0 0 527.090 4.722 1 0 KJAFRN CCOC(=O)CNP(=O)(COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1)NCC(=O)OCC ZINC000040862918 562080898 /nfs/dbraw/zinc/08/08/98/562080898.db2.gz RVJGYOMSTLCJBV-UHFFFAOYSA-N 0 0 534.590 4.558 1 0 KJAFRN CCCC[C@H](Sc1nc2cc(C)ccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040863184 562080930 /nfs/dbraw/zinc/08/09/30/562080930.db2.gz XCYMPJXSFBHPNA-QHCPKHFHSA-N 0 0 527.090 4.722 1 0 KJAFRN CCCC[C@@H](Sc1nc2cc(C)ccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000040863186 562080892 /nfs/dbraw/zinc/08/08/92/562080892.db2.gz XCYMPJXSFBHPNA-HSZRJFAPSA-N 0 0 527.090 4.722 1 0 KJAFRN COCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040864032 562081120 /nfs/dbraw/zinc/08/11/20/562081120.db2.gz OLJGWSMIBZZDKN-XDFJSJKPSA-N 0 0 511.666 4.672 1 0 KJAFRN COCCN(C(=O)Cc1cccc(OC)c1)[C@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040864034 562081133 /nfs/dbraw/zinc/08/11/33/562081133.db2.gz OLJGWSMIBZZDKN-CDZUIXILSA-N 0 0 511.666 4.672 1 0 KJAFRN COCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040864036 562081154 /nfs/dbraw/zinc/08/11/54/562081154.db2.gz OLJGWSMIBZZDKN-XLJNKUFUSA-N 0 0 511.666 4.672 1 0 KJAFRN COCCN(C(=O)Cc1cccc(OC)c1)[C@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040864038 562081180 /nfs/dbraw/zinc/08/11/80/562081180.db2.gz OLJGWSMIBZZDKN-BHYZAODMSA-N 0 0 511.666 4.672 1 0 KJAFRN O=c1ccc(-c2cccc3c2S(=O)(=O)N=C3c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c[nH]1 ZINC000040875270 562082034 /nfs/dbraw/zinc/08/20/34/562082034.db2.gz FQDXWHYDYDNVKD-UHFFFAOYSA-N 0 0 511.534 4.565 1 0 KJAFRN Cc1cc(NC(=O)CN2CCN(C)CC2)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1 ZINC000040876685 562082178 /nfs/dbraw/zinc/08/21/78/562082178.db2.gz MLJMQLCYEUSRKR-UHFFFAOYSA-N 0 0 501.418 4.680 1 0 KJAFRN Cc1cc(NC(=O)CN2CCN(C)CC2)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2n1 ZINC000040876688 562082182 /nfs/dbraw/zinc/08/21/82/562082182.db2.gz GRVVAUJTWQMLNM-UHFFFAOYSA-N 0 0 501.418 4.680 1 0 KJAFRN CC(C)CC[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000040877004 562082322 /nfs/dbraw/zinc/08/23/22/562082322.db2.gz XCDONWZWXBVHNA-WWUMMRACSA-N 0 0 545.765 4.879 1 0 KJAFRN CC(C)CC[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000040877009 562082263 /nfs/dbraw/zinc/08/22/63/562082263.db2.gz XCDONWZWXBVHNA-WOTGAKFBSA-N 0 0 545.765 4.879 1 0 KJAFRN CC(C)(C)NC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc32)ncn1 ZINC000040877162 562082312 /nfs/dbraw/zinc/08/23/12/562082312.db2.gz JISXMAUKSAFECY-UHFFFAOYSA-N 0 0 513.480 4.693 1 0 KJAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N5CCCC5=O)CC4)cc2)CC3)cc1 ZINC000040879627 562082449 /nfs/dbraw/zinc/08/24/49/562082449.db2.gz CLVYUBZXTSOEGO-UHFFFAOYSA-N 0 0 510.516 4.714 1 0 KJAFRN Nc1nc(O[C@@H](c2sccc2-c2ccco2)C(F)(F)F)cc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1 ZINC000040891569 562082555 /nfs/dbraw/zinc/08/25/55/562082555.db2.gz MCBFYQXJYBEXHO-YWZLYKJASA-N 0 0 504.490 4.684 1 0 KJAFRN Nc1nc(O[C@H](c2sccc2-c2ccco2)C(F)(F)F)cc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1 ZINC000040891570 562082646 /nfs/dbraw/zinc/08/26/46/562082646.db2.gz MCBFYQXJYBEXHO-MGPUTAFESA-N 0 0 504.490 4.684 1 0 KJAFRN COC(=O)[C@H](C(=O)N1CCCCC1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891812 562082705 /nfs/dbraw/zinc/08/27/05/562082705.db2.gz PFICJFAWSMHIBP-PKTZIBPZSA-N 0 0 511.416 4.940 1 0 KJAFRN COC(=O)[C@H](C(=O)N1CCCCC1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891813 562082733 /nfs/dbraw/zinc/08/27/33/562082733.db2.gz PFICJFAWSMHIBP-GOTSBHOMSA-N 0 0 511.416 4.940 1 0 KJAFRN COC(=O)[C@@H](C(=O)N1CCCCC1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891814 562082706 /nfs/dbraw/zinc/08/27/06/562082706.db2.gz PFICJFAWSMHIBP-DHIUTWEWSA-N 0 0 511.416 4.940 1 0 KJAFRN COC(=O)[C@@H](C(=O)N1CCCCC1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000040891815 562082692 /nfs/dbraw/zinc/08/26/92/562082692.db2.gz PFICJFAWSMHIBP-XZOQPEGZSA-N 0 0 511.416 4.940 1 0 KJAFRN Cn1c2ccccc2nc1N(Cc1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000040893261 562082913 /nfs/dbraw/zinc/08/29/13/562082913.db2.gz VXTYNEMWNNCRQD-UHFFFAOYSA-N 0 0 508.464 4.576 1 0 KJAFRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2cccc3c(Cl)nccc32)CC1 ZINC000040896035 562083015 /nfs/dbraw/zinc/08/30/15/562083015.db2.gz JTKQCTDHXYKWRI-UHFFFAOYSA-N 0 0 512.846 4.912 1 0 KJAFRN CCNC(=O)N1CCC2(C1)CCN(c1ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn1)CC2 ZINC000040896330 562083048 /nfs/dbraw/zinc/08/30/48/562083048.db2.gz UZFJLATVXCCZGS-UHFFFAOYSA-N 0 0 504.660 4.666 1 0 KJAFRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000040896863 562083140 /nfs/dbraw/zinc/08/31/40/562083140.db2.gz NMQGUUYOBCYNND-UHFFFAOYSA-N 0 0 512.278 4.535 1 0 KJAFRN O=C(c1cc(F)cc(F)c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000040900057 562083393 /nfs/dbraw/zinc/08/33/93/562083393.db2.gz ADMLPJCORPUTMR-UHFFFAOYSA-N 0 0 500.910 4.863 1 0 KJAFRN COCCCN(Cc1ccccc1-c1ccc(CN2CCN(C(C)=O)CC2)cc1)C(=O)Cc1ccccc1 ZINC000040901051 562083551 /nfs/dbraw/zinc/08/35/51/562083551.db2.gz XWWNTIGKCRVAOW-UHFFFAOYSA-N 0 0 513.682 4.626 1 0 KJAFRN O=C(c1ccc(F)cc1F)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000040913775 562083652 /nfs/dbraw/zinc/08/36/52/562083652.db2.gz CLFKHXUQJJZTFK-UHFFFAOYSA-N 0 0 500.910 4.863 1 0 KJAFRN CCCCCCNC(=O)CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCCCC ZINC000040913811 562083624 /nfs/dbraw/zinc/08/36/24/562083624.db2.gz RYZXTLZAIMGNES-FQEVSTJZSA-N 0 0 522.539 4.814 1 0 KJAFRN CCCCCCNC(=O)CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCCCC ZINC000040913813 562083656 /nfs/dbraw/zinc/08/36/56/562083656.db2.gz RYZXTLZAIMGNES-HXUWFJFHSA-N 0 0 522.539 4.814 1 0 KJAFRN S=C1N=NC(CO[C@@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)N1c1ccccc1 ZINC000040915198 562083915 /nfs/dbraw/zinc/08/39/15/562083915.db2.gz LEBLAZFVJYLAIE-QFIPXVFZSA-N 0 0 504.019 4.745 1 0 KJAFRN S=C1N=NC(CO[C@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)N1c1ccccc1 ZINC000040915200 562083921 /nfs/dbraw/zinc/08/39/21/562083921.db2.gz LEBLAZFVJYLAIE-JOCHJYFZSA-N 0 0 504.019 4.745 1 0 KJAFRN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(C3CC3)cc(C(F)(F)F)c2)CC1 ZINC000040916213 562083971 /nfs/dbraw/zinc/08/39/71/562083971.db2.gz DVPAFQJRBKXLSG-UHFFFAOYSA-N 0 0 520.495 4.677 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)Nc2cccc(F)c2C)cc1 ZINC000040916711 562083960 /nfs/dbraw/zinc/08/39/60/562083960.db2.gz JBRKXSCMWDSZQF-WUFINQPMSA-N 0 0 514.663 4.874 1 0 KJAFRN COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccc(O)cc3)c3c1[C@H](C2)N(C)CC3 ZINC000040917313 562084159 /nfs/dbraw/zinc/08/41/59/562084159.db2.gz NTOCQSSEFWOMSC-DDVUFSRBSA-N 0 0 530.621 4.508 1 0 KJAFRN COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccc(O)cc3)c3c1[C@@H](C2)N(C)CC3 ZINC000040917315 562084133 /nfs/dbraw/zinc/08/41/33/562084133.db2.gz NTOCQSSEFWOMSC-NOENIZQJSA-N 0 0 530.621 4.508 1 0 KJAFRN COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccccc3O)c3c1[C@H](C2)N(C)CC3 ZINC000040917358 562084080 /nfs/dbraw/zinc/08/40/80/562084080.db2.gz PKGYRTRTTHPMHR-YSESTWPTSA-N 0 0 530.621 4.508 1 0 KJAFRN COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CNC(=O)/C=C/c3ccccc3O)c3c1[C@@H](C2)N(C)CC3 ZINC000040917360 562084104 /nfs/dbraw/zinc/08/41/04/562084104.db2.gz PKGYRTRTTHPMHR-BREAQWACSA-N 0 0 530.621 4.508 1 0 KJAFRN CC[C@@]1(OC)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000040917452 562084143 /nfs/dbraw/zinc/08/41/43/562084143.db2.gz QVKGISUQQTYAHS-ATIYNZHBSA-N 0 0 512.969 4.670 1 0 KJAFRN CC1=CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)[C@]4(O)CC[C@@]32CO4)[C@@]12Oc1cc(-c3cccnc3)oc(=O)c1[C@@H]2O ZINC000040918092 562084180 /nfs/dbraw/zinc/08/41/80/562084180.db2.gz TWFKYYSBMIGIGV-SCBNGLQJSA-N 0 0 505.611 4.774 1 0 KJAFRN CCCCc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1 ZINC000040918184 562084182 /nfs/dbraw/zinc/08/41/82/562084182.db2.gz CABJHICCVKXTFT-UHFFFAOYSA-N 0 0 512.639 4.857 1 0 KJAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccc3)s1)n2CCC(N)=O ZINC000040934133 562084777 /nfs/dbraw/zinc/08/47/77/562084777.db2.gz DWICUERZWRWRJK-UHFFFAOYSA-N 0 0 523.618 5.169 1 0 KJAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)[C@H](c3ccccc3)C1)C(=O)C2 ZINC000040934249 562084757 /nfs/dbraw/zinc/08/47/57/562084757.db2.gz PYEUKTUKBXVHAV-FZOAFFARSA-N 0 0 521.605 4.689 1 0 KJAFRN CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(CCOC)CC1 ZINC000040934324 562084743 /nfs/dbraw/zinc/08/47/43/562084743.db2.gz YQJPMDHVMJQUKV-UHFFFAOYSA-N 0 0 518.445 4.551 1 0 KJAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccccc3)cc1)n2CCC(N)=O ZINC000040935213 562085005 /nfs/dbraw/zinc/08/50/05/562085005.db2.gz OVAXMETXFSJZJR-UHFFFAOYSA-N 0 0 517.589 5.108 1 0 KJAFRN COC1CCN(c2cc3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c(C)c2)CC1 ZINC000040935287 562084997 /nfs/dbraw/zinc/08/49/97/562084997.db2.gz AZFITEALNSCCOH-HSZRJFAPSA-N 0 0 508.022 4.641 1 0 KJAFRN COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(-c4nn[nH]n4)s3)c2cc1OC ZINC000040936431 562085241 /nfs/dbraw/zinc/08/52/41/562085241.db2.gz UFVFOXCVVIBWKI-UHFFFAOYSA-N 0 0 502.478 4.882 1 0 KJAFRN COc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2ccc(F)c(F)c2)cc1OC ZINC000040937136 562085260 /nfs/dbraw/zinc/08/52/60/562085260.db2.gz MMZYWKXQSQDUIZ-UHFFFAOYSA-N 0 0 504.961 4.833 1 0 KJAFRN COc1cc(C2=N[C@@H](c3ccc(Cl)cc3F)C(C(=O)Nc3cc4c[nH]nc4cc3F)=C(C)N2)ccn1 ZINC000040937503 562085374 /nfs/dbraw/zinc/08/53/74/562085374.db2.gz TYHGSJHFMYWTNJ-QHCPKHFHSA-N 0 0 508.916 4.902 1 0 KJAFRN COc1cc(C2=N[C@H](c3ccc(Cl)cc3F)C(C(=O)Nc3cc4c[nH]nc4cc3F)=C(C)N2)ccn1 ZINC000040937505 562085413 /nfs/dbraw/zinc/08/54/13/562085413.db2.gz TYHGSJHFMYWTNJ-HSZRJFAPSA-N 0 0 508.916 4.902 1 0 KJAFRN COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCCCCCCCC(F)F ZINC000040938015 562085431 /nfs/dbraw/zinc/08/54/31/562085431.db2.gz YNDYWRFJZGWCJS-IBGZPJMESA-N 0 0 514.635 4.791 1 0 KJAFRN CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000040938246 562085546 /nfs/dbraw/zinc/08/55/46/562085546.db2.gz GRNHXZNKYAJKJN-XMMPIXPASA-N 0 0 534.726 4.668 1 0 KJAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000040938248 562085463 /nfs/dbraw/zinc/08/54/63/562085463.db2.gz GRNHXZNKYAJKJN-DEOSSOPVSA-N 0 0 534.726 4.668 1 0 KJAFRN CCOC(=O)c1ccc(NC(=O)CSc2snnc2-c2ccc(OC)cc2)c(Br)c1 ZINC000040938734 562085457 /nfs/dbraw/zinc/08/54/57/562085457.db2.gz LELYGIDKNBZPSD-UHFFFAOYSA-N 0 0 508.419 4.884 1 0 KJAFRN CCCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(Cl)cc1)n2CCC(N)=O ZINC000040939433 562085669 /nfs/dbraw/zinc/08/56/69/562085669.db2.gz GUHRTRNWIFORNU-UHFFFAOYSA-N 0 0 503.990 4.874 1 0 KJAFRN O=C(c1ccc(Cl)cc1)N(C(=S)OCCN1C(=O)[C@@H]2C=CC=C[C@@H]2C1=O)c1ccc(Cl)cc1 ZINC000040939763 562085682 /nfs/dbraw/zinc/08/56/82/562085682.db2.gz LIMKKQRCJXWRJA-BGYRXZFFSA-N 0 0 501.391 4.669 1 0 KJAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000040951628 562086137 /nfs/dbraw/zinc/08/61/37/562086137.db2.gz QOFIKIPUVAEFJX-XUZZJYLKSA-N 0 0 527.628 4.973 1 0 KJAFRN CC(C)[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000040951630 562086135 /nfs/dbraw/zinc/08/61/35/562086135.db2.gz QOFIKIPUVAEFJX-URXFXBBRSA-N 0 0 527.628 4.973 1 0 KJAFRN CC(C)[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000040951632 562086142 /nfs/dbraw/zinc/08/61/42/562086142.db2.gz QOFIKIPUVAEFJX-QPPBQGQZSA-N 0 0 527.628 4.973 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000040951810 562086166 /nfs/dbraw/zinc/08/61/66/562086166.db2.gz SGHBDLOMRUXKQF-FTJBHMTQSA-N 0 0 516.638 4.667 1 0 KJAFRN COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1OC ZINC000040952101 562086126 /nfs/dbraw/zinc/08/61/26/562086126.db2.gz FEXUIUKARXGGHJ-UXZSZYKQSA-N 0 0 523.536 4.538 1 0 KJAFRN COc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)cc3n(CCNC(C)=O)c2=O)cc1 ZINC000040953518 562086299 /nfs/dbraw/zinc/08/62/99/562086299.db2.gz FTECHNJBVQKRNG-UHFFFAOYSA-N 0 0 510.516 4.839 1 0 KJAFRN COc1ccc(-c2nc3cnc(NCc4ccc(Cl)c(Cl)c4)cc3n(CCNC(C)=O)c2=O)cc1 ZINC000040956190 562086560 /nfs/dbraw/zinc/08/65/60/562086560.db2.gz VQHFOIQFTUFCRK-UHFFFAOYSA-N 0 0 512.397 4.522 1 0 KJAFRN COc1cc2c(cc1OC)[C@H](CC(=O)NC1CCCCCC1)N(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000040973301 562087114 /nfs/dbraw/zinc/08/71/14/562087114.db2.gz TZODOOMUVAISNW-DEOSSOPVSA-N 0 0 500.661 4.529 1 0 KJAFRN COc1cc2c(cc1OC)[C@@H](CC(=O)NC1CCCCCC1)N(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000040973303 562087120 /nfs/dbraw/zinc/08/71/20/562087120.db2.gz TZODOOMUVAISNW-XMMPIXPASA-N 0 0 500.661 4.529 1 0 KJAFRN CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000040974555 562087056 /nfs/dbraw/zinc/08/70/56/562087056.db2.gz QYUJVXKCYGKGBB-UHFFFAOYSA-N 0 0 506.521 4.877 1 0 KJAFRN CCCc1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc(C(N)=[NH2+])cc2)c1 ZINC000040979588 562087319 /nfs/dbraw/zinc/08/73/19/562087319.db2.gz NDXKHAPOIIBQOC-UHFFFAOYSA-N 0 0 500.599 4.926 1 0 KJAFRN CN1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Br)cc2)CC1 ZINC000040980862 562087519 /nfs/dbraw/zinc/08/75/19/562087519.db2.gz FKQPSDBGDPLQAS-UHFFFAOYSA-N 0 0 509.235 4.501 1 0 KJAFRN COc1cc2ncnc(N3CCN(C(=S)Nc4ccc(Br)c(Cl)c4)CC3)c2cc1OC ZINC000042202560 562087465 /nfs/dbraw/zinc/08/74/65/562087465.db2.gz SEEORMPQTKDNNU-UHFFFAOYSA-N 0 0 522.856 4.582 1 0 KJAFRN Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCCCC2)cc2c[nH]nc21 ZINC000042802975 562087999 /nfs/dbraw/zinc/08/79/99/562087999.db2.gz ZTIKOGZHWZUEKW-HHHXNRCGSA-N 0 0 541.652 4.653 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)[C@H](O)CCC(C)C)C3=C[C@H](OC(C)=O)[C@@H]12 ZINC000042803274 562088122 /nfs/dbraw/zinc/08/81/22/562088122.db2.gz QMQNFJMSMKJMCR-FXNGKCKLSA-N 0 0 534.734 4.558 1 0 KJAFRN CC(C)CNC(=O)c1ccc(-c2ccc(-c3occc3CO)cc2C(=O)Nc2ccc(C(N)=[NH2+])cc2)c(C(=O)[O-])c1 ZINC000042803331 562088150 /nfs/dbraw/zinc/08/81/50/562088150.db2.gz GFQUGBZAHVGALJ-UHFFFAOYSA-N 0 0 554.603 4.726 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000042803437 562088192 /nfs/dbraw/zinc/08/81/92/562088192.db2.gz CEKCSANPFZSVKO-ICWAWGCGSA-N 0 0 568.619 4.508 1 0 KJAFRN Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(C(OC(=O)C(C)C)OC(=O)C(C)C)cc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000042803702 562088404 /nfs/dbraw/zinc/08/84/04/562088404.db2.gz YAQDZKZXAOPYLY-KZELCYLNSA-N 0 0 634.619 4.727 1 0 KJAFRN Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(C(OC(=O)C(C)C)OC(=O)C(C)C)cc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000042803707 562088332 /nfs/dbraw/zinc/08/83/32/562088332.db2.gz YAQDZKZXAOPYLY-SBLHRQJMSA-N 0 0 634.619 4.727 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(CNc5cccc(Cl)c5)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000042803737 562088402 /nfs/dbraw/zinc/08/84/02/562088402.db2.gz YHRBSJUMRRQWAQ-GVQBMFDGSA-N 0 0 591.020 4.519 1 0 KJAFRN CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000042803750 562088413 /nfs/dbraw/zinc/08/84/13/562088413.db2.gz BXYMOPHDFDLMEA-TZDKCZRXSA-N 0 0 542.713 4.529 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@H](OC(=O)c4ccc(O)cc4)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000042804754 562088952 /nfs/dbraw/zinc/08/89/52/562088952.db2.gz BTSDTWZLDJUDMR-VICZHGOXSA-N 0 0 554.636 4.588 1 0 KJAFRN Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N(C)C ZINC000042804812 562088945 /nfs/dbraw/zinc/08/89/45/562088945.db2.gz ULTFFZFLGBBBSP-VEEOACQBSA-N 0 0 568.718 4.936 1 0 KJAFRN O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(C(=O)NCc4cccnc4)c32)c(F)c1 ZINC000042805246 562089018 /nfs/dbraw/zinc/08/90/18/562089018.db2.gz WGRLPFLJQGNPHU-UHFFFAOYSA-N 0 0 556.529 4.849 1 0 KJAFRN Cc1ccc([C@@H](CC(N)=O)NC(=O)CC(=O)CNc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805429 562089210 /nfs/dbraw/zinc/08/92/10/562089210.db2.gz NTNFWQWMKRHQBI-XMMPIXPASA-N 0 0 565.461 4.654 1 0 KJAFRN Cc1ccc([C@H](CC(N)=O)NC(=O)CC(=O)CNc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805434 562089194 /nfs/dbraw/zinc/08/91/94/562089194.db2.gz NTNFWQWMKRHQBI-DEOSSOPVSA-N 0 0 565.461 4.654 1 0 KJAFRN Cc1ccc([C@@H](CC(N)=O)NC(=O)CC(=O)COc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805441 562089197 /nfs/dbraw/zinc/08/91/97/562089197.db2.gz USTXEQOYOIRQGP-XMMPIXPASA-N 0 0 566.445 4.620 1 0 KJAFRN Cc1ccc([C@H](CC(N)=O)NC(=O)CC(=O)COc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805447 562089201 /nfs/dbraw/zinc/08/92/01/562089201.db2.gz USTXEQOYOIRQGP-DEOSSOPVSA-N 0 0 566.445 4.620 1 0 KJAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3ccc(N)cc3)s1)n2CCC(N)=O ZINC000042806173 562089412 /nfs/dbraw/zinc/08/94/12/562089412.db2.gz TYYQKQJBZPGYOQ-UKTHLTGXSA-N 0 0 564.671 5.255 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000042806305 562089548 /nfs/dbraw/zinc/08/95/48/562089548.db2.gz LSWRMAAUUGPACW-JFZXTBNCSA-N 0 0 628.770 4.752 1 0 KJAFRN CC(=O)N[C@H]1CCN(c2ccc3c(c2)-c2nc4cc(C(=O)N5CCN(c6ccc(F)cc6)CC5)ccc4n2[C@@H](C(C)C)C(=O)N3)C1 ZINC000042806897 562089953 /nfs/dbraw/zinc/08/99/53/562089953.db2.gz UMYJGHFCRBPRBH-UKJJDJLKSA-N 0 0 623.733 4.669 1 0 KJAFRN CC(=O)N[C@@H]1CCN(c2ccc3c(c2)-c2nc4cc(C(=O)N5CCN(c6ccc(F)cc6)CC5)ccc4n2[C@@H](C(C)C)C(=O)N3)C1 ZINC000042806902 562089973 /nfs/dbraw/zinc/08/99/73/562089973.db2.gz UMYJGHFCRBPRBH-GOXGLGGOSA-N 0 0 623.733 4.669 1 0 KJAFRN NC(=O)C[C@H](NC(=O)CCCNc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000042807107 562090052 /nfs/dbraw/zinc/09/00/52/562090052.db2.gz BMRKCXJRHKHLGK-QFIPXVFZSA-N 0 0 538.439 4.561 1 0 KJAFRN NC(=O)C[C@@H](NC(=O)CCCNc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000042807112 562090083 /nfs/dbraw/zinc/09/00/83/562090083.db2.gz BMRKCXJRHKHLGK-JOCHJYFZSA-N 0 0 538.439 4.561 1 0 KJAFRN O=C1O[C@H]2Cc3ccccc3[C@H]2NC(=O)c2cccc(c2)C(=O)N[C@@H]2c3ccccc3C[C@@H]2OC(=O)c2ccc1s2 ZINC000042807143 562090030 /nfs/dbraw/zinc/09/00/30/562090030.db2.gz IJZSSAPWSQBZGH-KBJUPQRZSA-N 0 0 564.619 4.567 1 0 KJAFRN O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1CC(F)(F)F ZINC000042807357 562090208 /nfs/dbraw/zinc/09/02/08/562090208.db2.gz BQGSIJCFELMLSF-UHFFFAOYSA-N 0 0 544.741 4.895 1 0 KJAFRN COc1cc2nccc(Oc3ccc(-c4cnc([C@H](NC(=O)C[NH+](C)C)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000042807749 581097463 /nfs/dbraw/zinc/09/74/63/581097463.db2.gz HYTIIUMBEDDHGX-WJOKGBTCSA-N 0 0 597.647 4.711 1 0 KJAFRN COc1cc2nccc(Oc3ccc(-c4cnc([C@@H](NC(=O)C[NH+](C)C)c5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000042807754 581097424 /nfs/dbraw/zinc/09/74/24/581097424.db2.gz HYTIIUMBEDDHGX-HKBQPEDESA-N 0 0 597.647 4.711 1 0 KJAFRN CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccoc3CO)cc2C(=O)Nc2ccc(C(N)=[NH2+])cc2)c(C(=O)[O-])c1 ZINC000042834749 581097988 /nfs/dbraw/zinc/09/79/88/581097988.db2.gz WLBRATSWGHWZND-UHFFFAOYSA-N 0 0 554.603 4.726 1 0 KJAFRN CO[C@H]1C[C@H](C)Cc2cc(cc(Cl)c2O)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O ZINC000042851993 581097701 /nfs/dbraw/zinc/09/77/01/581097701.db2.gz BNJLLGCOAADABB-WCTXHBHRSA-N 0 0 553.096 4.730 1 0 KJAFRN CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000042877811 291858062 /nfs/dbraw/zinc/85/80/62/291858062.db2.gz YYBGZSCZDKPXGD-CLWMZTKQSA-N 0 0 500.544 4.559 1 0 biogenic,in-vitro KJAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2C2CCCCC2)c1OC ZINC000043022244 562644997 /nfs/dbraw/zinc/64/49/97/562644997.db2.gz ZUYBUZQESBVOMM-DBQZHCBRSA-N 0 0 526.641 4.760 1 0 KJAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2C2CCCCC2)c1OC ZINC000043022247 562645002 /nfs/dbraw/zinc/64/50/02/562645002.db2.gz ZUYBUZQESBVOMM-QSRYBZNWSA-N 0 0 526.641 4.760 1 0 KJAFRN COc1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)ccc1OCCN1CCOCC1 ZINC000043023735 562645010 /nfs/dbraw/zinc/64/50/10/562645010.db2.gz HZJOQDIJBARWDQ-UHFFFAOYSA-N 0 0 521.561 4.725 1 0 KJAFRN CS(=O)(=O)c1ccc([C@@H](CCNC(=O)c2ccc(OCC(F)(F)F)nc2)c2ccc(F)cc2)cc1 ZINC000043058894 562645055 /nfs/dbraw/zinc/64/50/55/562645055.db2.gz PMLBVNNUFYWONH-NRFANRHFSA-N 0 0 510.509 4.517 1 0 KJAFRN CS(=O)(=O)c1ccc([C@H](CCNC(=O)c2ccc(OCC(F)(F)F)nc2)c2ccc(F)cc2)cc1 ZINC000043058896 562645071 /nfs/dbraw/zinc/64/50/71/562645071.db2.gz PMLBVNNUFYWONH-OAQYLSRUSA-N 0 0 510.509 4.517 1 0 KJAFRN CSc1ncc(C2C(C(=O)Nc3ccccn3)=C(C)NC(C)=C2C(=O)Nc2ccccn2)n1Nc1ccccc1 ZINC000043060467 562645145 /nfs/dbraw/zinc/64/51/45/562645145.db2.gz SFYHRZVZJYFVOX-UHFFFAOYSA-N 0 0 552.664 4.782 1 0 KJAFRN O=C(CN1CCN(Cc2ccc3cc(OCc4ccccc4)ccc3c2)CC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000043064061 562645282 /nfs/dbraw/zinc/64/52/82/562645282.db2.gz ISYWTGLSIRJHFE-UHFFFAOYSA-N 0 0 536.632 4.506 1 0 KJAFRN C=COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)OCc1ccccc1 ZINC000043067596 562645393 /nfs/dbraw/zinc/64/53/93/562645393.db2.gz IGKXBZICPMPKPG-AWCRTANDSA-N 0 0 630.827 4.753 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)OCc3ccccc3)cn2C)cc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000043068153 562645455 /nfs/dbraw/zinc/64/54/55/562645455.db2.gz LIYKLTMJNZTCMY-UHFFFAOYSA-N 0 0 538.608 4.818 1 0 KJAFRN CCN(C[C@@](O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 ZINC000043068406 562645463 /nfs/dbraw/zinc/64/54/63/562645463.db2.gz OIOAMNWVVLMCFP-DEOSSOPVSA-N 0 0 536.551 4.581 1 0 KJAFRN Cn1cc(C2=C(c3nn(CCCn4ccnc4)c4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000043069639 562645487 /nfs/dbraw/zinc/64/54/87/562645487.db2.gz RYYIPBVICPLOJE-UHFFFAOYSA-N 0 0 527.588 4.694 1 0 KJAFRN COc1ccc(COc2ccc3cc(CN4CCN(CC(=O)Nc5ccc6c(c5)OCC(=O)N6)CC4)ccc3c2)cc1 ZINC000043071008 562645568 /nfs/dbraw/zinc/64/55/68/562645568.db2.gz KJIAEOABWVUHQG-UHFFFAOYSA-N 0 0 566.658 4.515 1 0 KJAFRN C[C@@](Cc1ccc(Oc2cc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000043071565 562645580 /nfs/dbraw/zinc/64/55/80/562645580.db2.gz VHFPYVLKEYFCHH-HKBQPEDESA-N 0 0 539.636 4.638 1 0 KJAFRN CCOC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2ccc(Cl)cc2Cl)cn3CC)CC1 ZINC000043075427 562645716 /nfs/dbraw/zinc/64/57/16/562645716.db2.gz XYXRKXIPTLHUGH-UHFFFAOYSA-N 0 0 549.430 4.676 1 0 KJAFRN NS(=O)(=O)c1ccc(Nc2nc3cc(C(=O)N4CCCC4)ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000043080133 562645844 /nfs/dbraw/zinc/64/58/44/562645844.db2.gz AOVQBOCWSBTAIM-UHFFFAOYSA-N 0 0 543.571 4.730 1 0 KJAFRN C[C@@H](NC(=O)c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Br)cc1 ZINC000043119423 562646013 /nfs/dbraw/zinc/64/60/13/562646013.db2.gz XYYXDXYGBFWDKY-HXUWFJFHSA-N 0 0 536.470 4.987 1 0 KJAFRN O=C([O-])C[C@@H](NC(=O)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043120053 562646069 /nfs/dbraw/zinc/64/60/69/562646069.db2.gz DHUWTHTVTADNHR-XMMPIXPASA-N 0 0 514.548 4.976 1 0 KJAFRN O=C([O-])C[C@H](NC(=O)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccccc1 ZINC000043120054 562646060 /nfs/dbraw/zinc/64/60/60/562646060.db2.gz DHUWTHTVTADNHR-DEOSSOPVSA-N 0 0 514.548 4.976 1 0 KJAFRN O=c1c2cc(I)ccc2nc(-c2cccs2)n1NC(=S)Nc1ccccc1 ZINC000043120196 562646080 /nfs/dbraw/zinc/64/60/80/562646080.db2.gz WAVJQDDBIXFGLZ-UHFFFAOYSA-N 0 0 504.378 4.670 1 0 KJAFRN Cc1ccc(COc2ccc3cc(CN4CCN(CC(=O)Nc5ccc6c(c5)OCC(=O)N6)CC4)ccc3c2)cc1 ZINC000043120520 562646102 /nfs/dbraw/zinc/64/61/02/562646102.db2.gz SRQXDKCALARPRY-UHFFFAOYSA-N 0 0 550.659 4.814 1 0 KJAFRN O=C(NCCc1ccc(OCCN2CC[C@H](F)C2)c(Br)c1)c1cc(Br)cs1 ZINC000043121727 562646171 /nfs/dbraw/zinc/64/61/71/562646171.db2.gz TZCRPXWTKVQQCD-HNNXBMFYSA-N 0 0 520.262 4.668 1 0 KJAFRN O=C(NCCc1ccc(OCCN2CC[C@@H](F)C2)c(Br)c1)c1cc(Br)cs1 ZINC000043121729 562646135 /nfs/dbraw/zinc/64/61/35/562646135.db2.gz TZCRPXWTKVQQCD-OAHLLOKOSA-N 0 0 520.262 4.668 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)Nc3ccccc3)cn2C)cc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000043123288 562646272 /nfs/dbraw/zinc/64/62/72/562646272.db2.gz CHVIGEKGOSYALP-UHFFFAOYSA-N 0 0 523.597 4.714 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1cccc(CO[N+](=O)[O-])c1F)CC2 ZINC000043123358 562646275 /nfs/dbraw/zinc/64/62/75/562646275.db2.gz JFWKAPOQNQMWMX-FQEVSTJZSA-N 0 0 570.595 4.726 1 0 KJAFRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000043123469 562646265 /nfs/dbraw/zinc/64/62/65/562646265.db2.gz KSALIXZTUXFILX-SFHVURJKSA-N 0 0 538.448 4.592 1 0 KJAFRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000043123471 562646250 /nfs/dbraw/zinc/64/62/50/562646250.db2.gz KSALIXZTUXFILX-GOSISDBHSA-N 0 0 538.448 4.592 1 0 KJAFRN CC(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000043129267 562646284 /nfs/dbraw/zinc/64/62/84/562646284.db2.gz QFXXYEKLOZNNSU-XMSQKQJNSA-N 0 0 549.626 4.988 1 0 KJAFRN CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H]1CCC(=O)O1 ZINC000043130483 562646307 /nfs/dbraw/zinc/64/63/07/562646307.db2.gz QIZIXRKCAMOPPF-VLBKHFRNSA-N 0 0 537.738 4.668 1 0 KJAFRN O=C(NC1CC1)c1ccc2c(c1)ncn([C@@H](CC1CCCCC1)C(=O)Nc1ncc(Cl)s1)c2=O ZINC000043171317 562646531 /nfs/dbraw/zinc/64/65/31/562646531.db2.gz RRGQZTBCWCTGHA-IBGZPJMESA-N 0 0 500.024 4.549 1 0 KJAFRN O=C(NC1CC1)c1ccc2c(c1)ncn([C@H](CC1CCCCC1)C(=O)Nc1ncc(Cl)s1)c2=O ZINC000043171319 562646573 /nfs/dbraw/zinc/64/65/73/562646573.db2.gz RRGQZTBCWCTGHA-LJQANCHMSA-N 0 0 500.024 4.549 1 0 KJAFRN CC(C)[C@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@@H](C(C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000043175280 562646651 /nfs/dbraw/zinc/64/66/51/562646651.db2.gz LUOLBKPMSHODHB-WOJBJXKFSA-N 0 0 600.548 4.850 1 0 KJAFRN CC(C)[C@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](C(C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000043175282 562646656 /nfs/dbraw/zinc/64/66/56/562646656.db2.gz LUOLBKPMSHODHB-BGYRXZFFSA-N 0 0 600.548 4.850 1 0 KJAFRN CC(=O)N1CCN(c2cc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)ccn2)CC1 ZINC000043176713 562646670 /nfs/dbraw/zinc/64/66/70/562646670.db2.gz KPWGSBOUOGDCIQ-UHFFFAOYSA-N 0 0 530.982 4.916 1 0 KJAFRN COCCCn1c2ccc(C(=O)NCc3cccc(OC)c3)cc2nc1NC(=O)c1ccccc1Cl ZINC000043177040 562646660 /nfs/dbraw/zinc/64/66/60/562646660.db2.gz LKIMEJFTFONMOG-UHFFFAOYSA-N 0 0 506.990 4.917 1 0 KJAFRN C=CC(=O)N1CCC[C@H]1C(=O)Nc1cc2c(cc1OCCOC)ncnc2Nc1ccc(Cl)c(Cl)c1F ZINC000043178717 562646699 /nfs/dbraw/zinc/64/66/99/562646699.db2.gz AQSAVZBNRWMFSP-IBGZPJMESA-N 0 0 548.402 4.960 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3cccc(C4=NNC(=O)C[C@H]4C)c3)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000043194321 562646677 /nfs/dbraw/zinc/64/66/77/562646677.db2.gz WTLLGKQFGOBUBR-MSOLQXFVSA-N 0 0 584.599 4.654 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3cccc(C4=NNC(=O)C[C@@H]4C)c3)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000043194322 562646686 /nfs/dbraw/zinc/64/66/86/562646686.db2.gz WTLLGKQFGOBUBR-ROUUACIJSA-N 0 0 584.599 4.654 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3cccc(C4=NNC(=O)C[C@H]4C)c3)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000043194323 562646708 /nfs/dbraw/zinc/64/67/08/562646708.db2.gz WTLLGKQFGOBUBR-QZTJIDSGSA-N 0 0 584.599 4.654 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3cccc(C4=NNC(=O)C[C@@H]4C)c3)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000043194324 562646679 /nfs/dbraw/zinc/64/66/79/562646679.db2.gz WTLLGKQFGOBUBR-ZWKOTPCHSA-N 0 0 584.599 4.654 1 0 KJAFRN COc1cc(-c2cn(CC(=O)N(CC(F)(F)F)c3ccc(F)c(Cl)c3)nn2)ccc1-n1cnc(C)c1 ZINC000043201894 562646892 /nfs/dbraw/zinc/64/68/92/562646892.db2.gz SZVRBMQYRDZLLI-UHFFFAOYSA-N 0 0 522.890 4.836 1 0 KJAFRN COc1cc(-c2cn([C@@H]3CCc4c(F)cc(F)cc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000043201899 562646910 /nfs/dbraw/zinc/64/69/10/562646910.db2.gz GDJGWHBXDHGOBF-OAQYLSRUSA-N 0 0 532.473 4.809 1 0 KJAFRN COc1cc(-c2cn([C@H]3CCc4c(F)cc(F)cc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000043201900 562646922 /nfs/dbraw/zinc/64/69/22/562646922.db2.gz GDJGWHBXDHGOBF-NRFANRHFSA-N 0 0 532.473 4.809 1 0 KJAFRN CCN(C)c1nc2ccc(C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1 ZINC000043205647 562646977 /nfs/dbraw/zinc/64/69/77/562646977.db2.gz RGTBBKSFLZZHLT-IZZNHLLZSA-N 0 0 579.723 4.737 1 0 KJAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2ncsc2c1 ZINC000043205649 562646980 /nfs/dbraw/zinc/64/69/80/562646980.db2.gz REFJKRWNHNILNV-BJKOFHAPSA-N 0 0 538.695 4.750 1 0 KJAFRN CCOC(=O)N1CCCOc2cc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)ccc21 ZINC000043206164 562647055 /nfs/dbraw/zinc/64/70/55/562647055.db2.gz RXXOBMLZTZLIBG-UHFFFAOYSA-N 0 0 514.945 4.861 1 0 KJAFRN CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(C)nc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000043206302 562647030 /nfs/dbraw/zinc/64/70/30/562647030.db2.gz KYOICGKIVJTIGW-UHFFFAOYSA-N 0 0 555.948 4.534 1 0 in-vivo KJAFRN C[C@](Cc1ccc(Oc2cc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000043208551 562647130 /nfs/dbraw/zinc/64/71/30/562647130.db2.gz VHFPYVLKEYFCHH-WJOKGBTCSA-N 0 0 539.636 4.638 1 0 KJAFRN C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCCCl)C(=O)CCl ZINC000043278735 562647365 /nfs/dbraw/zinc/64/73/65/562647365.db2.gz WSYKJUKCBHJGNH-ZROYSQKBSA-N 0 0 515.449 4.712 1 0 KJAFRN COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000043300370 562647407 /nfs/dbraw/zinc/64/74/07/562647407.db2.gz CMRMFMLCSUNEKL-RCDQUOSRSA-N 0 0 607.829 4.896 1 0 KJAFRN COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000043300371 562647384 /nfs/dbraw/zinc/64/73/84/562647384.db2.gz CMRMFMLCSUNEKL-CSXLXBMASA-N 0 0 607.829 4.896 1 0 KJAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1 ZINC000043322639 562647673 /nfs/dbraw/zinc/64/76/73/562647673.db2.gz IEYSWBYGDJSUEZ-BNEQJXBGSA-N 0 0 604.744 4.654 1 0 KJAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](CCCc3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl ZINC000043322888 562647714 /nfs/dbraw/zinc/64/77/14/562647714.db2.gz IYPGTDHKYXWYSZ-OZJVSQTJSA-N 0 0 613.151 4.735 1 0 KJAFRN C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000043323268 562647811 /nfs/dbraw/zinc/64/78/11/562647811.db2.gz JCWCLUZRDXAPMK-QGRYSZPYSA-N 0 0 628.862 4.551 1 0 KJAFRN C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000043323272 562647816 /nfs/dbraw/zinc/64/78/16/562647816.db2.gz JCWCLUZRDXAPMK-BLUXBUBXSA-N 0 0 628.862 4.551 1 0 KJAFRN C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000043323277 562647794 /nfs/dbraw/zinc/64/77/94/562647794.db2.gz JCWCLUZRDXAPMK-YFRPKMDESA-N 0 0 628.862 4.551 1 0 KJAFRN C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000043323281 562647789 /nfs/dbraw/zinc/64/77/89/562647789.db2.gz JCWCLUZRDXAPMK-CQSJVUBWSA-N 0 0 628.862 4.551 1 0 KJAFRN CC(=O)c1ccccc1NC(=O)COc1ccc(-c2nc3c([nH]2)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c3=O)cc1 ZINC000043409061 562648234 /nfs/dbraw/zinc/64/82/34/562648234.db2.gz IHZQJUZSSXPJFN-UHFFFAOYSA-N 0 0 599.647 4.870 1 0 KJAFRN Cc1cccc(C)c1CCC(=O)N[C@H](Cc1ccccc1)[C@H](O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)N1CCCNC1=O ZINC000043409198 562648254 /nfs/dbraw/zinc/64/82/54/562648254.db2.gz LPRLDZKAGVWTGW-YDXJMRNDSA-N 0 0 626.842 4.882 1 0 KJAFRN C[C@H](CCC(=O)N[C@@H](CO)[C@@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000043427329 562648480 /nfs/dbraw/zinc/64/84/80/562648480.db2.gz YJQOUWYHNZCWIF-MTKMQQIHSA-N 0 0 541.773 4.604 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@H](OC(=O)[C@H](C)CC)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000043490721 562648692 /nfs/dbraw/zinc/64/86/92/562648692.db2.gz FGGPIWICAGRSLN-JZSPPMHLSA-N 0 0 518.647 4.615 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@H](OC(=O)[C@H](C)CC)C[C@H]21)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000043490728 562648693 /nfs/dbraw/zinc/64/86/93/562648693.db2.gz FGGPIWICAGRSLN-SINMHJSXSA-N 0 0 518.647 4.615 1 0 KJAFRN CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 ZINC000043511519 562648740 /nfs/dbraw/zinc/64/87/40/562648740.db2.gz QRKQBWJQWKMSFV-UHFFFAOYSA-N 0 0 532.604 4.948 1 0 KJAFRN CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1CCC(=O)O1 ZINC000043523513 562648777 /nfs/dbraw/zinc/64/87/77/562648777.db2.gz QIZIXRKCAMOPPF-KVFZBXRRSA-N 0 0 537.738 4.668 1 0 KJAFRN CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3ccc(OC)cc3)c2)C1=O ZINC000043524014 562648872 /nfs/dbraw/zinc/64/88/72/562648872.db2.gz MLEDNDFUKNFMCW-IARZGTGTSA-N 0 0 521.702 4.923 1 0 KJAFRN COC(=O)c1c(-c2cc(OC)c(O)cc2O)c(-c2ccc(O)c(OC)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000043524093 562648916 /nfs/dbraw/zinc/64/89/16/562648916.db2.gz VBLNEVUQQRFYRA-UHFFFAOYSA-N 0 0 533.533 4.680 1 0 KJAFRN COC(=O)c1c(-c2cc(OC)c(O)cc2OC)c(-c2ccc(O)c(OC)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000043524151 562648923 /nfs/dbraw/zinc/64/89/23/562648923.db2.gz WFUHKLMCTOMAEJ-UHFFFAOYSA-N 0 0 547.560 4.983 1 0 KJAFRN CCC[C@H](NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCCC1)C(=O)c1nnc(C(C)(C)C)o1 ZINC000043524324 562648972 /nfs/dbraw/zinc/64/89/72/562648972.db2.gz IWXHPRDVQOTEBD-SFHVURJKSA-N 0 0 538.567 4.866 1 0 KJAFRN Cc1ccc2c(C)cc(C)c(-n3c(SCC(=O)Nc4ccc(S(N)(=O)=O)cc4Cl)nnc3C(F)(F)F)c2n1 ZINC000043524365 562649002 /nfs/dbraw/zinc/64/90/02/562649002.db2.gz LGIYXRYWHLTDGY-UHFFFAOYSA-N 0 0 585.033 4.791 1 0 KJAFRN COCCCNC(=O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc32)c1Cl ZINC000043524465 562649052 /nfs/dbraw/zinc/64/90/52/562649052.db2.gz HRKDSQVJCSBPBG-UHFFFAOYSA-N 0 0 554.496 4.639 1 0 KJAFRN CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)cc(C(F)(F)F)c2)CC1 ZINC000043524554 562649070 /nfs/dbraw/zinc/64/90/70/562649070.db2.gz LYNUPGSZUIJXNJ-UHFFFAOYSA-N 0 0 577.654 4.936 1 0 KJAFRN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@H](c3ccc(I)cc3)O[C@]12C(=O)CO ZINC000043531710 562649185 /nfs/dbraw/zinc/64/91/85/562649185.db2.gz KPBIYPWGWXFPKB-ZFNKFLCOSA-N 0 0 562.444 4.757 1 0 KJAFRN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@@H](c3ccc(I)s3)O[C@]12C(=O)CO ZINC000043531791 562649146 /nfs/dbraw/zinc/64/91/46/562649146.db2.gz IPSGLWORQOAVSA-FDGMMMINSA-N 0 0 568.473 4.819 1 0 KJAFRN CN(C)c1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)nnc2C(F)(F)F)c2ccccc21 ZINC000043531910 562649211 /nfs/dbraw/zinc/64/92/11/562649211.db2.gz RAANKCHOVWESQW-UHFFFAOYSA-N 0 0 585.033 4.537 1 0 KJAFRN CC(=O)OC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OC(C)=O ZINC000043531919 562649226 /nfs/dbraw/zinc/64/92/26/562649226.db2.gz 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/nfs/dbraw/zinc/65/49/03/562654903.db2.gz IUJNBXYODGAPRF-LJAQVGFWSA-N 0 0 624.767 4.675 1 0 KJAFRN C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)CCCCCCCCCCCO)CC[C@]34CO)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000044351923 562654891 /nfs/dbraw/zinc/65/48/91/562654891.db2.gz XBJUIKSGBDNXRX-GBHUSKISSA-N 0 0 632.835 4.744 1 0 KJAFRN COc1cc(/C=C2\C(=O)N(CCc3ccc(O)cc3)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)NCCc2ccc(O)cc2)ccc1O ZINC000044351979 562654950 /nfs/dbraw/zinc/65/49/50/562654950.db2.gz VNFIQMCRAYEPSY-FXJSISFJSA-N 0 0 624.690 4.711 1 0 KJAFRN CN(C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc21)[C@@H](CN1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000044352002 562654955 /nfs/dbraw/zinc/65/49/55/562654955.db2.gz ODYPAHVIPOBHBB-SANMLTNESA-N 0 0 554.474 4.918 1 0 KJAFRN CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)O1 ZINC000044352035 562654971 /nfs/dbraw/zinc/65/49/71/562654971.db2.gz BQVLECMLFYHZDZ-DFIXXEOTSA-N 0 0 597.756 4.677 1 0 KJAFRN 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1 0 KJAFRN COc1ccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2C(=O)N[C@@H](C)Cc2ccc(Cl)cc2)c(OC)n1 ZINC000044358271 562655269 /nfs/dbraw/zinc/65/52/69/562655269.db2.gz XKLYEDFEHKNGKN-KRWDZBQOSA-N 0 0 562.026 4.911 1 0 KJAFRN COc1ccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2C(=O)N[C@H](C)Cc2ccc(Cl)cc2)c(OC)n1 ZINC000044358277 562655273 /nfs/dbraw/zinc/65/52/73/562655273.db2.gz XKLYEDFEHKNGKN-QGZVFWFLSA-N 0 0 562.026 4.911 1 0 KJAFRN CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CC[NH+]4CCC(F)(F)CC4)cc3)ncc2c1=O ZINC000044358389 562655327 /nfs/dbraw/zinc/65/53/27/562655327.db2.gz UFMVGZKURDIVSO-UHFFFAOYSA-N 0 0 574.632 4.578 1 0 KJAFRN CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@]2(C)[C@H]3C(=O)O[C@@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@@H]12 ZINC000044358580 562655354 /nfs/dbraw/zinc/65/53/54/562655354.db2.gz FVEKBVKKECHRJP-QQCVVQJISA-N 0 0 518.691 4.679 1 0 KJAFRN COc1cc(/C=C/C(=O)NCc2c3c4c(c(OC)c2OC)-c2cc(OC)c(OC)cc2C[C@@H]4N(C)CC3)ccc1O ZINC000044359616 562655489 /nfs/dbraw/zinc/65/54/89/562655489.db2.gz HPJFIDKZFXINSA-LBQODKDLSA-N 0 0 560.647 4.517 1 0 KJAFRN COc1cc(/C=C/C(=O)NCc2c3c4c(c(OC)c2OC)-c2cc(OC)c(OC)cc2C[C@H]4N(C)CC3)ccc1O ZINC000044359621 562655486 /nfs/dbraw/zinc/65/54/86/562655486.db2.gz HPJFIDKZFXINSA-YIEPXFBBSA-N 0 0 560.647 4.517 1 0 KJAFRN CC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000044360377 562655578 /nfs/dbraw/zinc/65/55/78/562655578.db2.gz FPHUJUDWFIGFAH-XKCFRZITSA-N 0 0 588.782 4.971 1 0 KJAFRN CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCCC2=O)CC1 ZINC000044360677 562655637 /nfs/dbraw/zinc/65/56/37/562655637.db2.gz QIVJXGRGJYVVDJ-XMMPIXPASA-N 0 0 575.537 4.593 1 0 KJAFRN O=C1CS[C@H](c2ccc(O)cc2)N1n1c(=O)c2cc(Br)ccc2nc1CSc1nnc(-c2ccncc2)o1 ZINC000044361001 562655666 /nfs/dbraw/zinc/65/56/66/562655666.db2.gz HBKCGXLCXPTDEE-XMMPIXPASA-N 0 0 609.487 4.512 1 0 KJAFRN O=C1CS[C@@H](c2ccc(O)cc2)N1n1c(=O)c2cc(Br)ccc2nc1CSc1nnc(-c2ccncc2)o1 ZINC000044361007 562655684 /nfs/dbraw/zinc/65/56/84/562655684.db2.gz HBKCGXLCXPTDEE-DEOSSOPVSA-N 0 0 609.487 4.512 1 0 KJAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)Nc5nncs5)CC4)cc2)CC3)cc1 ZINC000044361013 562655661 /nfs/dbraw/zinc/65/56/61/562655661.db2.gz YVZHSGVLYJMMLL-UHFFFAOYSA-N 0 0 554.554 4.624 1 0 KJAFRN CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@H]3C(=O)O[C@H](C)[C@H]3[C@H]2/C=C/c2ccc(-c3cccc(C(N)=O)c3)cn2)C1 ZINC000044361025 562655690 /nfs/dbraw/zinc/65/56/90/562655690.db2.gz UTNWIKJEISYSBD-GCYZNPIISA-N 0 0 517.626 4.589 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(=O)[C@H](C)CC)C[C@@H]3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000044361511 562655733 /nfs/dbraw/zinc/65/57/33/562655733.db2.gz SISPBFQULSGJCZ-PSZIYWBSSA-N 0 0 520.663 4.695 1 0 biogenic,in-vitro KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000044361517 562655732 /nfs/dbraw/zinc/65/57/32/562655732.db2.gz SISPBFQULSGJCZ-MPMNKZIASA-N 0 0 520.663 4.695 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(=O)[C@H](C)CC)C[C@@H]3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000044361522 562655707 /nfs/dbraw/zinc/65/57/07/562655707.db2.gz SISPBFQULSGJCZ-YNRJIULNSA-N 0 0 520.663 4.695 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000044361529 562655772 /nfs/dbraw/zinc/65/57/72/562655772.db2.gz SISPBFQULSGJCZ-QMRLEAEUSA-N 0 0 520.663 4.695 1 0 KJAFRN NC(=O)C1CCN(C(=O)[C@@H](Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c2ccccc2)CC1 ZINC000044361584 562655754 /nfs/dbraw/zinc/65/57/54/562655754.db2.gz DGNIAKAILQEBDR-DEOSSOPVSA-N 0 0 533.053 4.596 1 0 KJAFRN NC(=O)C1CCN(C(=O)[C@H](Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c2ccccc2)CC1 ZINC000044361590 562655755 /nfs/dbraw/zinc/65/57/55/562655755.db2.gz DGNIAKAILQEBDR-XMMPIXPASA-N 0 0 533.053 4.596 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(=O)/C(C)=C/C)C[C@@H]3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000044361667 291855965 /nfs/dbraw/zinc/85/59/65/291855965.db2.gz GOBFDVWAFVUYAI-PIYQTMHSSA-N 0 0 518.647 4.615 1 0 biogenic,in-vitro KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(=O)/C(C)=C/C)C[C@@H]3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000044361673 562655739 /nfs/dbraw/zinc/65/57/39/562655739.db2.gz GOBFDVWAFVUYAI-VVTOUCTJSA-N 0 0 518.647 4.615 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000044386813 562655998 /nfs/dbraw/zinc/65/59/98/562655998.db2.gz FGGPIWICAGRSLN-OJYOWPBTSA-N 0 0 518.647 4.615 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000044386816 562655994 /nfs/dbraw/zinc/65/59/94/562655994.db2.gz FGGPIWICAGRSLN-LENGHOJSSA-N 0 0 518.647 4.615 1 0 KJAFRN CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)NC2CC2)CC1 ZINC000044386967 562656038 /nfs/dbraw/zinc/65/60/38/562656038.db2.gz RHGVJAZZPIBWLX-XMMPIXPASA-N 0 0 547.527 4.723 1 0 KJAFRN Cc1c(Cl)c(C(=O)N(CC(F)(F)F)CC(F)(F)F)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO ZINC000044387048 562656015 /nfs/dbraw/zinc/65/60/15/562656015.db2.gz QXPJCLYUEWNNFA-SFHVURJKSA-N 0 0 588.936 4.960 1 0 KJAFRN CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000044387138 562656080 /nfs/dbraw/zinc/65/60/80/562656080.db2.gz IWIVDUNOLOIWLV-MHQBMSPJSA-N 0 0 530.746 4.689 1 0 KJAFRN O=C1CS[C@H](c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000044387420 562656119 /nfs/dbraw/zinc/65/61/19/562656119.db2.gz LLXCSASOFXLBIZ-XMMPIXPASA-N 0 0 593.488 4.807 1 0 KJAFRN O=C1CS[C@@H](c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000044387423 562656130 /nfs/dbraw/zinc/65/61/30/562656130.db2.gz LLXCSASOFXLBIZ-DEOSSOPVSA-N 0 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4.608 1 0 KJAFRN COc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4cc(OC)c(OC)c(OC)c4)nnc32)c1 ZINC000044416962 562657010 /nfs/dbraw/zinc/65/70/10/562657010.db2.gz HSASDTNHFRHAQV-UHFFFAOYSA-N 0 0 559.579 4.605 1 0 KJAFRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCc4ccc(Cl)cc4Cl)CC3)CC2)c(C)c1 ZINC000044417127 562657076 /nfs/dbraw/zinc/65/70/76/562657076.db2.gz QXOWMQABQCXWPA-UHFFFAOYSA-N 0 0 580.578 4.874 1 0 KJAFRN O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1I ZINC000044417266 562657078 /nfs/dbraw/zinc/65/70/78/562657078.db2.gz YSCPEERCUFWGJO-UHFFFAOYSA-N 0 0 532.345 4.794 1 0 KJAFRN COc1cccc(S(=O)(=O)N(Cc2cccs2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCC[C@@H]2C)c1 ZINC000044418440 562657303 /nfs/dbraw/zinc/65/73/03/562657303.db2.gz JAMPDGZSLGOJBF-FQZUIQCPSA-N 0 0 570.777 4.862 1 0 KJAFRN COc1cc(-c2nn(-c3ccccc3)c3nnc(-c4cc(OC)c(OC)c(OC)c4)nc23)cc(OC)c1OC ZINC000044418732 562657353 /nfs/dbraw/zinc/65/73/53/562657353.db2.gz ZOVFCWGDOWEDDC-UHFFFAOYSA-N 0 0 529.553 4.596 1 0 KJAFRN O=C(Cc1cccs1)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000044418903 562657395 /nfs/dbraw/zinc/65/73/95/562657395.db2.gz CMHNHTVXDRAARQ-LOSJGSFVSA-N 0 0 594.702 4.749 1 0 KJAFRN O=C(c1cn(-c2ccc3c(c2)OCCO3)c(-c2ccc(F)cc2)n1)N1CCN(c2cnc3ccccc3c2)CC1 ZINC000044430346 562657478 /nfs/dbraw/zinc/65/74/78/562657478.db2.gz YJLCFVZXRVUGNM-UHFFFAOYSA-N 0 0 535.579 4.960 1 0 KJAFRN O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccccc2Cl)CN1C(=O)Nc1ccc(Cl)cc1 ZINC000044430396 562657525 /nfs/dbraw/zinc/65/75/25/562657525.db2.gz QHQCLZQPIFXEDT-QDPGVEIFSA-N 0 0 564.429 4.672 1 0 KJAFRN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000044430549 562657558 /nfs/dbraw/zinc/65/75/58/562657558.db2.gz LDORSZCZJLCJQE-UHFFFAOYSA-N 0 0 559.326 4.562 1 0 KJAFRN NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000044430583 562657547 /nfs/dbraw/zinc/65/75/47/562657547.db2.gz ASPRSETUDJADCR-DEOSSOPVSA-N 0 0 593.731 4.674 1 0 KJAFRN O=C1NC(=O)c2c1c1c3cc(O)c(OCCCn4cccc4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000044430661 562657584 /nfs/dbraw/zinc/65/75/84/562657584.db2.gz WPMKFUJDZWDNDB-UHFFFAOYSA-N 0 0 529.980 4.967 1 0 KJAFRN COc1cccc(OC)c1C(=O)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000044430724 562657647 /nfs/dbraw/zinc/65/76/47/562657647.db2.gz LADWMTJAKGNEQG-UHFFFAOYSA-N 0 0 524.982 4.602 1 0 KJAFRN Cc1ccc(OC[C@H]2O[C@@H](n3cc(Cn4ccc5c4nc(N)nc5Cl)nn3)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000044430793 562657634 /nfs/dbraw/zinc/65/76/34/562657634.db2.gz HQODJLPEBUWWHG-ISJGIBHGSA-N 0 0 546.031 4.738 1 0 KJAFRN CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(NCC(=O)OCc2ccccc2)NCC(=O)OCc2ccccc2)o1 ZINC000044431070 562657741 /nfs/dbraw/zinc/65/77/41/562657741.db2.gz DWXUKKYLTJRDCO-UHFFFAOYSA-N 0 0 596.646 4.668 1 0 KJAFRN CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(OC)(OC)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000044431128 562657771 /nfs/dbraw/zinc/65/77/71/562657771.db2.gz OKLOELQSMKXXGE-FELVGZRXSA-N 0 0 535.722 4.687 1 0 KJAFRN CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(OC)(OC)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000044431130 562657744 /nfs/dbraw/zinc/65/77/44/562657744.db2.gz OKLOELQSMKXXGE-YXLJQECNSA-N 0 0 535.722 4.687 1 0 KJAFRN CC[C@@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(OC)(OC)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000044431132 562657756 /nfs/dbraw/zinc/65/77/56/562657756.db2.gz OKLOELQSMKXXGE-JZDNQEOQSA-N 0 0 535.722 4.687 1 0 KJAFRN CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(OC)(OC)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C ZINC000044431134 562657772 /nfs/dbraw/zinc/65/77/72/562657772.db2.gz OKLOELQSMKXXGE-QFMOLGEUSA-N 0 0 535.722 4.687 1 0 KJAFRN Nc1nc(O[C@@H](c2ccccc2-n2ccc(C(F)(F)F)n2)C(F)(F)F)cc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1 ZINC000044431459 562657846 /nfs/dbraw/zinc/65/78/46/562657846.db2.gz ISRMFGJXBMZSMJ-KKSFZXQISA-N 0 0 566.462 4.567 1 0 KJAFRN Nc1nc(O[C@H](c2ccccc2-n2ccc(C(F)(F)F)n2)C(F)(F)F)cc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1 ZINC000044431462 562657850 /nfs/dbraw/zinc/65/78/50/562657850.db2.gz ISRMFGJXBMZSMJ-HRAATJIYSA-N 0 0 566.462 4.567 1 0 KJAFRN Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000044460009 562657898 /nfs/dbraw/zinc/65/78/98/562657898.db2.gz YZFYPECRJZGSGJ-IZZNHLLZSA-N 0 0 522.049 4.698 1 0 in-vitro KJAFRN Cn1cnc(S(=O)(=O)N(Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)Cc2c(F)cccc2Cl)c1 ZINC000044460361 562657977 /nfs/dbraw/zinc/65/79/77/562657977.db2.gz AYVVQXQFVKEXMX-UHFFFAOYSA-N 0 0 548.061 4.674 1 0 in-vitro KJAFRN COc1ccc(S(=O)(=O)NC2CCN(c3ccc(C(F)(F)F)cc3NC(=O)OCC(C)C)CC2)cc1 ZINC000045168868 562658148 /nfs/dbraw/zinc/65/81/48/562658148.db2.gz BKLRLRUTIXFBRX-UHFFFAOYSA-N 0 0 529.581 4.866 1 0 KJAFRN COc1cc2c(cc1S(=O)(=O)c1ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc1)CCN(C)CC2 ZINC000045187221 562658266 /nfs/dbraw/zinc/65/82/66/562658266.db2.gz GOGKNUGOFIWARO-UHFFFAOYSA-N 0 0 518.557 4.830 1 0 KJAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000045188696 562658341 /nfs/dbraw/zinc/65/83/41/562658341.db2.gz BVGSWBPAAQTSBE-QFIPXVFZSA-N 0 0 503.546 4.511 1 0 KJAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000045188699 562658329 /nfs/dbraw/zinc/65/83/29/562658329.db2.gz BVGSWBPAAQTSBE-JOCHJYFZSA-N 0 0 503.546 4.511 1 0 KJAFRN COc1ccccc1CCNc1ncc(F)c(N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)n1 ZINC000045189007 562658404 /nfs/dbraw/zinc/65/84/04/562658404.db2.gz JDTQQTHQDYCJOK-SANMLTNESA-N 0 0 513.617 4.661 1 0 KJAFRN Cc1cc(F)ccc1-c1nc(NCCCN2CCCC2=O)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000045193400 562658777 /nfs/dbraw/zinc/65/87/77/562658777.db2.gz RKKJCYWCDKWOAY-UHFFFAOYSA-N 0 0 507.516 4.598 1 0 KJAFRN O=S(=O)(NCCCN1CCOCC1)c1ccc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2c1 ZINC000045193939 562658780 /nfs/dbraw/zinc/65/87/80/562658780.db2.gz HYNRCETYRUWEGO-UHFFFAOYSA-N 0 0 518.639 4.771 1 0 KJAFRN COc1ccc(F)cc1-c1ccccc1CNC(=O)CN(C)S(=O)(=O)c1cc(C)cc(Cl)c1C ZINC000045195715 562658908 /nfs/dbraw/zinc/65/89/08/562658908.db2.gz ZSTOYHKLUNQXRM-UHFFFAOYSA-N 0 0 505.011 4.708 1 0 KJAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000045196130 562658947 /nfs/dbraw/zinc/65/89/47/562658947.db2.gz YLYKHSZNTSTWQX-QFIPXVFZSA-N 0 0 503.546 4.511 1 0 KJAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000045196133 562658922 /nfs/dbraw/zinc/65/89/22/562658922.db2.gz YLYKHSZNTSTWQX-JOCHJYFZSA-N 0 0 503.546 4.511 1 0 KJAFRN CC(=O)Nc1cccc(C(=O)Nc2nc3cc(-c4cc(=O)[nH]c(Nc5ccccc5Cl)n4)ccc3[nH]2)c1 ZINC000045202231 562659115 /nfs/dbraw/zinc/65/91/15/562659115.db2.gz HWWDMATVTWRNRO-UHFFFAOYSA-N 0 0 513.945 4.921 1 0 KJAFRN C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C ZINC000045245129 562659713 /nfs/dbraw/zinc/65/97/13/562659713.db2.gz ILJKDVPFNDEJBF-FNZWTVRRSA-N 0 0 506.614 4.617 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000045253477 562659784 /nfs/dbraw/zinc/65/97/84/562659784.db2.gz VJGNXZQPNWMFAQ-SSEZWIOCSA-N 0 0 522.550 4.655 1 0 KJAFRN NC(=S)Nc1cccc(OCCCCCCCCNC(=S)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000045255009 562659904 /nfs/dbraw/zinc/65/99/04/562659904.db2.gz OSNZVMPEBYOOLG-UHFFFAOYSA-N 0 0 515.749 4.885 1 0 KJAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2Cn2ccnc2Br)c1 ZINC000045255921 562659874 /nfs/dbraw/zinc/65/98/74/562659874.db2.gz MZNKPHHRHGCXKG-UHFFFAOYSA-N 0 0 514.161 4.704 1 0 KJAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(N3CCOCC3)ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045255981 562659881 /nfs/dbraw/zinc/65/98/81/562659881.db2.gz YAEBTEGCKUXQCL-QHCPKHFHSA-N 0 0 504.534 4.592 1 0 KJAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(N3CCOCC3)ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045255985 562659883 /nfs/dbraw/zinc/65/98/83/562659883.db2.gz YAEBTEGCKUXQCL-HSZRJFAPSA-N 0 0 504.534 4.592 1 0 KJAFRN COc1cccc(Nc2ncc(C)c(-c3c[nH]c(C(=O)N[C@H](CO)c4cccc(Cl)c4)c3)n2)c1OC ZINC000045256044 562659879 /nfs/dbraw/zinc/65/98/79/562659879.db2.gz BATKTFZYDQZCLB-OAQYLSRUSA-N 0 0 507.978 4.658 1 0 KJAFRN CC1(C)CC(NC(=O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1O ZINC000045256614 562659934 /nfs/dbraw/zinc/65/99/34/562659934.db2.gz WZEJOLDIQBJKQR-UHFFFAOYSA-N 0 0 500.603 4.986 1 0 in-vitro KJAFRN O=C1OCCN1c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C1CC1)c1c[nH]nc1-2 ZINC000045258322 562659957 /nfs/dbraw/zinc/65/99/57/562659957.db2.gz NOKLTRPLNPRQBN-NRFANRHFSA-N 0 0 504.490 4.712 1 0 KJAFRN O=C1OCCN1c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@H](C1CC1)c1c[nH]nc1-2 ZINC000045258327 562659916 /nfs/dbraw/zinc/65/99/16/562659916.db2.gz NOKLTRPLNPRQBN-OAQYLSRUSA-N 0 0 504.490 4.712 1 0 KJAFRN C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2ccc3ccccc3c2)CCN1C ZINC000045261147 562660031 /nfs/dbraw/zinc/66/00/31/562660031.db2.gz ZMMCUXAGOBBBJF-FNZWTVRRSA-N 0 0 506.614 4.617 1 0 KJAFRN C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2ccc3ccccc3c2)CCN1C ZINC000045261151 562660036 /nfs/dbraw/zinc/66/00/36/562660036.db2.gz ZMMCUXAGOBBBJF-IBVKSMDESA-N 0 0 506.614 4.617 1 0 KJAFRN C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(C(=O)Nc2ccc3ccccc3c2)CCN1C ZINC000045261154 562660024 /nfs/dbraw/zinc/66/00/24/562660024.db2.gz ZMMCUXAGOBBBJF-RXFWQSSRSA-N 0 0 506.614 4.617 1 0 KJAFRN C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(C(=O)Nc2ccc3ccccc3c2)CCN1C ZINC000045261157 562660060 /nfs/dbraw/zinc/66/00/60/562660060.db2.gz ZMMCUXAGOBBBJF-FQRUVTKNSA-N 0 0 506.614 4.617 1 0 KJAFRN C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C ZINC000045261293 562660052 /nfs/dbraw/zinc/66/00/52/562660052.db2.gz ILJKDVPFNDEJBF-IBVKSMDESA-N 0 0 506.614 4.617 1 0 KJAFRN C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C ZINC000045261296 562660045 /nfs/dbraw/zinc/66/00/45/562660045.db2.gz ILJKDVPFNDEJBF-RXFWQSSRSA-N 0 0 506.614 4.617 1 0 KJAFRN C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C ZINC000045261299 562660063 /nfs/dbraw/zinc/66/00/63/562660063.db2.gz ILJKDVPFNDEJBF-FQRUVTKNSA-N 0 0 506.614 4.617 1 0 KJAFRN COc1ccc(C=CC(=O)Nc2cc(-c3[nH]c([S@](C)=O)nc3-c3ccc(F)cc3)ccn2)c(OC)c1 ZINC000045284962 562660137 /nfs/dbraw/zinc/66/01/37/562660137.db2.gz UEKDFQFEWKRBPE-JDVHCHKWSA-N 0 0 506.559 4.684 1 0 KJAFRN COc1ccc(C=CC(=O)Nc2cc(-c3[nH]c([S@@](C)=O)nc3-c3ccc(F)cc3)ccn2)c(OC)c1 ZINC000045284964 562660150 /nfs/dbraw/zinc/66/01/50/562660150.db2.gz UEKDFQFEWKRBPE-HOQCHYNFSA-N 0 0 506.559 4.684 1 0 KJAFRN CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000045287946 562660234 /nfs/dbraw/zinc/66/02/34/562660234.db2.gz AHQOAFKULDOYKQ-PTJMHOJZSA-N 0 0 526.054 4.940 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000045290173 562660304 /nfs/dbraw/zinc/66/03/04/562660304.db2.gz VJGNXZQPNWMFAQ-MCDTYSSMSA-N 0 0 522.550 4.655 1 0 KJAFRN CS(=O)(=O)c1ccc([C@@H]2CC([C@@H]3CCC[C@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)=NO2)cc1 ZINC000045290197 562660300 /nfs/dbraw/zinc/66/03/00/562660300.db2.gz WTHXGLUGIJVYOE-SJBKTWHCSA-N 0 0 510.534 4.539 1 0 KJAFRN CS(=O)(=O)c1ccc([C@H]2CC([C@@H]3CCC[C@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)=NO2)cc1 ZINC000045290200 562660301 /nfs/dbraw/zinc/66/03/01/562660301.db2.gz WTHXGLUGIJVYOE-KCZVDYSFSA-N 0 0 510.534 4.539 1 0 KJAFRN CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000045291111 562660338 /nfs/dbraw/zinc/66/03/38/562660338.db2.gz KCTVVICMGUJFCG-RYJQUDHMSA-N 0 0 512.027 4.666 1 0 KJAFRN COc1ccc(CC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000045298329 562660383 /nfs/dbraw/zinc/66/03/83/562660383.db2.gz COTKHURBAYVFIM-UHFFFAOYSA-N 0 0 507.554 4.557 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1O)C[C@H](C)[C@@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000045299412 562660388 /nfs/dbraw/zinc/66/03/88/562660388.db2.gz VRAYGCUPLPYJCI-MCDTYSSMSA-N 0 0 524.566 4.641 1 0 KJAFRN COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(N5CCCCC5)C4=O)cc3F)c2cc1OC ZINC000045299981 562660417 /nfs/dbraw/zinc/66/04/17/562660417.db2.gz WAUFYMOLJUXNTO-UHFFFAOYSA-N 0 0 509.538 4.854 1 0 KJAFRN CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1S(=O)(=O)c1ccc(C)cc1 ZINC000045300558 562660440 /nfs/dbraw/zinc/66/04/40/562660440.db2.gz YZPHDBGOVWZRFN-FQEVSTJZSA-N 0 0 502.083 4.599 1 0 KJAFRN CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1S(=O)(=O)c1ccc(C)cc1 ZINC000045300560 562660433 /nfs/dbraw/zinc/66/04/33/562660433.db2.gz YZPHDBGOVWZRFN-HXUWFJFHSA-N 0 0 502.083 4.599 1 0 KJAFRN CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2N(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000045300700 562660423 /nfs/dbraw/zinc/66/04/23/562660423.db2.gz VXEQCSKVYZKQOR-WZONZLPQSA-N 0 0 518.614 4.534 1 0 KJAFRN CCc1cccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@@H]2C)c1 ZINC000045301201 562660460 /nfs/dbraw/zinc/66/04/60/562660460.db2.gz BOAHRDHCYZXTPI-FQEVSTJZSA-N 0 0 529.641 4.958 1 0 KJAFRN CCc1cccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@H]2C)c1 ZINC000045301203 562660465 /nfs/dbraw/zinc/66/04/65/562660465.db2.gz BOAHRDHCYZXTPI-HXUWFJFHSA-N 0 0 529.641 4.958 1 0 KJAFRN CCC[C@@H](C)[C@@H](C(=O)NCc1ccccc1)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1c1ccccc1 ZINC000045303196 562660766 /nfs/dbraw/zinc/66/07/66/562660766.db2.gz AKAPLBSBELKQSU-ANFLZCCJSA-N 0 0 526.637 4.902 1 0 KJAFRN CCC[C@H](C)[C@@H](C(=O)NCc1ccccc1)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1c1ccccc1 ZINC000045303197 562660782 /nfs/dbraw/zinc/66/07/82/562660782.db2.gz AKAPLBSBELKQSU-IIZLTXOPSA-N 0 0 526.637 4.902 1 0 KJAFRN CCC[C@@H](C)[C@H](C(=O)NCc1ccccc1)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1c1ccccc1 ZINC000045303198 562660775 /nfs/dbraw/zinc/66/07/75/562660775.db2.gz AKAPLBSBELKQSU-NFTQTCPJSA-N 0 0 526.637 4.902 1 0 KJAFRN CCC[C@H](C)[C@H](C(=O)NCc1ccccc1)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1c1ccccc1 ZINC000045303199 562660805 /nfs/dbraw/zinc/66/08/05/562660805.db2.gz AKAPLBSBELKQSU-UASRBLEQSA-N 0 0 526.637 4.902 1 0 KJAFRN CCc1cc2c(nc(NCCCO)nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000045316312 562660891 /nfs/dbraw/zinc/66/08/91/562660891.db2.gz ODBHJHKECUFQQM-UHFFFAOYSA-N 0 0 501.656 4.677 1 0 KJAFRN C[C@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2S(C)(=O)=O)=NO1 ZINC000045320883 562660973 /nfs/dbraw/zinc/66/09/73/562660973.db2.gz JCBJMVUAKJOOBN-YOSAUDMPSA-N 0 0 524.561 4.713 1 0 KJAFRN C[C@@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2S(C)(=O)=O)=NO1 ZINC000045320886 562660994 /nfs/dbraw/zinc/66/09/94/562660994.db2.gz JCBJMVUAKJOOBN-REHUZNOOSA-N 0 0 524.561 4.713 1 0 KJAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2Cn2cc(Br)cn2)c1 ZINC000045321248 562661047 /nfs/dbraw/zinc/66/10/47/562661047.db2.gz OSLYONYXIZNRKS-UHFFFAOYSA-N 0 0 514.161 4.704 1 0 KJAFRN Cc1cn(CC(=O)Nc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)c(=O)[nH]c1=O ZINC000045321739 562661038 /nfs/dbraw/zinc/66/10/38/562661038.db2.gz BZFZDHDMVIYBDA-UHFFFAOYSA-N 0 0 519.483 4.713 1 0 KJAFRN CNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc32)cn1 ZINC000045322880 562661135 /nfs/dbraw/zinc/66/11/35/562661135.db2.gz DSTDNBAORRODRL-UHFFFAOYSA-N 0 0 523.549 4.884 1 0 KJAFRN COc1ccc(Nc2nc(NCc3cccc(NS(C)(=O)=O)c3)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000045323877 562661145 /nfs/dbraw/zinc/66/11/45/562661145.db2.gz DSNXBKBWKXYKJW-UHFFFAOYSA-N 0 0 505.600 4.888 1 0 KJAFRN COc1cc2c(cc1S(=O)(=O)c1ccc(NC(=O)c3ccc4ccccc4c3)cc1)CCN(C)CC2 ZINC000045334697 562661280 /nfs/dbraw/zinc/66/12/80/562661280.db2.gz LAJRFJJAYTWDBO-UHFFFAOYSA-N 0 0 500.620 4.964 1 0 KJAFRN COc1cc2nc(N3C[C@@H](C)N(C(=O)Cc4ccc(-c5ccccc5)cc4)[C@@H](C)C3)nc(N)c2cc1OC ZINC000045335038 562661329 /nfs/dbraw/zinc/66/13/29/562661329.db2.gz CDSONCDPWDZFND-BGYRXZFFSA-N 0 0 511.626 4.565 1 0 KJAFRN COc1cc2nc(N3C[C@H](C)N(C(=O)Cc4ccc(-c5ccccc5)cc4)[C@@H](C)C3)nc(N)c2cc1OC ZINC000045335040 562661343 /nfs/dbraw/zinc/66/13/43/562661343.db2.gz CDSONCDPWDZFND-PMACEKPBSA-N 0 0 511.626 4.565 1 0 KJAFRN COc1cc2nc(N3C[C@@H](C)N(C(=O)Cc4ccc(-c5ccccc5)cc4)[C@H](C)C3)nc(N)c2cc1OC ZINC000045335042 562661303 /nfs/dbraw/zinc/66/13/03/562661303.db2.gz CDSONCDPWDZFND-WOJBJXKFSA-N 0 0 511.626 4.565 1 0 KJAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000045335167 562661323 /nfs/dbraw/zinc/66/13/23/562661323.db2.gz PBHBUDYFIZUBED-UHFFFAOYSA-N 0 0 513.598 4.735 1 0 KJAFRN C[C@@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000045335796 562661401 /nfs/dbraw/zinc/66/14/01/562661401.db2.gz BVAHTJZOMKUSIW-VMZYVOJKSA-N 0 0 517.620 4.892 1 0 KJAFRN C[C@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000045335798 562661368 /nfs/dbraw/zinc/66/13/68/562661368.db2.gz BVAHTJZOMKUSIW-WTXCJRJRSA-N 0 0 517.620 4.892 1 0 KJAFRN COc1cc[nH+]c(NCC2CCN(c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)CC2)c1 ZINC000045336444 562661378 /nfs/dbraw/zinc/66/13/78/562661378.db2.gz OPEFUTCWWOFWSN-MHZLTWQESA-N 0 0 530.669 4.770 1 0 KJAFRN COc1cc[nH+]c(NCC2CCN(c3ccc(C[C@@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)CC2)c1 ZINC000045336446 562661406 /nfs/dbraw/zinc/66/14/06/562661406.db2.gz OPEFUTCWWOFWSN-HHHXNRCGSA-N 0 0 530.669 4.770 1 0 KJAFRN CC(=O)Nc1ccc(OC(=O)CNC(=O)[C@@H](C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1 ZINC000045338288 562661511 /nfs/dbraw/zinc/66/15/11/562661511.db2.gz BXQVVQVILWVISG-HNNXBMFYSA-N 0 0 500.477 4.628 1 0 KJAFRN CC(=O)Nc1ccc(OC(=O)CNC(=O)[C@H](C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1 ZINC000045338290 562661504 /nfs/dbraw/zinc/66/15/04/562661504.db2.gz BXQVVQVILWVISG-OAHLLOKOSA-N 0 0 500.477 4.628 1 0 KJAFRN C[C@@H](NC(=O)C1(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(C(=O)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000045339464 562661585 /nfs/dbraw/zinc/66/15/85/562661585.db2.gz GQCQGYALDUZEBP-IXDOHACOSA-N 0 0 519.539 4.997 1 0 KJAFRN C[C@@H](NC(=O)C1(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)cc1 ZINC000045339466 562661603 /nfs/dbraw/zinc/66/16/03/562661603.db2.gz GQCQGYALDUZEBP-YESZJQIVSA-N 0 0 519.539 4.997 1 0 KJAFRN C[C@@H](NC(=O)C1(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(C(=O)N2[C@H](C)CC[C@H]2C)cc1 ZINC000045339468 562661614 /nfs/dbraw/zinc/66/16/14/562661614.db2.gz GQCQGYALDUZEBP-BRWVUGGUSA-N 0 0 519.539 4.997 1 0 KJAFRN COc1ccc(CNC(=O)CCC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045339615 562661582 /nfs/dbraw/zinc/66/15/82/562661582.db2.gz NVDBDJIMLNUCQD-LJAQVGFWSA-N 0 0 506.046 4.679 1 0 KJAFRN COc1ccc(CNC(=O)CCC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045339617 562661563 /nfs/dbraw/zinc/66/15/63/562661563.db2.gz NVDBDJIMLNUCQD-GDLZYMKVSA-N 0 0 506.046 4.679 1 0 KJAFRN COC(=O)c1cc(OC(=O)c2ccc(OC)c(O)c2)c(OC)cc1CCNc1ccc(F)c(Cl)c1 ZINC000045347225 562661620 /nfs/dbraw/zinc/66/16/20/562661620.db2.gz OIXMIDLEILEQJW-UHFFFAOYSA-N 0 0 503.910 4.862 1 0 KJAFRN FC(F)(F)c1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 ZINC000045350270 562661734 /nfs/dbraw/zinc/66/17/34/562661734.db2.gz LFQBDZIKMOOKIP-UHFFFAOYSA-N 0 0 508.504 4.895 1 0 KJAFRN Cn1nc(Cc2cccnc2)nc1-c1ccc(N2CCC3(CCc4c(cccc4C(F)(F)F)O3)CC2)nn1 ZINC000045350391 562661723 /nfs/dbraw/zinc/66/17/23/562661723.db2.gz BSKAWUIOJVBKRM-UHFFFAOYSA-N 0 0 521.547 4.641 1 0 KJAFRN O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n32)ccc1F)N1CCN(c2ccccc2F)CC1 ZINC000045351262 562661709 /nfs/dbraw/zinc/66/17/09/562661709.db2.gz VNSWIQZZOHDMAU-UHFFFAOYSA-N 0 0 517.363 4.766 1 0 KJAFRN CN1CCN(CC(=O)Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2C(=O)c2ccccc2)CC1 ZINC000045352853 562661786 /nfs/dbraw/zinc/66/17/86/562661786.db2.gz OHLDWTWMABSEOF-UHFFFAOYSA-N 0 0 506.606 4.509 1 0 KJAFRN CCOC(=O)c1c(N)sc2c1CCN(C(=O)[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)OC(C)(C)C)C2 ZINC000045353858 562661792 /nfs/dbraw/zinc/66/17/92/562661792.db2.gz AHYKJBMMFFRXTG-GOSISDBHSA-N 0 0 522.067 4.523 1 0 KJAFRN FC(F)(F)c1cccc2c1CCC1(CCN(c3ccc(-c4n[nH]c(Cc5cccnc5)n4)nn3)CC1)O2 ZINC000045354071 562661872 /nfs/dbraw/zinc/66/18/72/562661872.db2.gz SIGGFDISUSMMKN-UHFFFAOYSA-N 0 0 507.520 4.631 1 0 KJAFRN COc1ccc(OC[C@H](O)CN(Cc2ccccc2OC)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000045354868 562661842 /nfs/dbraw/zinc/66/18/42/562661842.db2.gz FOEMGOYOZCDHGB-OAQYLSRUSA-N 0 0 515.404 4.940 1 0 KJAFRN COc1ccc(OC[C@@H](O)CN(Cc2ccccc2OC)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000045354872 562661848 /nfs/dbraw/zinc/66/18/48/562661848.db2.gz FOEMGOYOZCDHGB-NRFANRHFSA-N 0 0 515.404 4.940 1 0 KJAFRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1sccc1SCC(=O)OC ZINC000045366875 562662092 /nfs/dbraw/zinc/66/20/92/562662092.db2.gz USRNRXUUOPVUGD-JOCHJYFZSA-N 0 0 501.626 4.555 1 0 KJAFRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1sccc1SCC(=O)OC ZINC000045366878 562662114 /nfs/dbraw/zinc/66/21/14/562662114.db2.gz USRNRXUUOPVUGD-QFIPXVFZSA-N 0 0 501.626 4.555 1 0 KJAFRN CC(C)OC(=O)C1=CN(C(=O)c2ccc(CCN3CCOCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045368412 562662156 /nfs/dbraw/zinc/66/21/56/562662156.db2.gz APKFSUQCCBBTOX-UHFFFAOYSA-N 0 0 515.654 4.769 1 0 KJAFRN NC(=O)C[C@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2c1cccc2Br ZINC000045370652 562662239 /nfs/dbraw/zinc/66/22/39/562662239.db2.gz NWVIPOWJPNCACJ-DPQZDQFZSA-N 0 0 500.481 4.680 1 0 KJAFRN NC(=O)C[C@@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2c1cccc2Br ZINC000045370657 562662225 /nfs/dbraw/zinc/66/22/25/562662225.db2.gz NWVIPOWJPNCACJ-CYYXOFGOSA-N 0 0 500.481 4.680 1 0 KJAFRN O=C(Cc1nnc(-c2cc(Cl)cc(-c3ccccc3)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000045371076 562662252 /nfs/dbraw/zinc/66/22/52/562662252.db2.gz SACYTCXBWMAVCS-UHFFFAOYSA-N 0 0 514.973 4.501 1 0 KJAFRN CC(C)OC(=O)C1=CN(C(=O)c2ccc(CCN3CCOCC3)cc2)CC(C)(C)c2c3ccc(F)cc3[nH]c21 ZINC000045373528 562662295 /nfs/dbraw/zinc/66/22/95/562662295.db2.gz YJWHMYDMXXRPCY-UHFFFAOYSA-N 0 0 533.644 4.908 1 0 KJAFRN O=C([O-])c1ccc2c(c1)n(CC(=O)N1CCC([NH+]3CCCC3)CC1)c(-c1cnccn1)c2C1CCCCC1 ZINC000045374720 562662309 /nfs/dbraw/zinc/66/23/09/562662309.db2.gz NWQCLJPKKNSEIF-UHFFFAOYSA-N 0 0 515.658 4.931 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CCCN2CCN(c3ccc(F)cc3)CC2)CC2CCCCC2)cc1 ZINC000045384219 562662332 /nfs/dbraw/zinc/66/23/32/562662332.db2.gz LJEKTDPOLMVDTE-UHFFFAOYSA-N 0 0 503.684 4.618 1 0 KJAFRN CC(C)OC(=O)C1=CN(C(=O)c2ccc(CN3CCOCC3)cc2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045384485 562662317 /nfs/dbraw/zinc/66/23/17/562662317.db2.gz WIKGRFQKYWBNIL-UHFFFAOYSA-N 0 0 501.627 4.726 1 0 KJAFRN CN1CCN([C@@H](C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000045385584 562662385 /nfs/dbraw/zinc/66/23/85/562662385.db2.gz YFSSIQHSUILMJX-HHHXNRCGSA-N 0 0 512.654 4.829 1 0 KJAFRN CN1CCN([C@H](C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000045385588 562662388 /nfs/dbraw/zinc/66/23/88/562662388.db2.gz YFSSIQHSUILMJX-MHZLTWQESA-N 0 0 512.654 4.829 1 0 KJAFRN CC(C)OC(=O)C1=CN(C(=O)c2cccc(CN3CCOCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045386986 562662431 /nfs/dbraw/zinc/66/24/31/562662431.db2.gz FTAFMFXMGSDCJW-UHFFFAOYSA-N 0 0 501.627 4.726 1 0 KJAFRN CS(=O)(=O)CNc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045389097 562662452 /nfs/dbraw/zinc/66/24/52/562662452.db2.gz BJYAUAHOFCLPGF-UHFFFAOYSA-N 0 0 514.554 4.868 1 0 KJAFRN C[C@@H](c1ccc(F)cc1)N1C[C@@H](C)N(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)C[C@@H]1C ZINC000045389340 562662518 /nfs/dbraw/zinc/66/25/18/562662518.db2.gz XFRUYGFENMCTRO-KSZLIROESA-N 0 0 527.040 4.538 1 0 KJAFRN C[C@H](c1ccc(F)cc1)N1C[C@@H](C)N(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)C[C@@H]1C ZINC000045389344 562662532 /nfs/dbraw/zinc/66/25/32/562662532.db2.gz XFRUYGFENMCTRO-RCCFBDPRSA-N 0 0 527.040 4.538 1 0 KJAFRN Cn1cncc1[C@@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000045390237 562662498 /nfs/dbraw/zinc/66/24/98/562662498.db2.gz YZFYPECRJZGSGJ-UIOOFZCWSA-N 0 0 522.049 4.698 1 0 KJAFRN CC(C)OC(=O)C1=CN(C(=O)c2ccc(CN3CCOCC3)cc2)CC(C)(C)c2c3ccc(F)cc3[nH]c21 ZINC000045390278 562662527 /nfs/dbraw/zinc/66/25/27/562662527.db2.gz USHBUDYJBKTKGC-UHFFFAOYSA-N 0 0 519.617 4.865 1 0 KJAFRN CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCN3CCOCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045392199 562662537 /nfs/dbraw/zinc/66/25/37/562662537.db2.gz FSWCYNXTZCNFIO-UHFFFAOYSA-N 0 0 531.653 4.605 1 0 KJAFRN COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)Nc2ccc(F)cc2)C(=O)Nc2ccc(F)cc2)cc1OC ZINC000045495995 562662644 /nfs/dbraw/zinc/66/26/44/562662644.db2.gz ZGQPFAJZXXEWHK-BDQBNCQGSA-N 0 0 523.536 4.538 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N[C@@H]2CCc3ccccc32)cc1F ZINC000045496558 562662667 /nfs/dbraw/zinc/66/26/67/562662667.db2.gz WRMUZKBAXLSEAP-CLJLJLNGSA-N 0 0 504.602 4.797 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N[C@@H]2CCc3ccccc32)cc1F ZINC000045496560 562662647 /nfs/dbraw/zinc/66/26/47/562662647.db2.gz WRMUZKBAXLSEAP-FTJBHMTQSA-N 0 0 504.602 4.797 1 0 KJAFRN COc1ccc([C@H]2C=CC[C@H](NS(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045496680 562662661 /nfs/dbraw/zinc/66/26/61/562662661.db2.gz WKTHLOOSLJRXML-RPLLCQBOSA-N 0 0 508.615 4.910 1 0 KJAFRN O=C([O-])[C@H](C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ncccc32)CC1 ZINC000045497933 562662775 /nfs/dbraw/zinc/66/27/75/562662775.db2.gz FDCMYTHPZRJFAA-JNMYPXEXSA-N 0 0 526.559 4.565 1 0 KJAFRN O=C([O-])[C@@H](C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1)[NH+]1CCC(c2c[nH]c3ncccc32)CC1 ZINC000045497936 562662800 /nfs/dbraw/zinc/66/28/00/562662800.db2.gz FDCMYTHPZRJFAA-OQECSOMKSA-N 0 0 526.559 4.565 1 0 KJAFRN O=C(CN1CCCCC1)Nc1cc(Nc2ccnc3cc(Cl)ccc32)cc(C(=O)N2CCOCC2)c1 ZINC000045498703 562662831 /nfs/dbraw/zinc/66/28/31/562662831.db2.gz QSHFINCERLJELW-UHFFFAOYSA-N 0 0 508.022 4.529 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000045498763 562662817 /nfs/dbraw/zinc/66/28/17/562662817.db2.gz BPPYYMZLRANARW-CPJSRVTESA-N 0 0 504.627 4.740 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000045498765 562662834 /nfs/dbraw/zinc/66/28/34/562662834.db2.gz BPPYYMZLRANARW-NLFFAJNJSA-N 0 0 504.627 4.740 1 0 KJAFRN CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000045498868 562662815 /nfs/dbraw/zinc/66/28/15/562662815.db2.gz JCVVPJQKEKNZSD-SFTDATJTSA-N 0 0 513.601 4.727 1 0 KJAFRN CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000045498870 562662805 /nfs/dbraw/zinc/66/28/05/562662805.db2.gz JCVVPJQKEKNZSD-LEWJYISDSA-N 0 0 513.601 4.727 1 0 KJAFRN CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1 ZINC000045498872 562662812 /nfs/dbraw/zinc/66/28/12/562662812.db2.gz JCVVPJQKEKNZSD-NHCUHLMSSA-N 0 0 513.601 4.727 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N(C)Cc2ccccc2)cc1OC ZINC000045505767 562662848 /nfs/dbraw/zinc/66/28/48/562662848.db2.gz WYRVNRWVHSLADF-VWLOTQADSA-N 0 0 504.627 4.522 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N(C)Cc2ccccc2)cc1OC ZINC000045505769 562662823 /nfs/dbraw/zinc/66/28/23/562662823.db2.gz WYRVNRWVHSLADF-RUZDIDTESA-N 0 0 504.627 4.522 1 0 KJAFRN C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000045506128 562662813 /nfs/dbraw/zinc/66/28/13/562662813.db2.gz YJQWRAAPDSTDOW-KRWDZBQOSA-N 0 0 507.432 4.701 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC(C)=O)c(C)c4oc3=O)ccc2OC)c1 ZINC000047472373 562662870 /nfs/dbraw/zinc/66/28/70/562662870.db2.gz JXKDIPNANPXMEW-UHFFFAOYSA-N 0 0 503.507 4.972 1 0 KJAFRN Cn1c2ccc(Nc3ccnc(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)n3)cc2nc1Nc1cc(C(C)(C)C)on1 ZINC000048307321 562662963 /nfs/dbraw/zinc/66/29/63/562662963.db2.gz BKJOJFMMSCWEIX-UHFFFAOYSA-N 0 0 603.709 4.901 1 0 KJAFRN COc1cc2nc(N3CCC(CNC(=O)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000048307384 562663068 /nfs/dbraw/zinc/66/30/68/562663068.db2.gz BPXIHQWLDDFFJY-UHFFFAOYSA-N 0 0 575.069 4.781 1 0 KJAFRN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1-c1ccccc1OC ZINC000048999014 562663208 /nfs/dbraw/zinc/66/32/08/562663208.db2.gz GABJJYUYCZZADF-BWKNWUBXSA-N 0 0 519.594 4.899 1 0 KJAFRN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1-c1ccccc1OC ZINC000048999831 562663238 /nfs/dbraw/zinc/66/32/38/562663238.db2.gz GABJJYUYCZZADF-OFVILXPXSA-N 0 0 519.594 4.899 1 0 KJAFRN COC(=O)[C@H](CCSC)NC(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1-c1ccccc1C ZINC000049000372 562663240 /nfs/dbraw/zinc/66/32/40/562663240.db2.gz GBRMHEJJQGYRNO-OFVILXPXSA-N 0 0 521.635 4.905 1 0 KJAFRN OC[C@H]1O[C@H](n2c3cc(Cl)c(Cl)cc3nc2SCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H]1O ZINC000049014972 562663300 /nfs/dbraw/zinc/66/33/00/562663300.db2.gz CBGLACJIVKRQCH-TVFCKZIOSA-N 0 0 510.226 4.554 1 0 KJAFRN Cc1nc(-c2cnccn2)sc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 ZINC000049018146 562663317 /nfs/dbraw/zinc/66/33/17/562663317.db2.gz ZJQRCBHYKYNYON-UEBLJOKOSA-N 0 0 504.637 4.627 1 0 KJAFRN COC(=O)[C@H](CCSC)NC(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1-c1ccccc1C ZINC000049019814 562663326 /nfs/dbraw/zinc/66/33/26/562663326.db2.gz GBRMHEJJQGYRNO-BWKNWUBXSA-N 0 0 521.635 4.905 1 0 KJAFRN Cc1ccc2nc(NC(=O)Nc3cccc(-c4nccn4-c4ccnc(NC[C@H](C)O)n4)c3)sc2c1 ZINC000049034791 562663524 /nfs/dbraw/zinc/66/35/24/562663524.db2.gz YXCTZDUALUFNRB-INIZCTEOSA-N 0 0 500.588 4.684 1 0 KJAFRN COc1ccc(-c2cc(C(=O)Nc3ccc(-c4nccn4-c4ccnc(NC[C@H](C)O)n4)cc3)co2)cc1 ZINC000049035649 562663552 /nfs/dbraw/zinc/66/35/52/562663552.db2.gz JTGZIJCQNZHLJK-SFHVURJKSA-N 0 0 510.554 4.643 1 0 KJAFRN COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3o2)cc(OC)c1OC ZINC000049037249 562663594 /nfs/dbraw/zinc/66/35/94/562663594.db2.gz MTBQULNINNEDEC-UHFFFAOYSA-N 0 0 507.518 4.876 1 0 KJAFRN O=S(=O)(c1ccc(Cl)cc1)N(CCc1cc2ccccc2cn1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000049045530 562663646 /nfs/dbraw/zinc/66/36/46/562663646.db2.gz KPDBGOIVTOJGHM-UHFFFAOYSA-N 0 0 505.003 4.502 1 0 KJAFRN C[C@H](O)CNc1nccc(-n2ccnc2-c2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)n1 ZINC000049045970 562663649 /nfs/dbraw/zinc/66/36/49/562663649.db2.gz KAKQNEZTYJTSOQ-INIZCTEOSA-N 0 0 515.961 4.683 1 0 KJAFRN COc1ccc(-c2cc(C(=O)Nc3cccc(-c4nccn4-c4ccnc(NC[C@H](C)O)n4)c3)co2)cc1 ZINC000049047942 562663739 /nfs/dbraw/zinc/66/37/39/562663739.db2.gz DSZAJYWHUHBWRQ-SFHVURJKSA-N 0 0 510.554 4.643 1 0 KJAFRN CCCCCCNC(=O)CC[C@H](NS(=O)(=O)c1c(OC)ccc2ccccc21)C(=O)NCCCCCC ZINC000049051039 562663784 /nfs/dbraw/zinc/66/37/84/562663784.db2.gz DMLRETQLSMAQMO-DEOSSOPVSA-N 0 0 533.735 4.669 1 0 KJAFRN CCCCCCNC(=O)CC[C@@H](NS(=O)(=O)c1c(OC)ccc2ccccc21)C(=O)NCCCCCC ZINC000049051043 562663760 /nfs/dbraw/zinc/66/37/60/562663760.db2.gz DMLRETQLSMAQMO-XMMPIXPASA-N 0 0 533.735 4.669 1 0 KJAFRN O=C1CCC(=O)N1CCCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1 ZINC000049053052 562663820 /nfs/dbraw/zinc/66/38/20/562663820.db2.gz BAQUULQYEAYXFF-PMERELPUSA-N 0 0 513.546 4.843 1 0 KJAFRN O=C1CCC(=O)N1CCCOc1ccc([C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1 ZINC000049054178 562663863 /nfs/dbraw/zinc/66/38/63/562663863.db2.gz BAQUULQYEAYXFF-SSEXGKCCSA-N 0 0 513.546 4.843 1 0 KJAFRN C[C@H](O)CNc1nccc(-n2ccnc2-c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2)n1 ZINC000049054800 562663869 /nfs/dbraw/zinc/66/38/69/562663869.db2.gz XVAWXZRBTCRTGG-INIZCTEOSA-N 0 0 515.961 4.683 1 0 KJAFRN O=C(C1CCCC1)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000049067010 562663910 /nfs/dbraw/zinc/66/39/10/562663910.db2.gz LPJPACLARPRNJT-UHFFFAOYSA-N 0 0 500.622 4.825 1 0 KJAFRN O=C1CN(Cc2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3Br)N12 ZINC000049070133 562664087 /nfs/dbraw/zinc/66/40/87/562664087.db2.gz UJSPLYGHRKDZNE-OZXSUGGESA-N 0 0 500.396 4.816 1 0 KJAFRN O=C1CN(Cc2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3Br)N12 ZINC000049070135 562664118 /nfs/dbraw/zinc/66/41/18/562664118.db2.gz UJSPLYGHRKDZNE-JYFHCDHNSA-N 0 0 500.396 4.816 1 0 KJAFRN O=C(Cn1cc(-c2ccnc3[nH]ccc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1)N1CCOCC1 ZINC000049070149 562664113 /nfs/dbraw/zinc/66/41/13/562664113.db2.gz RHDBNLYQAOUIAE-UHFFFAOYSA-N 0 0 521.581 4.596 1 0 KJAFRN O=C1CN(Cc2ccccc2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3Br)N12 ZINC000049070719 562664095 /nfs/dbraw/zinc/66/40/95/562664095.db2.gz UJSPLYGHRKDZNE-ZEQKJWHPSA-N 0 0 500.396 4.816 1 0 KJAFRN CC[C@@H]1C[C@H]2C[C@@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@H]2NS1(=O)=O ZINC000049072062 562664205 /nfs/dbraw/zinc/66/42/05/562664205.db2.gz PFBYQYZXEMYQMF-RBLYABSFSA-N 0 0 504.020 4.558 1 0 KJAFRN Cc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)ccc1C(=O)N1CCOCC1 ZINC000049087833 562664313 /nfs/dbraw/zinc/66/43/13/562664313.db2.gz PDNNOFTUQUSMHH-UHFFFAOYSA-N 0 0 526.612 4.716 1 0 KJAFRN O=C(c1ccccc1)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000049109978 562664517 /nfs/dbraw/zinc/66/45/17/562664517.db2.gz XPGPALDGXQWXEU-UHFFFAOYSA-N 0 0 508.601 4.949 1 0 KJAFRN Cn1cc2c(n1)nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)n1nc(-c3ccc(Cl)cc3)nc21 ZINC000049112586 562664627 /nfs/dbraw/zinc/66/46/27/562664627.db2.gz JOZDSZQTJWNAIG-UHFFFAOYSA-N 0 0 507.941 4.819 1 0 KJAFRN COc1cc(-c2cnc3cc(F)cc(-c4ccc(CC(=O)N5CCOCC5)cc4)c3n2)cc(OC)c1OC ZINC000049112678 562664605 /nfs/dbraw/zinc/66/46/05/562664605.db2.gz JAWKHVZHKTWGST-UHFFFAOYSA-N 0 0 517.557 4.530 1 0 KJAFRN CN1CCC(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000049113447 562664640 /nfs/dbraw/zinc/66/46/40/562664640.db2.gz GJFCQJAUVKHDBO-QEFMBMMRSA-N 0 0 516.439 4.616 1 0 KJAFRN Cc1cc(-c2cccc3ncc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)nc32)ccc1CN1CCOCC1 ZINC000049113578 562664632 /nfs/dbraw/zinc/66/46/32/562664632.db2.gz QTMBJAFKWNRRDA-UHFFFAOYSA-N 0 0 522.649 4.885 1 0 KJAFRN O=C(COc1cccc(F)c1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)N[C@H](CO)Cc1ccccc1 ZINC000049113697 562664662 /nfs/dbraw/zinc/66/46/62/562664662.db2.gz POWQJNPMHKBCKE-LADGPHEKSA-N 0 0 510.993 4.555 1 0 KJAFRN O=C(COc1cccc(F)c1C(=O)N1CCC[C@H]1c1cccc(Cl)c1)N[C@H](CO)Cc1ccccc1 ZINC000049113699 562664665 /nfs/dbraw/zinc/66/46/65/562664665.db2.gz POWQJNPMHKBCKE-UPVQGACJSA-N 0 0 510.993 4.555 1 0 KJAFRN CC[C@]12CN(Cc3ccc4cc5c(cc4n3)C[C@]3(C5)c4cccnc4NC3=O)c3cccc(c31)NC(=O)C2 ZINC000049115839 562664753 /nfs/dbraw/zinc/66/47/53/562664753.db2.gz NCUQDQRRJWAEPD-IOWSJCHKSA-N 0 0 501.590 4.629 1 0 KJAFRN CC[C@@]12CN(Cc3ccc4cc5c(cc4n3)C[C@]3(C5)c4cccnc4NC3=O)c3cccc(c31)NC(=O)C2 ZINC000049115844 562664757 /nfs/dbraw/zinc/66/47/57/562664757.db2.gz NCUQDQRRJWAEPD-FIRIVFDPSA-N 0 0 501.590 4.629 1 0 KJAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000049593108 562664955 /nfs/dbraw/zinc/66/49/55/562664955.db2.gz PSNOPSMXOBPNNV-LQJYTIKWSA-N 0 0 655.188 4.734 1 0 KJAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000049593111 562664954 /nfs/dbraw/zinc/66/49/54/562664954.db2.gz PSNOPSMXOBPNNV-PJIUNSFYSA-N 0 0 655.188 4.734 1 0 KJAFRN CC(=O)c1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(Cc3cccs3)S(=O)(=O)c3cc(F)c(F)cc3F)OC2=O)cc1 ZINC000049599747 562664982 /nfs/dbraw/zinc/66/49/82/562664982.db2.gz QBDOJPKXUDNOBE-JBOQNHBVSA-N 0 0 701.745 4.673 1 0 KJAFRN COc1cc(Nc2ncc3c(C)nc(-c4cccc(Nc5ccc(CN6CCS(=O)(=O)CC6)cc5)c4)n3n2)cc(OC)c1OC ZINC000049604930 562665055 /nfs/dbraw/zinc/66/50/55/562665055.db2.gz NFJMCWUCGDYCSF-UHFFFAOYSA-N 0 0 629.743 4.843 1 0 KJAFRN COc1cc2nc(NCC3CCN(C(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5C)cc4)CC3)nc(N)c2cc1OC ZINC000049605007 562665223 /nfs/dbraw/zinc/66/52/23/562665223.db2.gz QKMZUHUDLRKONM-UHFFFAOYSA-N 0 0 582.705 4.871 1 0 KJAFRN O=C(NC(c1ccccc1)c1ccccc1)N(Cc1ccccc1)C[C@H](O)CN(CCN1CCOCC1)S(=O)(=O)Cc1ccccc1 ZINC000049605135 562665409 /nfs/dbraw/zinc/66/54/09/562665409.db2.gz BDELBZUZYHGREG-DHUJRADRSA-N 0 0 656.849 4.513 1 0 KJAFRN O=C(NC(c1ccccc1)c1ccccc1)N(Cc1ccccc1)C[C@@H](O)CN(CCN1CCOCC1)S(=O)(=O)Cc1ccccc1 ZINC000049605136 562665396 /nfs/dbraw/zinc/66/53/96/562665396.db2.gz BDELBZUZYHGREG-PGUFJCEWSA-N 0 0 656.849 4.513 1 0 KJAFRN COc1ccc(S(=O)(=O)N2CCCc3ccc(Br)cc32)cc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000049605150 562665383 /nfs/dbraw/zinc/66/53/83/562665383.db2.gz LJPVEWQVVBOXIM-UHFFFAOYSA-N 0 0 611.773 4.618 1 0 KJAFRN CC(=O)NCCNc1cc(N2CCc3ncnc(Nc4ccc(OCc5c(F)cccc5F)c(Cl)c4)c3C2)ncn1 ZINC000049605174 562665449 /nfs/dbraw/zinc/66/54/49/562665449.db2.gz LFKSSKHMLIUGHJ-UHFFFAOYSA-N 0 0 581.027 4.632 1 0 KJAFRN O=C(NCCNc1nc(NCCNC(=O)Nc2ccccc2)c2ccc(=O)n(-c3c(F)cccc3F)c2n1)Nc1ccccc1 ZINC000049605332 562665680 /nfs/dbraw/zinc/66/56/80/562665680.db2.gz PVKLBBJTCAJGGN-UHFFFAOYSA-N 0 0 613.629 4.526 1 0 KJAFRN Nc1nonc1-c1nc2c(ccnc2-c2cccc(Cl)c2)n1CCCNC(=O)Cc1ccc(Cl)cc1 ZINC000049605367 562665740 /nfs/dbraw/zinc/66/57/40/562665740.db2.gz QIFCRIGSPCBLOS-UHFFFAOYSA-N 0 0 522.396 4.786 1 0 KJAFRN CN(C)c1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N(C)c3ccccc3)C2=O)c1 ZINC000049605372 562665794 /nfs/dbraw/zinc/66/57/94/562665794.db2.gz MDZRWNTVIGUDQI-WJOKGBTCSA-N 0 0 560.658 4.747 1 0 KJAFRN CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N(C)c3ccccc3)C2=O)c1 ZINC000049605373 562665793 /nfs/dbraw/zinc/66/57/93/562665793.db2.gz MDZRWNTVIGUDQI-HKBQPEDESA-N 0 0 560.658 4.747 1 0 KJAFRN Cn1c2ccc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)cc2nc1Nc1nnc(C2CC2)s1 ZINC000049605408 562665855 /nfs/dbraw/zinc/66/58/55/562665855.db2.gz NRRQUJCIWDPFNO-UHFFFAOYSA-N 0 0 547.670 4.868 1 0 KJAFRN Cc1nc2cc(C)ccn2c1C(=O)N1CCN(c2cccc3c2nc(-c2ccoc2)n3Cc2ccccn2)CC1 ZINC000049605441 562665875 /nfs/dbraw/zinc/66/58/75/562665875.db2.gz SFBMWVDHYNXSIG-UHFFFAOYSA-N 0 0 531.620 4.967 1 0 KJAFRN CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)SCCOCCOCC)N(O)C=O ZINC000049605444 562665907 /nfs/dbraw/zinc/66/59/07/562665907.db2.gz XODFMTBSYAEWKX-TZRRMPRUSA-N 0 0 600.848 4.734 1 0 KJAFRN O=C(NCCN1CCOCC1)c1csc([C@H]2CCCN(C(=O)c3ccc(O)c(-c4cc(Cl)cc(Cl)c4)c3)C2)n1 ZINC000049605445 562665930 /nfs/dbraw/zinc/66/59/30/562665930.db2.gz LTJBNAXLYVVEID-IBGZPJMESA-N 0 0 589.545 4.904 1 0 KJAFRN O=C(NCCN1CCOCC1)c1csc([C@@H]2CCCN(C(=O)c3ccc(O)c(-c4cc(Cl)cc(Cl)c4)c3)C2)n1 ZINC000049605446 562665932 /nfs/dbraw/zinc/66/59/32/562665932.db2.gz LTJBNAXLYVVEID-LJQANCHMSA-N 0 0 589.545 4.904 1 0 KJAFRN CN1CC[C@H](Oc2cc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605597 562666114 /nfs/dbraw/zinc/66/61/14/562666114.db2.gz XFUKIAYRJVFVSZ-ROUUACIJSA-N 0 0 574.290 4.685 1 0 KJAFRN CN1CC[C@@H](Oc2cc(CN3CC[C@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)ccc2I)C1 ZINC000049605598 562666058 /nfs/dbraw/zinc/66/60/58/562666058.db2.gz XFUKIAYRJVFVSZ-ZWKOTPCHSA-N 0 0 574.290 4.685 1 0 KJAFRN CCOC(=O)N=C1NC(=NC(=O)OCC)N(OCCCOc2cc(Cl)c(Cl)cc2Cl)C(C)(C)N1 ZINC000049605646 562666181 /nfs/dbraw/zinc/66/61/81/562666181.db2.gz XNIQDJOFGBKTIC-UHFFFAOYSA-N 0 0 538.816 4.603 1 0 KJAFRN Nc1c2cc(C(=O)Nc3cc(I)c([O-])c(I)c3)ccc2[nH+]c2c1CCCC2 ZINC000049605800 562666385 /nfs/dbraw/zinc/66/63/85/562666385.db2.gz VCRVVXCZBHTXQG-UHFFFAOYSA-N 0 0 585.183 4.863 1 0 KJAFRN Cc1cc(C)c(OCC(=O)N[C@H](Cc2ccccc2)[C@H](O)C[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N2CCCNC2=O)c(C)c1 ZINC000049605895 562666417 /nfs/dbraw/zinc/66/64/17/562666417.db2.gz WBOWNZHEGFDERP-DYICDNQCSA-N 0 0 642.841 4.637 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cccnc43)cc2)NS(=O)(=O)c2cccc3cnccc32)CC1 ZINC000049614099 562666546 /nfs/dbraw/zinc/66/65/46/562666546.db2.gz MMAICZPNMGCPGM-PMERELPUSA-N 0 0 731.853 4.520 1 0 KJAFRN O=C(N[C@@H](Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1)OCc1ccccc1 ZINC000049614572 562666599 /nfs/dbraw/zinc/66/65/99/562666599.db2.gz HXIHJAPHMRSGLV-YTTGMZPUSA-N 0 0 657.745 4.773 1 0 KJAFRN COc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(-c6noc(C)n6)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000049626553 562667249 /nfs/dbraw/zinc/66/72/49/562667249.db2.gz SABNPMBPMCFVIS-UHFFFAOYSA-N 0 0 579.661 4.901 1 0 KJAFRN CN(c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)c1ccnc(NCCN2CCOCC2)n1 ZINC000049626596 562667291 /nfs/dbraw/zinc/66/72/91/562667291.db2.gz JCPONFHKGHBTJM-UHFFFAOYSA-N 0 0 533.530 4.791 1 0 KJAFRN Cn1nc(-c2ccc(NC(=O)Nc3ccc4ccccc4c3)c(F)c2)c2cnc(NCCN3CCOCC3)nc21 ZINC000049626835 562667432 /nfs/dbraw/zinc/66/74/32/562667432.db2.gz MARCDDVUNQNFMW-UHFFFAOYSA-N 0 0 540.603 4.711 1 0 KJAFRN COc1cc2nc(N3CCN(C(=O)c4c(Cl)nsc4-c4ccccc4Cl)CC3)nc(N)c2cc1OC ZINC000049627056 562667517 /nfs/dbraw/zinc/66/75/17/562667517.db2.gz HIKITFCVEBALFB-UHFFFAOYSA-N 0 0 545.452 4.622 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cccnc43)cc2)NC(=O)OCc2ccccc2)CC1 ZINC000049639404 562667791 /nfs/dbraw/zinc/66/77/91/562667791.db2.gz LSNRAJMYHOXXNH-LJAQVGFWSA-N 0 0 674.776 4.919 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)NC(=O)OCc2ccccc2)CC1 ZINC000049639742 562667793 /nfs/dbraw/zinc/66/77/93/562667793.db2.gz BRXHLRCAUXOQHL-PMERELPUSA-N 0 0 674.776 4.919 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cccnc43)cc2)NS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000049650272 562668049 /nfs/dbraw/zinc/66/80/49/562668049.db2.gz KVHWKBYPGOISLP-LJAQVGFWSA-N 0 0 731.853 4.520 1 0 KJAFRN CCOC(=O)CN1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049678190 562668468 /nfs/dbraw/zinc/66/84/68/562668468.db2.gz KRPHTKDXHQVFLJ-DWACAAAGSA-N 0 0 578.677 4.551 1 0 KJAFRN Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCc5ccccc5N)nc(Nc5cccc(N)c5)n4)cc3)n2)c1 ZINC000049678336 562668538 /nfs/dbraw/zinc/66/85/38/562668538.db2.gz BAPOVVDTCRNOOE-UHFFFAOYSA-N 0 0 699.828 4.747 1 0 KJAFRN C[C@H](Nc1nccc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CCN1C ZINC000049678415 562668503 /nfs/dbraw/zinc/66/85/03/562668503.db2.gz SYZWSAWHGVKMHW-LGGPFLRQSA-N 0 0 599.703 4.656 1 0 KJAFRN CC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N1C(=O)CCCc1ccccc1 ZINC000049678446 562668537 /nfs/dbraw/zinc/66/85/37/562668537.db2.gz KKPHFVJYRUNQQU-VJFOWDLASA-N 0 0 513.590 4.725 1 0 KJAFRN CCc1cc2c(nc(N3CCC[C@H](C(N)=O)C3)nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000049678459 562668550 /nfs/dbraw/zinc/66/85/50/562668550.db2.gz RELFXEUMVFQERP-DEOSSOPVSA-N 0 0 554.720 4.585 1 0 KJAFRN CCc1cc2c(nc(N3CCC[C@@H](C(N)=O)C3)nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000049678462 562668566 /nfs/dbraw/zinc/66/85/66/562668566.db2.gz RELFXEUMVFQERP-XMMPIXPASA-N 0 0 554.720 4.585 1 0 KJAFRN Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCc5ccc(O)cc5)nc(Nc5cccc(N)c5)n4)cc3)n2)c1 ZINC000049678706 562668623 /nfs/dbraw/zinc/66/86/23/562668623.db2.gz VIXSUBPKQFBESY-UHFFFAOYSA-N 0 0 700.812 4.871 1 0 KJAFRN CCC(=O)CCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC1=O ZINC000049678872 562668687 /nfs/dbraw/zinc/66/86/87/562668687.db2.gz ANMUPVFDIZCWEB-KIHNNLCDSA-N 0 0 679.903 4.959 1 0 KJAFRN CCN1CCN(c2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)[C@@H]3CN(C(=O)Nc4cccc5ccccc54)CCN3C)n2)C1=O ZINC000049678968 562668716 /nfs/dbraw/zinc/66/87/16/562668716.db2.gz WAKMBOPGTZEJIO-JHOBJCJYSA-N 0 0 618.746 4.879 1 0 KJAFRN Cn1cc(C(=O)OC[C@H]2CN(Cc3ccccc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc21 ZINC000049678975 562668714 /nfs/dbraw/zinc/66/87/14/562668714.db2.gz OQOGSVULDOIHHO-RUZDIDTESA-N 0 0 533.632 4.593 1 0 KJAFRN CN(CCCN1CCN(c2ncc(C(=O)NCCOc3ccccc3)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC000049678990 562668701 /nfs/dbraw/zinc/66/87/01/562668701.db2.gz BSMNBHPERYKHAU-UHFFFAOYSA-N 0 0 542.511 4.846 1 0 KJAFRN CC(=O)N1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049679063 562668742 /nfs/dbraw/zinc/66/87/42/562668742.db2.gz CAXWKWCLCGRPBY-DCFHFQCYSA-N 0 0 534.624 4.534 1 0 KJAFRN O=C(OC[C@H]1CN(Cc2ccccc2)c2cn(CCc3ccccc3)nc2C(=O)N1)c1cccc2cnccc21 ZINC000049679637 562668902 /nfs/dbraw/zinc/66/89/02/562668902.db2.gz VBWJHLOPZMUCFL-AREMUKBSSA-N 0 0 531.616 4.650 1 0 KJAFRN Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(Nc5cccc(N)c5)nc(Nc5cccc(N)c5)n4)cc3)n2)c1 ZINC000049679682 562668971 /nfs/dbraw/zinc/66/89/71/562668971.db2.gz AWIRLEVATIWQST-UHFFFAOYSA-N 0 0 671.774 4.836 1 0 KJAFRN Nc1cccc(CNc2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)c1 ZINC000049679694 562668952 /nfs/dbraw/zinc/66/89/52/562668952.db2.gz YQPCQLXLRHMJOI-UHFFFAOYSA-N 0 0 685.801 4.705 1 0 KJAFRN COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc32)cn1 ZINC000049679737 562668994 /nfs/dbraw/zinc/66/89/94/562668994.db2.gz FLNBFIBKDFIVSN-UHFFFAOYSA-N 0 0 567.602 4.901 1 0 KJAFRN Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCc5cccc(O)c5)nc(Nc5cccc(N)c5)n4)cc3)n2)c1 ZINC000049679856 562668997 /nfs/dbraw/zinc/66/89/97/562668997.db2.gz LOHKLOUBDMBFRW-UHFFFAOYSA-N 0 0 700.812 4.871 1 0 KJAFRN Nc1cccc(CCNc2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)c1 ZINC000049680116 562669107 /nfs/dbraw/zinc/66/91/07/562669107.db2.gz DQUVIFDMGDCDEK-UHFFFAOYSA-N 0 0 699.828 4.747 1 0 KJAFRN Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(C2CCN(C(=O)c3ccc(NC(N)=S)cc3)CC2)n1 ZINC000049680140 562669114 /nfs/dbraw/zinc/66/91/14/562669114.db2.gz IGHWUVVTJSPAJH-UHFFFAOYSA-N 0 0 540.693 4.519 1 0 KJAFRN CC(C)(c1cc2cccnc2c(-c2cccc(C[C@@H](CO)c3ccc(S(C)(=O)=O)cc3)c2)c1)S(C)(=O)=O ZINC000049680277 562669138 /nfs/dbraw/zinc/66/91/38/562669138.db2.gz HKASZTPKFUJMFS-DEOSSOPVSA-N 0 0 537.703 4.904 1 0 KJAFRN CC(C)(c1cc2cccnc2c(-c2cccc(C[C@H](CO)c3ccc(S(C)(=O)=O)cc3)c2)c1)S(C)(=O)=O ZINC000049680279 562669155 /nfs/dbraw/zinc/66/91/55/562669155.db2.gz HKASZTPKFUJMFS-XMMPIXPASA-N 0 0 537.703 4.904 1 0 KJAFRN COc1ccc2c(c1)OCCCCCCCC(C)(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049694396 562669296 /nfs/dbraw/zinc/66/92/96/562669296.db2.gz DYBIOFGODCQGHH-BCQBCCTLSA-N 0 0 674.857 4.905 1 0 KJAFRN COc1cc2nccc(Oc3ccc(NC(=O)c4c(N(C)C)ccn(-c5ccccc5)c4=O)nc3)c2cc1OC ZINC000049694592 562669547 /nfs/dbraw/zinc/66/95/47/562669547.db2.gz WULRGSKYDLRNLL-UHFFFAOYSA-N 0 0 537.576 4.909 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C(C)(C)C)n1)C(=O)NCc1ccccc1 ZINC000049694600 562669536 /nfs/dbraw/zinc/66/95/36/562669536.db2.gz HXWRFSFRMADVTE-SVBPBHIXSA-N 0 0 586.737 4.668 1 0 KJAFRN CO[C@@H](COc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1 ZINC000049694618 562669543 /nfs/dbraw/zinc/66/95/43/562669543.db2.gz OLLGJYHYFZZUCB-FEQZCBRZSA-N 0 0 725.811 4.874 1 0 KJAFRN CNc1ccn(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc32)cn1 ZINC000049694621 562669529 /nfs/dbraw/zinc/66/95/29/562669529.db2.gz HMPBJXGQRFGDCD-UHFFFAOYSA-N 0 0 537.576 4.943 1 0 KJAFRN CO[C@H]1O[C@@H]([C@H](O)C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@]2(OCc3ccccc3)[C@H]1OC[C@@H]2OCc1ccccc1 ZINC000049694649 562669596 /nfs/dbraw/zinc/66/95/96/562669596.db2.gz WYWAMKOIDUUTQQ-QWODULEOSA-N 0 0 640.729 4.987 1 0 KJAFRN CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@]2(OC(=O)c3ccccc3)[C@H]1OC[C@@H]2OC(=O)c1ccccc1 ZINC000049694654 562669578 /nfs/dbraw/zinc/66/95/78/562669578.db2.gz XHENVXUZBTULDA-CYSOBKITSA-N 0 0 652.652 4.661 1 0 KJAFRN CO[C@H]1O[C@@H]([C@@H](O)C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@]2(OCc3ccccc3)[C@H]1OC[C@@H]2OCc1ccccc1 ZINC000049694732 562669676 /nfs/dbraw/zinc/66/96/76/562669676.db2.gz WYWAMKOIDUUTQQ-LEVNGWQZSA-N 0 0 640.729 4.987 1 0 KJAFRN COC(=O)[C@H](Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000049694741 562669712 /nfs/dbraw/zinc/66/97/12/562669712.db2.gz CCBXSBQNPRYVHB-LBSWLTFXSA-N 0 0 589.737 4.695 1 0 KJAFRN COc1cc(CNC(=O)c2nn(-c3ccc(F)cc3F)c(-n3cccc3)c2C)c(Br)c(OC)c1OC ZINC000049694802 562669812 /nfs/dbraw/zinc/66/98/12/562669812.db2.gz MJFGHAQGSHOELV-UHFFFAOYSA-N 0 0 561.383 4.968 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)OC(=O)Nc1ccccc12 ZINC000049694822 562669798 /nfs/dbraw/zinc/66/97/98/562669798.db2.gz JBIBSZVZIAZPBO-IIBYNOLFSA-N 0 0 566.527 4.865 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C2CCC2)n1)C(=O)NCc1ccccc1 ZINC000049694846 562669861 /nfs/dbraw/zinc/66/98/61/562669861.db2.gz QSLRURJBZJRNST-NSOVKSMOSA-N 0 0 584.721 4.638 1 0 KJAFRN CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=O)N(C)C)CC3)cc2OC)ncc1Cl ZINC000049694854 562669848 /nfs/dbraw/zinc/66/98/48/562669848.db2.gz GHKKHZCLBRRQON-UHFFFAOYSA-N 0 0 588.134 4.613 1 0 KJAFRN COC(=O)[C@@H]1C(CNc2ccc(OC)cc2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000049694861 562669845 /nfs/dbraw/zinc/66/98/45/562669845.db2.gz PDJBCWRIMDYPCG-VSGBNLITSA-N 0 0 533.577 4.880 1 0 KJAFRN Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CN2CCN(C(=O)c3ccco3)CC2)c1 ZINC000049694870 562669860 /nfs/dbraw/zinc/66/98/60/562669860.db2.gz QNTFCAHUPPUZHR-UHFFFAOYSA-N 0 0 563.461 4.607 1 0 KJAFRN COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)ccc32)cn1 ZINC000049694881 562669955 /nfs/dbraw/zinc/66/99/55/562669955.db2.gz AKLARZWWYXICKZ-UHFFFAOYSA-N 0 0 537.576 4.892 1 0 KJAFRN Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 ZINC000049694913 562669999 /nfs/dbraw/zinc/66/99/99/562669999.db2.gz RNYHWTXZYQHTBA-UHFFFAOYSA-N 0 0 534.842 4.858 1 0 KJAFRN Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc(F)cc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc21 ZINC000049694962 562670026 /nfs/dbraw/zinc/67/00/26/562670026.db2.gz NUPRTLYEAIVDEQ-RUZDIDTESA-N 0 0 551.622 4.732 1 0 KJAFRN Cc1ccccc1CN1C[C@H](COC(=O)c2cn(C)c3ccccc23)NC(=O)c2nn(CCc3ccccc3)cc21 ZINC000049694964 562670045 /nfs/dbraw/zinc/67/00/45/562670045.db2.gz NZZMJXPGNXEYHM-AREMUKBSSA-N 0 0 547.659 4.902 1 0 KJAFRN O=C(OC[C@H]1CN(Cc2ccc(F)cc2)c2cn(CCc3ccccc3)nc2C(=O)N1)c1cccc2cnccc21 ZINC000049695030 562670146 /nfs/dbraw/zinc/67/01/46/562670146.db2.gz GTNXRZUPMLDYBU-AREMUKBSSA-N 0 0 549.606 4.789 1 0 KJAFRN CCOC(=O)CO[P@](=O)(NC(C)(C)C(=O)OCC)c1ccc(-c2nc3c(c(CC)cc(F)c3N)n2CC(C)C)o1 ZINC000049695040 562670124 /nfs/dbraw/zinc/67/01/24/562670124.db2.gz SUKOOGZTTMKITD-FAIXQHPJSA-N 0 0 580.594 4.565 1 0 KJAFRN CCOC(=O)CO[P@@](=O)(NC(C)(C)C(=O)OCC)c1ccc(-c2nc3c(c(CC)cc(F)c3N)n2CC(C)C)o1 ZINC000049695041 562670144 /nfs/dbraw/zinc/67/01/44/562670144.db2.gz SUKOOGZTTMKITD-RRHRGVEJSA-N 0 0 580.594 4.565 1 0 KJAFRN Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(Cl)cccc1Cl ZINC000049695086 562670156 /nfs/dbraw/zinc/67/01/56/562670156.db2.gz VNJBBGORZFYSSX-DOEKTCAHSA-N 0 0 630.594 4.706 1 0 KJAFRN Cc1ccc(CN2C[C@H](COC(=O)c3cccc4cnccc43)NC(=O)c3nn(CCc4ccccc4)cc32)cc1 ZINC000049695113 562670185 /nfs/dbraw/zinc/67/01/85/562670185.db2.gz ZQALFDPTBOVJCB-HHHXNRCGSA-N 0 0 545.643 4.958 1 0 KJAFRN COc1ccc(-n2cc(CCCC(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nn2)cc1 ZINC000049695177 562670232 /nfs/dbraw/zinc/67/02/32/562670232.db2.gz POZXHKGYVSZVAB-UHFFFAOYSA-N 0 0 545.515 4.624 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(c2cc(-c3ccccc3)n[nH]c2=O)CC1 ZINC000049695210 562670272 /nfs/dbraw/zinc/67/02/72/562670272.db2.gz RPBNPWUNODXFRC-HYBUGGRVSA-N 0 0 603.592 4.941 1 0 KJAFRN CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(C(N)=O)CC3)cc2OC)ncc1Cl ZINC000049695328 562670421 /nfs/dbraw/zinc/67/04/21/562670421.db2.gz SCNUGLCBAKORRC-UHFFFAOYSA-N 0 0 559.092 4.511 1 0 KJAFRN CCOC(=O)N1CCC(n2ncc3c2nc(-c2ccc(NC(=O)Nc4ccncc4)cc2)nc3N2CCOC[C@@H]2C)CC1 ZINC000049695482 562670603 /nfs/dbraw/zinc/67/06/03/562670603.db2.gz KPXVSFMQOAWOEC-FQEVSTJZSA-N 0 0 585.669 4.551 1 0 KJAFRN CCOC(=O)N1CCC(n2ncc3c2nc(-c2ccc(NC(=O)Nc4ccncc4)cc2)nc3N2CCOC[C@H]2C)CC1 ZINC000049695518 562670660 /nfs/dbraw/zinc/67/06/60/562670660.db2.gz KPXVSFMQOAWOEC-HXUWFJFHSA-N 0 0 585.669 4.551 1 0 KJAFRN CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N[C@H](c2cccc(F)c2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049695565 562670812 /nfs/dbraw/zinc/67/08/12/562670812.db2.gz TZDORXWTPVDOCX-OUMDNPPYSA-N 0 0 533.980 4.602 1 0 KJAFRN COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC2CCCC2)n1 ZINC000049695582 562670791 /nfs/dbraw/zinc/67/07/91/562670791.db2.gz QRIYBUWKTAKGOV-UHFFFAOYSA-N 0 0 559.092 4.683 1 0 KJAFRN COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)NCc4ccncc4)cc3)sc2n1 ZINC000049708310 562670853 /nfs/dbraw/zinc/67/08/53/562670853.db2.gz XINJOXSXDSZPPN-QFIPXVFZSA-N 0 0 551.694 4.876 1 0 KJAFRN COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)NCc4ccncc4)cc3)sc2n1 ZINC000049708314 562670868 /nfs/dbraw/zinc/67/08/68/562670868.db2.gz XINJOXSXDSZPPN-JOCHJYFZSA-N 0 0 551.694 4.876 1 0 KJAFRN COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)N(C)Cc4nccn4C)cc3)sc2n1 ZINC000049708411 562670896 /nfs/dbraw/zinc/67/08/96/562670896.db2.gz BACSXTCCSDYWQS-OAQYLSRUSA-N 0 0 568.725 4.557 1 0 KJAFRN COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)N(C)Cc4nccn4C)cc3)sc2n1 ZINC000049708415 562670911 /nfs/dbraw/zinc/67/09/11/562670911.db2.gz BACSXTCCSDYWQS-NRFANRHFSA-N 0 0 568.725 4.557 1 0 KJAFRN Cc1cnc(Nc2cccc3c2OC(F)(F)O3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1 ZINC000049708969 562671150 /nfs/dbraw/zinc/67/11/50/562671150.db2.gz YUPWBUPSOSSVKV-LJQANCHMSA-N 0 0 527.915 4.962 1 0 KJAFRN CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])ccc1OCCCCNc1cc(C)cc[nH+]1 ZINC000049709069 562671233 /nfs/dbraw/zinc/67/12/33/562671233.db2.gz HUIVUZCGJQLTSS-DEOSSOPVSA-N 0 0 608.639 4.613 1 0 KJAFRN N=C1C(=S)N(c2ccc(I)cc2)C(=S)N1c1ccc(I)cc1 ZINC000049709083 562671235 /nfs/dbraw/zinc/67/12/35/562671235.db2.gz ZKCOQQXAHFQFDJ-UHFFFAOYSA-N 0 0 549.200 4.812 1 0 KJAFRN COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)NCc4ccccn4)cc3)sc2n1 ZINC000049709145 562671209 /nfs/dbraw/zinc/67/12/09/562671209.db2.gz HYBQTOBYBOCQLZ-QFIPXVFZSA-N 0 0 551.694 4.876 1 0 KJAFRN COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)NCc4ccccn4)cc3)sc2n1 ZINC000049709148 562671236 /nfs/dbraw/zinc/67/12/36/562671236.db2.gz HYBQTOBYBOCQLZ-JOCHJYFZSA-N 0 0 551.694 4.876 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(C[C@@H](c3ccccc3)NC2=O)CC1 ZINC000049709249 562671261 /nfs/dbraw/zinc/67/12/61/562671261.db2.gz WUJIDDIKIOHUSX-PTUXOGIPSA-N 0 0 578.582 4.655 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(C[C@H](c3ccccc3)NC2=O)CC1 ZINC000049709251 562671245 /nfs/dbraw/zinc/67/12/45/562671245.db2.gz WUJIDDIKIOHUSX-UEVCKROQSA-N 0 0 578.582 4.655 1 0 KJAFRN Nc1nc2nn(CCc3c(Br)cc(Br)cc3Br)cc2c2nc(-c3ccco3)nn21 ZINC000049709378 562671302 /nfs/dbraw/zinc/67/13/02/562671302.db2.gz JTTVRYLZSDQOTN-UHFFFAOYSA-N 0 0 582.054 4.846 1 0 KJAFRN COc1ccc2c(c1)OCCC/C=C\CCC(C)(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049709597 562671355 /nfs/dbraw/zinc/67/13/55/562671355.db2.gz ZQPMIVQPQJXWKF-CHHYYVIDSA-N 0 0 672.841 4.681 1 0 KJAFRN COc1ccc2c(c1)OCCC/C=C/CCC(C)(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049709603 562671387 /nfs/dbraw/zinc/67/13/87/562671387.db2.gz ZQPMIVQPQJXWKF-MMJDKFCVSA-N 0 0 672.841 4.681 1 0 KJAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)C(F)(F)F)cc(-c3ccccc3)n2)CC1 ZINC000049709610 562671362 /nfs/dbraw/zinc/67/13/62/562671362.db2.gz ZWTRYURUDWMFJO-DEOSSOPVSA-N 0 0 677.721 4.941 1 0 KJAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=S)Nc2ccccc2)C1=O ZINC000049710059 562671511 /nfs/dbraw/zinc/67/15/11/562671511.db2.gz XUKHGMWFDIDCNV-UHSQPCAPSA-N 0 0 547.684 4.541 1 0 KJAFRN Cc1cc(CN2C[C@H](COC(=O)c3cccc4cnccc43)NC(=O)c3nn(CCc4ccccc4)cc32)ccc1O ZINC000049710105 562671549 /nfs/dbraw/zinc/67/15/49/562671549.db2.gz BWNNZNQLHRGAPE-AREMUKBSSA-N 0 0 561.642 4.664 1 0 KJAFRN COc1ccc2c(c1)OCCCCCCC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049710116 562671541 /nfs/dbraw/zinc/67/15/41/562671541.db2.gz GSKRTNPTDULYSS-JKNDTBRMSA-N 0 0 660.830 4.515 1 0 KJAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCCOC)cc(-c3ccccc3)n2)CC1 ZINC000049710124 562671567 /nfs/dbraw/zinc/67/15/67/562671567.db2.gz YMFPCZLGSOEPJQ-MHZLTWQESA-N 0 0 683.803 4.635 1 0 KJAFRN CCN1CCN(C(=O)N[C@H](C(=O)N(C)Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2cccs2)C(=O)C1=O ZINC000049710303 562671666 /nfs/dbraw/zinc/67/16/66/562671666.db2.gz XHGQZWTUWHSLCU-QHCPKHFHSA-N 0 0 572.609 4.534 1 0 KJAFRN CCN1CCN(C(=O)N[C@@H](C(=O)N(C)Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2cccs2)C(=O)C1=O ZINC000049710307 562671622 /nfs/dbraw/zinc/67/16/22/562671622.db2.gz XHGQZWTUWHSLCU-HSZRJFAPSA-N 0 0 572.609 4.534 1 0 KJAFRN Cc1nn(-c2cccc(-c3n[nH]c(=O)[n-]3)c2)c2c1CCN(c1ccc(-c3ccccc3C[NH+]3CCCC3)cc1)C2=O ZINC000049710357 562671664 /nfs/dbraw/zinc/67/16/64/562671664.db2.gz DBOPERRYUICVTA-UHFFFAOYSA-N 0 0 545.647 4.725 1 0 in-vitro KJAFRN COc1ccc2c(c1)OCCCCCCC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049710441 562671681 /nfs/dbraw/zinc/67/16/81/562671681.db2.gz GSKRTNPTDULYSS-DZYKHFBGSA-N 0 0 660.830 4.515 1 0 KJAFRN CCOC(=O)NCCSC(C)(C)[C@H](NC(=O)[C@H](Cc1cc2ccccc2s1)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1 ZINC000049710505 562671671 /nfs/dbraw/zinc/67/16/71/562671671.db2.gz VIPCPQUCMUHIBQ-FUPPJEDESA-N 0 0 635.834 4.524 1 0 KJAFRN O=C(Nc1nc2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc2n1CCCn1ccnc1)c1ccc(Cl)cc1 ZINC000049710835 562671856 /nfs/dbraw/zinc/67/18/56/562671856.db2.gz INSGVVAOIFZAST-UHFFFAOYSA-N 0 0 581.073 4.889 1 0 KJAFRN COC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049710876 562671867 /nfs/dbraw/zinc/67/18/67/562671867.db2.gz KWPXNWIZMPODKX-UHFFFAOYSA-N 0 0 595.744 4.643 1 0 KJAFRN O=C(NN1C(=O)CS[C@@H]1c1ccccc1Cl)c1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccccc2Cl)cc1 ZINC000049711281 562671996 /nfs/dbraw/zinc/67/19/96/562671996.db2.gz XHGBULSKDQINFF-WMPKNSHKSA-N 0 0 587.510 4.831 1 0 KJAFRN O=C(NN1C(=O)CS[C@H]1c1ccccc1Cl)c1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccccc2Cl)cc1 ZINC000049711283 562672001 /nfs/dbraw/zinc/67/20/01/562672001.db2.gz XHGBULSKDQINFF-UIOOFZCWSA-N 0 0 587.510 4.831 1 0 KJAFRN O=C(NN1C(=O)CS[C@@H]1c1ccccc1Cl)c1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 ZINC000049711285 562672002 /nfs/dbraw/zinc/67/20/02/562672002.db2.gz XHGBULSKDQINFF-CLJLJLNGSA-N 0 0 587.510 4.831 1 0 KJAFRN O=C(Nc1nc2cc(S(=O)(=O)NCCc3cccc(F)c3)ccc2n1CCCn1ccnc1)c1ccc(Cl)cc1 ZINC000049722553 562672195 /nfs/dbraw/zinc/67/21/95/562672195.db2.gz RQOFAHRXSNUXIR-UHFFFAOYSA-N 0 0 581.073 4.889 1 0 KJAFRN Cc1cccc(CN2C[C@H](COC(=O)c3cccc4cnccc43)NC(=O)c3nn(CCc4ccccc4)cc32)c1 ZINC000049722612 562672288 /nfs/dbraw/zinc/67/22/88/562672288.db2.gz RSDIRGCGQRMROA-HHHXNRCGSA-N 0 0 545.643 4.958 1 0 KJAFRN Cc1ccc(CN2C[C@H](COC(=O)c3cn(C)c4ccccc34)NC(=O)c3nn(CCc4ccccc4)cc32)cc1 ZINC000049722617 562672270 /nfs/dbraw/zinc/67/22/70/562672270.db2.gz WCVBQRGVBIDZMX-AREMUKBSSA-N 0 0 547.659 4.902 1 0 KJAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)NC(C)C)cc(-c3ccccc3)n2)CC1 ZINC000049722618 562672301 /nfs/dbraw/zinc/67/23/01/562672301.db2.gz VHCBDYYWAGEJBX-MHZLTWQESA-N 0 0 666.820 4.970 1 0 KJAFRN Cc1cc(O)ccc1CN1C[C@@H](COC(=O)c2cn(C)c3ccccc23)NC(=O)c2nn(CCc3ccccc3)cc21 ZINC000049722622 562672290 /nfs/dbraw/zinc/67/22/90/562672290.db2.gz DXCKVMPDYOKFRW-VWLOTQADSA-N 0 0 563.658 4.607 1 0 KJAFRN COc1ccc(CN2C[C@H](COC(=O)c3cn(C)c4ccccc34)NC(=O)c3nn(CCc4ccccc4)cc32)cc1 ZINC000049722656 562672310 /nfs/dbraw/zinc/67/23/10/562672310.db2.gz UEGRKMHHOSOZIU-RUZDIDTESA-N 0 0 563.658 4.602 1 0 KJAFRN Cn1cc(C(=O)OC[C@H]2CN(Cc3ccccc3F)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc21 ZINC000049722658 562672345 /nfs/dbraw/zinc/67/23/45/562672345.db2.gz XTPNIJGZNFYSNJ-XMMPIXPASA-N 0 0 551.622 4.732 1 0 KJAFRN Cc1cc(O)ccc1CN1C[C@H](COC(=O)c2cn(C)c3ccccc23)NC(=O)c2nn(CCc3ccccc3)cc21 ZINC000049722659 562672317 /nfs/dbraw/zinc/67/23/17/562672317.db2.gz DXCKVMPDYOKFRW-RUZDIDTESA-N 0 0 563.658 4.607 1 0 KJAFRN CC(C)(c1cc2cccnc2c(-c2cccc(C[C@@H](c3ccc(S(C)(=O)=O)cc3)S(C)(=O)=O)c2)c1)S(C)(=O)=O ZINC000049722707 562672400 /nfs/dbraw/zinc/67/24/00/562672400.db2.gz NQABHMIQSRWDFD-MHZLTWQESA-N 0 0 585.769 4.913 1 0 KJAFRN CC(C)(c1cc2cccnc2c(-c2cccc(C[C@H](c3ccc(S(C)(=O)=O)cc3)S(C)(=O)=O)c2)c1)S(C)(=O)=O ZINC000049722708 562672426 /nfs/dbraw/zinc/67/24/26/562672426.db2.gz NQABHMIQSRWDFD-HHHXNRCGSA-N 0 0 585.769 4.913 1 0 KJAFRN COc1ccc2c(c1)OCCCCCCCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049722748 562672475 /nfs/dbraw/zinc/67/24/75/562672475.db2.gz RMTJFBGMEPVVGM-BCQBCCTLSA-N 0 0 660.830 4.659 1 0 KJAFRN [NH3+][C@@H](Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000049722843 562672584 /nfs/dbraw/zinc/67/25/84/562672584.db2.gz PPIBKGDCJKNBMT-IGMOWHQGSA-N 0 0 694.832 4.962 1 0 KJAFRN Cc1cc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000049722844 562672613 /nfs/dbraw/zinc/67/26/13/562672613.db2.gz XFOZSAVZRIOTDF-LQJZCPKCSA-N 0 0 575.709 4.851 1 0 KJAFRN CO[C@@H](CNc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1 ZINC000049722847 562672622 /nfs/dbraw/zinc/67/26/22/562672622.db2.gz LSTHODNAKCJZGR-FEQZCBRZSA-N 0 0 724.827 4.907 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)Cc1ccccc1NC2=O ZINC000049723136 562672962 /nfs/dbraw/zinc/67/29/62/562672962.db2.gz RZQOPRHUTZZKEV-XMSQKQJNSA-N 0 0 564.555 4.588 1 0 KJAFRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1(C(=O)OCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000049723265 562673129 /nfs/dbraw/zinc/67/31/29/562673129.db2.gz ZQOVJIQIIVOYGO-UHFFFAOYSA-N 0 0 531.527 4.964 1 0 KJAFRN COc1ccc(CNC(=O)c2ccc3c(c2)N=C(/C=C/c2ccccc2)N(CCN2CCOCC2)C3)cc1 ZINC000049723367 562673327 /nfs/dbraw/zinc/67/33/27/562673327.db2.gz COFYUVMKZQAOAF-NTEUORMPSA-N 0 0 510.638 4.516 1 0 KJAFRN CC(C)c1nc(CON[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@H]3OCC[C@@H]32)C(C)C)cs1 ZINC000049733722 562673307 /nfs/dbraw/zinc/67/33/07/562673307.db2.gz DVSKUDFZQALTTH-RUZGXYMESA-N 0 0 694.895 4.890 1 0 KJAFRN CC(C)c1nc(CON[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@@H]3OCC[C@H]23)C(C)C)cs1 ZINC000049733726 562673319 /nfs/dbraw/zinc/67/33/19/562673319.db2.gz DVSKUDFZQALTTH-MAIXVEQRSA-N 0 0 694.895 4.890 1 0 KJAFRN CC(C)c1nc(CON[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@H]3OCC[C@@H]32)C(C)C)cs1 ZINC000049733864 562673350 /nfs/dbraw/zinc/67/33/50/562673350.db2.gz DVSKUDFZQALTTH-JUTZWRLJSA-N 0 0 694.895 4.890 1 0 KJAFRN CC(C)c1nc(CON[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CO[C@@H]3OCC[C@H]23)C(C)C)cs1 ZINC000049733869 562673360 /nfs/dbraw/zinc/67/33/60/562673360.db2.gz DVSKUDFZQALTTH-ZQDGEBDOSA-N 0 0 694.895 4.890 1 0 KJAFRN CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C(=O)[C@@H](C)C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049734089 562673382 /nfs/dbraw/zinc/67/33/82/562673382.db2.gz YOTQJNCLAPEVIZ-XBKMSDSMSA-N 0 0 584.750 4.739 1 0 KJAFRN COC(=O)c1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H](COCc2ccc(C(=O)OC)cc2)OCc2ccccc2)cc1 ZINC000049739217 562673444 /nfs/dbraw/zinc/67/34/44/562673444.db2.gz KCVGKHMVTMBGSD-VKAPFSNZSA-N 0 0 658.744 4.886 1 0 KJAFRN CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)c2cccc(Cl)c2)s1 ZINC000049739946 562673455 /nfs/dbraw/zinc/67/34/55/562673455.db2.gz ASARHVCSPUZKHN-RFBIWTDZSA-N 0 0 502.003 4.797 1 0 KJAFRN CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)c2ccccc2Br)s1 ZINC000049739955 562673479 /nfs/dbraw/zinc/67/34/79/562673479.db2.gz ZMACNGBZJCMAKN-RFBIWTDZSA-N 0 0 546.454 4.906 1 0 KJAFRN CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)c2ccc(Cl)cc2)s1 ZINC000049739961 562673489 /nfs/dbraw/zinc/67/34/89/562673489.db2.gz UTRXWAYKTZBXNE-RFBIWTDZSA-N 0 0 502.003 4.797 1 0 KJAFRN Cc1cc(N)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(Cl)cccc1Cl ZINC000049745041 562673666 /nfs/dbraw/zinc/67/36/66/562673666.db2.gz BGZYWFDLISWPOX-BTIIJPOSSA-N 0 0 673.663 4.656 1 0 KJAFRN CC(C)(c1cc2cccnc2c(-c2cccc(C[C@](F)(c3ccc(S(C)(=O)=O)cc3)S(C)(=O)=O)c2)c1)S(C)(=O)=O ZINC000049745209 562673781 /nfs/dbraw/zinc/67/37/81/562673781.db2.gz WQULMASHBWSKLG-GDLZYMKVSA-N 0 0 603.759 4.995 1 0 KJAFRN CC(C)(c1cc2cccnc2c(-c2cccc(C[C@@](F)(c3ccc(S(C)(=O)=O)cc3)S(C)(=O)=O)c2)c1)S(C)(=O)=O ZINC000049745211 562673780 /nfs/dbraw/zinc/67/37/80/562673780.db2.gz WQULMASHBWSKLG-LJAQVGFWSA-N 0 0 603.759 4.995 1 0 KJAFRN CC1(C)CC[C@@H](c2c(F)cccc2F)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)c3cccnc3NC2=O)C1=O ZINC000049745284 562673815 /nfs/dbraw/zinc/67/38/15/562673815.db2.gz UWBXRAVIBQMGMK-JHOBJCJYSA-N 0 0 530.575 4.677 1 0 KJAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(CC[NH+]4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049745653 562674023 /nfs/dbraw/zinc/67/40/23/562674023.db2.gz XIHHGJKVYXBSLG-YTTGMZPUSA-N 0 0 690.886 4.885 1 0 KJAFRN COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)[C@@](Cc3cc[nH]n3)(Cc3[nH]nc4ccccc43)C2=O)C(C)C)cc1 ZINC000049745979 562674164 /nfs/dbraw/zinc/67/41/64/562674164.db2.gz JGMDZJQNTNTJQG-DHUJRADRSA-N 0 0 617.710 4.854 1 0 KJAFRN COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)[C@](Cc3cc[nH]n3)(Cc3[nH]nc4ccccc43)C2=O)C(C)C)cc1 ZINC000049745981 562674158 /nfs/dbraw/zinc/67/41/58/562674158.db2.gz JGMDZJQNTNTJQG-PGUFJCEWSA-N 0 0 617.710 4.854 1 0 KJAFRN O=C(c1ccccc1Cl)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746165 562674286 /nfs/dbraw/zinc/67/42/86/562674286.db2.gz ZMBNIOOXNAOASY-UHFFFAOYSA-N 0 0 587.041 4.775 1 0 KJAFRN O=C(c1cccc(Cl)c1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746167 562674275 /nfs/dbraw/zinc/67/42/75/562674275.db2.gz NXZLEGQRQRCEMR-UHFFFAOYSA-N 0 0 587.041 4.775 1 0 KJAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C[NH+](CC)CC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049746176 562674313 /nfs/dbraw/zinc/67/43/13/562674313.db2.gz MYHNIJJCSIATFP-HKBQPEDESA-N 0 0 678.875 4.741 1 0 KJAFRN O=C(c1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746309 562674391 /nfs/dbraw/zinc/67/43/91/562674391.db2.gz OJSUGALSWDZDPW-UHFFFAOYSA-N 0 0 587.041 4.775 1 0 KJAFRN CC(C)n1cnc(CCNc2nc3c(ncn3[C@@H]3C[C@H](NC(=O)Cc4ccccc4)[C@@H](O)[C@H]3O)c(NCC(c3ccccc3)c3ccccc3)n2)c1 ZINC000049746317 562674369 /nfs/dbraw/zinc/67/43/69/562674369.db2.gz XXBBLDMMOUVMOK-PNAREQLXSA-N 0 0 699.860 4.896 1 0 KJAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CC[NH+](C(C)C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049746344 562674387 /nfs/dbraw/zinc/67/43/87/562674387.db2.gz GUBGDGVNPNXEAE-PMERELPUSA-N 0 0 665.832 4.682 1 0 KJAFRN CC(C)[C@@]12CC[C@]3(CO)CC[C@]4(C)C(=C31)[C@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(C)c(=O)n12 ZINC000049746388 562674434 /nfs/dbraw/zinc/67/44/34/562674434.db2.gz WCNQECSXFPRYBM-ZERXBXBZSA-N 0 0 553.788 4.747 1 0 KJAFRN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)CC1 ZINC000049746467 562674414 /nfs/dbraw/zinc/67/44/14/562674414.db2.gz RGUYWJIIGGMBKL-UHFFFAOYSA-N 0 0 673.776 4.845 1 0 KJAFRN CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCN3CCOCC3)cc2)CC(C)(C)c2c3ccc(F)cc3[nH]c21 ZINC000049746667 562674543 /nfs/dbraw/zinc/67/45/43/562674543.db2.gz MQJXATYHWGVGKI-UHFFFAOYSA-N 0 0 549.643 4.744 1 0 KJAFRN COc1cc(CNC(=O)CCC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049746753 562674611 /nfs/dbraw/zinc/67/46/11/562674611.db2.gz GCCOPODOZMYDFM-PMERELPUSA-N 0 0 566.098 4.696 1 0 KJAFRN COc1cc(CNC(=O)CCC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049746755 562674605 /nfs/dbraw/zinc/67/46/05/562674605.db2.gz GCCOPODOZMYDFM-SSEXGKCCSA-N 0 0 566.098 4.696 1 0 KJAFRN CCn1nc(C[C@]2(OC)C(=O)N(CC(=O)N(c3ccc(OC)cc3)C(C)C)C=CN(c3ccccc3)C2=O)c2ccccc21 ZINC000049746777 562674585 /nfs/dbraw/zinc/67/45/85/562674585.db2.gz FFWIQHGRRNUGOH-UMSFTDKQSA-N 0 0 595.700 4.781 1 0 KJAFRN CCn1nc(C[C@@]2(OC)C(=O)N(CC(=O)N(c3ccc(OC)cc3)C(C)C)C=CN(c3ccccc3)C2=O)c2ccccc21 ZINC000049746779 562674613 /nfs/dbraw/zinc/67/46/13/562674613.db2.gz FFWIQHGRRNUGOH-UUWRZZSWSA-N 0 0 595.700 4.781 1 0 KJAFRN CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC([NH+]4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049746926 562674700 /nfs/dbraw/zinc/67/47/00/562674700.db2.gz GTDLVZKVJAJGRX-HKBQPEDESA-N 0 0 676.859 4.638 1 0 KJAFRN CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049748365 562674732 /nfs/dbraw/zinc/67/47/32/562674732.db2.gz XOCXXEYUGYTCNG-UPBRIKLCSA-N 0 0 586.766 4.531 1 0 KJAFRN CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)c2cccc(Br)c2)s1 ZINC000049748891 562674746 /nfs/dbraw/zinc/67/47/46/562674746.db2.gz CUVQQYZUXYIAFH-RFBIWTDZSA-N 0 0 546.454 4.906 1 0 KJAFRN CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)c2ccc(Br)cc2)s1 ZINC000049748911 562674738 /nfs/dbraw/zinc/67/47/38/562674738.db2.gz CUDGKYCBKWDODT-RFBIWTDZSA-N 0 0 546.454 4.906 1 0 KJAFRN O=C(c1ccc(C(F)(F)F)nc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049756060 562674808 /nfs/dbraw/zinc/67/48/08/562674808.db2.gz JXGZVPQNJLPIJI-UHFFFAOYSA-N 0 0 621.581 4.535 1 0 KJAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCOc3ccc(S(C)(=O)=O)cc3)c2)cc1 ZINC000049756451 562675031 /nfs/dbraw/zinc/67/50/31/562675031.db2.gz PAWQUQKYUGKVJI-PSXMRANNSA-N 0 0 690.723 4.701 1 0 KJAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCOc3ccc(S(C)(=O)=O)cc3)c2)cc1 ZINC000049756453 562675083 /nfs/dbraw/zinc/67/50/83/562675083.db2.gz PAWQUQKYUGKVJI-BHVANESWSA-N 0 0 690.723 4.701 1 0 KJAFRN COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)C=Cc2ccc(C)cc2)ccc1O ZINC000049756584 562675129 /nfs/dbraw/zinc/67/51/29/562675129.db2.gz CVYGBSGGPROVBX-BVFSNSLPSA-N 0 0 626.614 4.935 1 0 KJAFRN COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)C=Cc2ccc(C)cc2)ccc1O ZINC000049756586 562675123 /nfs/dbraw/zinc/67/51/23/562675123.db2.gz CVYGBSGGPROVBX-ZMQBDGCFSA-N 0 0 626.614 4.935 1 0 KJAFRN COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)C=Cc2ccc(C)cc2)ccc1O ZINC000049756589 562675120 /nfs/dbraw/zinc/67/51/20/562675120.db2.gz CVYGBSGGPROVBX-QYUQWTINSA-N 0 0 626.614 4.935 1 0 KJAFRN COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)C=Cc2ccc(C)cc2)ccc1O ZINC000049756591 562675096 /nfs/dbraw/zinc/67/50/96/562675096.db2.gz CVYGBSGGPROVBX-BWRTUTESSA-N 0 0 626.614 4.935 1 0 KJAFRN CN1CCN(Cc2cc3nc(-c4ccc(NC(=O)Nc5cccnc5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049756593 562675126 /nfs/dbraw/zinc/67/51/26/562675126.db2.gz IHBUIHVFHMETRB-PSWAGMNNSA-N 0 0 570.723 4.512 1 0 KJAFRN CCc1nc2c([nH]1)c(I)c(I)c(I)c2I ZINC000049756641 562675154 /nfs/dbraw/zinc/67/51/54/562675154.db2.gz FBZKQBVUJOMATN-UHFFFAOYSA-N 0 0 649.777 4.544 1 0 KJAFRN COc1cc(Nc2nc(NCCCNc3ccnc4cc(Cl)ccc43)nc(N3CCOCC3)n2)cc(OC)c1 ZINC000049756662 562675174 /nfs/dbraw/zinc/67/51/74/562675174.db2.gz URECETULQIOPBA-UHFFFAOYSA-N 0 0 551.051 4.585 1 0 KJAFRN COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049756684 562675151 /nfs/dbraw/zinc/67/51/51/562675151.db2.gz RCPCBCZYOSYXSU-WZFJQBBKSA-N 0 0 620.994 4.881 1 0 KJAFRN COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049756687 562675164 /nfs/dbraw/zinc/67/51/64/562675164.db2.gz RCPCBCZYOSYXSU-GFOCBTRVSA-N 0 0 620.994 4.881 1 0 KJAFRN COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049756690 562675145 /nfs/dbraw/zinc/67/51/45/562675145.db2.gz RCPCBCZYOSYXSU-HMAILUFVSA-N 0 0 620.994 4.881 1 0 KJAFRN 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0 562.686 4.751 1 0 KJAFRN O=C(Nc1cccc(-c2ccnc3c(-c4cnc(N5CCOCC5)nc4)cnn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049780378 562681669 /nfs/dbraw/zinc/68/16/69/562681669.db2.gz QKFNOCRNIKWHQY-UHFFFAOYSA-N 0 0 545.525 4.961 1 0 KJAFRN O=C(CC[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000049780396 562681678 /nfs/dbraw/zinc/68/16/78/562681678.db2.gz XOSSMUDGYBDYEN-SANMLTNESA-N 0 0 550.080 4.553 1 0 KJAFRN O=C(CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000049780397 562681651 /nfs/dbraw/zinc/68/16/51/562681651.db2.gz XOSSMUDGYBDYEN-AREMUKBSSA-N 0 0 550.080 4.553 1 0 KJAFRN CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5cccc(F)c5)nc(-c5cccc(F)c5)c4)CC3)CC2)CC1 ZINC000049780410 562681705 /nfs/dbraw/zinc/68/17/05/562681705.db2.gz YJXBRCUJWFMAEL-UHFFFAOYSA-N 0 0 615.725 4.701 1 0 KJAFRN COc1cc(C(=O)Oc2ccc(Cl)cc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000049780566 562681908 /nfs/dbraw/zinc/68/19/08/562681908.db2.gz OXKRYQJLENDTFB-UHFFFAOYSA-N 0 0 532.929 4.830 1 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562682499 /nfs/dbraw/zinc/68/24/99/562682499.db2.gz UQVZOXIXMAJWBW-PDVBFRJSSA-N 0 0 557.572 4.920 1 0 KJAFRN CN(C)C(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049781228 562682808 /nfs/dbraw/zinc/68/28/08/562682808.db2.gz QRWFRDCNTKWFDB-UHFFFAOYSA-N 0 0 608.787 4.558 1 0 KJAFRN CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc5c(ccn5CC(F)(F)F)c(N5CCOCC5)n4)cc3)cc2)CC1 ZINC000049781258 562682841 /nfs/dbraw/zinc/68/28/41/562682841.db2.gz UMANUGUGHDROEQ-UHFFFAOYSA-N 0 0 622.652 4.529 1 0 KJAFRN CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(SCc4ccccc4)c3)nn2CCCN2CCOCC2)C1 ZINC000049781317 562682945 /nfs/dbraw/zinc/68/29/45/562682945.db2.gz ZBWUTJLXFUIENK-UHFFFAOYSA-N 0 0 561.173 4.536 1 0 KJAFRN CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(F)cc5)c4)CC3)CC2)CC1 ZINC000049781370 562682971 /nfs/dbraw/zinc/68/29/71/562682971.db2.gz CPNLFIHZBCHUQT-UHFFFAOYSA-N 0 0 597.735 4.562 1 0 KJAFRN CO[C@@H]1O[C@H](COc2ccc(-c3ccccc3)cc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049783625 562683145 /nfs/dbraw/zinc/68/31/45/562683145.db2.gz NVOPHWVRCXATHQ-PXPWAULYSA-N 0 0 520.622 4.985 1 0 KJAFRN Nc1ncnc2c1ncn2[C@@H]1O[C@H](OC[P@](=O)(N[C@@H](Cc2ccccc2)C(=O)OCC2CCC2)Oc2ccccc2)C=C1F ZINC000049783643 562683136 /nfs/dbraw/zinc/68/31/36/562683136.db2.gz WVNWUZXUJITRTL-QGMUNMIESA-N 0 0 622.594 4.907 1 0 KJAFRN Nc1ncnc2c1ncn2[C@@H]1O[C@H](OC[P@@](=O)(N[C@@H](Cc2ccccc2)C(=O)OCC2CCC2)Oc2ccccc2)C=C1F ZINC000049783644 562683142 /nfs/dbraw/zinc/68/31/42/562683142.db2.gz WVNWUZXUJITRTL-OQONKYEOSA-N 0 0 622.594 4.907 1 0 KJAFRN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCN2)c1 ZINC000049783807 562683238 /nfs/dbraw/zinc/68/32/38/562683238.db2.gz UGPIQABPMNKODT-QAXCHELISA-N 0 0 691.241 4.554 1 0 KJAFRN CCCOC(=O)[C@H](Cc1ccccc1)N[P@](=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c2ncnc3N)O1)Oc1ccccc1 ZINC000049783844 562683277 /nfs/dbraw/zinc/68/32/77/562683277.db2.gz PIARMJQGMLWOLE-LDBGUYRQSA-N 0 0 596.556 4.517 1 0 KJAFRN O=C(CC[C@H](NS(=O)(=O)c1ccc(Br)c2ccccc21)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000049784043 562683378 /nfs/dbraw/zinc/68/33/78/562683378.db2.gz BMZZULPGWGWVKW-SANMLTNESA-N 0 0 594.531 4.662 1 0 KJAFRN O=C(CC[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc21)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000049784044 562683384 /nfs/dbraw/zinc/68/33/84/562683384.db2.gz BMZZULPGWGWVKW-AREMUKBSSA-N 0 0 594.531 4.662 1 0 KJAFRN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCOc4ccccc4)c3)nn2CCCN2CCOCC2)C1 ZINC000049784186 562683487 /nfs/dbraw/zinc/68/34/87/562683487.db2.gz CRFUVFCMXAJMTL-UHFFFAOYSA-N 0 0 624.751 4.780 1 0 KJAFRN O=C1NCc2cc(Br)cc(c2)CNC(=O)c2coc(n2)-c2coc(n2)-c2cccc(n2)-c2nc(co2)-c2nc1co2 ZINC000049784282 562683540 /nfs/dbraw/zinc/68/35/40/562683540.db2.gz CXBNVFBACGIYNC-UHFFFAOYSA-N 0 0 614.372 4.638 1 0 KJAFRN CC(C)(C)[C@H](NC(=O)NC1(Cc2cccc3ccccc32)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C ZINC000049784481 562683633 /nfs/dbraw/zinc/68/36/33/562683633.db2.gz CBZWWNCSVFDXRF-WRPDIKACSA-N 0 0 671.883 4.621 1 0 KJAFRN CC(C)(C)[C@H](NC(=O)NC1(Cc2cccc3ccccc32)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CC1)C(=O)C(N)=O)C2(C)C ZINC000049784482 562683618 /nfs/dbraw/zinc/68/36/18/562683618.db2.gz CBZWWNCSVFDXRF-QEIYHMDRSA-N 0 0 671.883 4.621 1 0 KJAFRN O=C1CN(Cc2ccccc2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3Br)N12 ZINC000049784621 562683675 /nfs/dbraw/zinc/68/36/75/562683675.db2.gz UJSPLYGHRKDZNE-BVAGGSTKSA-N 0 0 500.396 4.816 1 0 KJAFRN C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C ZINC000049784917 562683825 /nfs/dbraw/zinc/68/38/25/562683825.db2.gz ZVFCKHLBNXUAAD-AVTDRASNSA-N 0 0 588.826 4.543 1 0 KJAFRN CCn1cc(-c2ccnc3[nH]c(C(=O)NCCN4CCOCC4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049784960 562683864 /nfs/dbraw/zinc/68/38/64/562683864.db2.gz YIHZVWLMRQCELC-UHFFFAOYSA-N 0 0 578.677 4.819 1 0 KJAFRN Cc1cn(-c2cc(C(=O)Nc3cccc(-c4nccn4-c4ccnc(NC[C@H](C)O)n4)c3)cc(C(F)(F)F)c2)cn1 ZINC000049786160 562684283 /nfs/dbraw/zinc/68/42/83/562684283.db2.gz FIJQBWFZUNEGGS-SFHVURJKSA-N 0 0 562.556 4.887 1 0 KJAFRN COC(=O)C[C@H]1[C@@]2(C)CO[C@]3(O)[C@@H](C=C4[C@H](CC[C@@]5(C)[C@H](c6ccoc6)OC(=O)C[C@@]45O)[C@]13C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000049792036 562684295 /nfs/dbraw/zinc/68/42/95/562684295.db2.gz JKHVALJIGRIJJO-PUQCIWEUSA-N 0 0 632.706 4.521 1 0 KJAFRN C[C@H](O)CNc1nccc(-n2ccnc2-c2cccc(NC(=O)Nc3ccc(N4CCOCC4)c(C(F)(F)F)c3)c2)n1 ZINC000049792082 562684341 /nfs/dbraw/zinc/68/43/41/562684341.db2.gz ASWUBISYJRGUGG-SFHVURJKSA-N 0 0 582.587 4.621 1 0 KJAFRN CO[C@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000049792257 562684308 /nfs/dbraw/zinc/68/43/08/562684308.db2.gz NMIXDARFKVGBJR-FSHMXENQSA-N 0 0 632.879 4.773 1 0 KJAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)S1(=O)=O ZINC000049792298 562684379 /nfs/dbraw/zinc/68/43/79/562684379.db2.gz WPMSUJIOSJKBDT-YSBXLBHBSA-N 0 0 638.830 4.629 1 0 KJAFRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCc1ccccc1 ZINC000049792581 562684436 /nfs/dbraw/zinc/68/44/36/562684436.db2.gz ZHBVMCTZNVZERT-LVKPSMPKSA-N 0 0 652.877 4.888 1 0 KJAFRN CC(C)S(=O)(=O)c1cc(C(N)=O)cc2nc(NCc3ccccc3Cl)n(C[C@H]3CCCCC[C@H]3O)c21 ZINC000049793166 562684584 /nfs/dbraw/zinc/68/45/84/562684584.db2.gz ASQCYBXJIGCHCM-XMSQKQJNSA-N 0 0 533.094 4.524 1 0 KJAFRN CCCCS(=O)(=O)NC[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000049793197 562684635 /nfs/dbraw/zinc/68/46/35/562684635.db2.gz QWBILLVFMGZGEJ-UXSWERMXSA-N 0 0 548.073 4.816 1 0 KJAFRN NS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1 ZINC000049793230 562684648 /nfs/dbraw/zinc/68/46/48/562684648.db2.gz SZLMFNKKFJUHKQ-UHFFFAOYSA-N 0 0 508.836 4.539 1 0 in-vitro KJAFRN CC[C@@H]1C[C@@H]2[C@@H](CC[C@@]3(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c4c(F)ccc(F)c4OC[C@@H]23)NS1(=O)=O ZINC000049793320 562684710 /nfs/dbraw/zinc/68/47/10/562684710.db2.gz AUQBDVFQGQPNMV-ZTJBWJTDSA-N 0 0 565.582 4.542 1 0 KJAFRN CCN(C[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)S(=O)(=O)C1CC1 ZINC000049793422 562684805 /nfs/dbraw/zinc/68/48/05/562684805.db2.gz JLBANJOQHPRYPS-BLRRAGTOSA-N 0 0 560.084 4.910 1 0 KJAFRN COc1ccc([C@@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=c3s/c(=C/c4ccc(Cl)cc4)c(=O)n32)cc1OC ZINC000049793462 562684862 /nfs/dbraw/zinc/68/48/62/562684862.db2.gz IQGOUTDRFISFHH-IRCUHDKISA-N 0 0 559.087 4.821 1 0 KJAFRN COc1ccc([C@H]2C(=O)[C@H](c3ccc4c(c3)CCCC4)N=c3s/c(=C/c4ccc(Cl)cc4)c(=O)n32)cc1OC ZINC000049793463 562684837 /nfs/dbraw/zinc/68/48/37/562684837.db2.gz IQGOUTDRFISFHH-MQKFGKPMSA-N 0 0 559.087 4.821 1 0 KJAFRN COc1ccc([C@@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=c3s/c(=C/c4ccc(Cl)cc4)c(=O)n32)cc1OC ZINC000049793464 562684830 /nfs/dbraw/zinc/68/48/30/562684830.db2.gz IQGOUTDRFISFHH-TWNMRXRKSA-N 0 0 559.087 4.821 1 0 KJAFRN COc1ccc([C@H]2C(=O)[C@@H](c3ccc4c(c3)CCCC4)N=c3s/c(=C/c4ccc(Cl)cc4)c(=O)n32)cc1OC ZINC000049793465 562684827 /nfs/dbraw/zinc/68/48/27/562684827.db2.gz IQGOUTDRFISFHH-BKYUAGOISA-N 0 0 559.087 4.821 1 0 KJAFRN CCCC[C@H](NC(=O)O[C@@H]1CN(C(=O)Nc2ccccc2)CC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000049793499 562684882 /nfs/dbraw/zinc/68/48/82/562684882.db2.gz CRTKFXJEGYAXKF-FGCOXFRFSA-N 0 0 522.646 4.660 1 0 KJAFRN CCN(C[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)S(=O)(=O)CC ZINC000049793508 562684933 /nfs/dbraw/zinc/68/49/33/562684933.db2.gz KNSAOEFQEGSOMJ-UXSWERMXSA-N 0 0 548.073 4.768 1 0 KJAFRN CCCCCNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Br)c2ccccc21)C(=O)NCCCCC ZINC000049793565 562684953 /nfs/dbraw/zinc/68/49/53/562684953.db2.gz RFYPCVYSZOIWLU-QFIPXVFZSA-N 0 0 554.551 4.642 1 0 KJAFRN CCCCCNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc21)C(=O)NCCCCC ZINC000049793566 562684975 /nfs/dbraw/zinc/68/49/75/562684975.db2.gz RFYPCVYSZOIWLU-JOCHJYFZSA-N 0 0 554.551 4.642 1 0 KJAFRN O=S(=O)(NC[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)C1CCC1 ZINC000049793580 562684980 /nfs/dbraw/zinc/68/49/80/562684980.db2.gz QKOXDHSQUZIVKP-KFSOKAEPSA-N 0 0 546.057 4.568 1 0 KJAFRN CCOC(=O)CNC(=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 ZINC000049793690 562685110 /nfs/dbraw/zinc/68/51/10/562685110.db2.gz CCMMIUKQUJOTAO-URLMMPGGSA-N 0 0 715.244 4.706 1 0 KJAFRN CCOC(=O)CNC(=O)C(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 ZINC000049793691 562685104 /nfs/dbraw/zinc/68/51/04/562685104.db2.gz CCMMIUKQUJOTAO-VMPREFPWSA-N 0 0 715.244 4.706 1 0 KJAFRN CC(C)(C)[C@H](NC(=O)NC1(Cc2ccc3ccccc3c2)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C ZINC000049793707 562685100 /nfs/dbraw/zinc/68/51/00/562685100.db2.gz PZLUEWXSRSZWAP-WRPDIKACSA-N 0 0 671.883 4.621 1 0 KJAFRN 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/nfs/dbraw/zinc/68/51/24/562685124.db2.gz ODEHDNWFMMOFOF-ZQHBMWIYSA-N 0 0 548.624 4.814 1 0 KJAFRN CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(SCCc4ccccc4)c3)nn2CCCN2CCOCC2)C1 ZINC000049793793 562685157 /nfs/dbraw/zinc/68/51/57/562685157.db2.gz RBSBMMSHFBFKBM-UHFFFAOYSA-N 0 0 575.200 4.578 1 0 KJAFRN CC(=O)NCCc1c[nH]c2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 ZINC000049793968 562685312 /nfs/dbraw/zinc/68/53/12/562685312.db2.gz GNQUIGRVFLTMRQ-UHFFFAOYSA-N 0 0 501.627 4.916 1 0 KJAFRN C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5(C)C ZINC000049794026 562685310 /nfs/dbraw/zinc/68/53/10/562685310.db2.gz QFMGCFIFVIVJLB-RWWGMUTBSA-N 0 0 600.837 4.924 1 0 KJAFRN C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000049794027 562685319 /nfs/dbraw/zinc/68/53/19/562685319.db2.gz QFMGCFIFVIVJLB-LZRINOBGSA-N 0 0 600.837 4.924 1 0 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544.602 4.855 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21 ZINC000049802849 562685941 /nfs/dbraw/zinc/68/59/41/562685941.db2.gz LJQAULJXNZCKEJ-NJHZRGNWSA-N 0 0 520.629 4.856 1 0 KJAFRN O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21 ZINC000049802933 562685956 /nfs/dbraw/zinc/68/59/56/562685956.db2.gz YTRHOROJBBRRKP-DLLPINGYSA-N 0 0 536.628 4.562 1 0 KJAFRN CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCCN5CCOCC5)cc43)ccc2s1 ZINC000049803037 562685990 /nfs/dbraw/zinc/68/59/90/562685990.db2.gz MVUGCUYTCICLBZ-UHFFFAOYSA-N 0 0 522.627 4.875 1 0 KJAFRN CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN5CCOCC5)c(OC)cc43)ccc2s1 ZINC000049803112 562686054 /nfs/dbraw/zinc/68/60/54/562686054.db2.gz JJOJDJSGNMQABQ-UHFFFAOYSA-N 0 0 522.627 4.875 1 0 KJAFRN O=C1NCc2cccc(c2)CNC(=O)c2coc(n2)-c2coc(n2)-c2cc(Br)cc(n2)-c2nc(co2)-c2nc1co2 ZINC000049803146 562686061 /nfs/dbraw/zinc/68/60/61/562686061.db2.gz IJYQJPZZBBMFFM-UHFFFAOYSA-N 0 0 614.372 4.638 1 0 KJAFRN COc1ccc(-c2csc(NC(=O)[C@@H](CC3CCOCC3)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000049803539 562686170 /nfs/dbraw/zinc/68/61/70/562686170.db2.gz GQCUFUQRUVNCOD-QFIPXVFZSA-N 0 0 500.642 4.761 1 0 KJAFRN COc1ccc(-c2csc(NC(=O)[C@H](CC3CCOCC3)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000049803540 562686169 /nfs/dbraw/zinc/68/61/69/562686169.db2.gz GQCUFUQRUVNCOD-JOCHJYFZSA-N 0 0 500.642 4.761 1 0 KJAFRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(C)=C(C(=O)OC)C1[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000049803545 562686176 /nfs/dbraw/zinc/68/61/76/562686176.db2.gz AJAYSRBTJRXDRF-NFAPWKBDSA-N 0 0 563.647 4.787 1 0 KJAFRN C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc32)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](C)C1 ZINC000049803792 562686241 /nfs/dbraw/zinc/68/62/41/562686241.db2.gz DHQOFPFBUAFCRJ-GFUVCHAISA-N 0 0 725.681 4.674 1 0 in-vitro KJAFRN CO[C@]1(C[C@@H]2C(=O)N[C@@H](c3ccc(O)cc3)CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)OC(=O)Nc2ccccc21 ZINC000049807537 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4.813 1 0 KJAFRN O=C(NN1C(=O)CN(C2CCCCC2)C1=S)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000049808140 562686605 /nfs/dbraw/zinc/68/66/05/562686605.db2.gz UWFYFHDCIKIOIT-UHFFFAOYSA-N 0 0 531.682 4.826 1 0 KJAFRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(C)=C(C(=O)OC)C1[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000049808414 562686633 /nfs/dbraw/zinc/68/66/33/562686633.db2.gz RJKWXSSFLQMQPE-OWWCKCFISA-N 0 0 567.610 4.618 1 0 KJAFRN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049808477 562686676 /nfs/dbraw/zinc/68/66/76/562686676.db2.gz DZZQSMYRZGWURM-WUFINQPMSA-N 0 0 604.695 4.881 1 0 KJAFRN C[C@@H]1C[C@@]2(N[C@H](CC(=O)c3ccccc3)CS2)[C@@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 ZINC000049814023 562686741 /nfs/dbraw/zinc/68/67/41/562686741.db2.gz QLOXEHSFCJJZSE-LLHCDRIDSA-N 0 0 721.913 4.562 1 0 KJAFRN C[C@@H]1C[C@@]2(N[C@H](CC(=O)c3ccccc3)CS2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 ZINC000049814026 562686753 /nfs/dbraw/zinc/68/67/53/562686753.db2.gz QLOXEHSFCJJZSE-ARTXJGEKSA-N 0 0 721.913 4.562 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049817359 562686847 /nfs/dbraw/zinc/68/68/47/562686847.db2.gz YAOSIGBNGZRGFR-IKYOIFQTSA-N 0 0 686.875 4.899 1 0 KJAFRN C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)OC(C)=O ZINC000049823261 562687152 /nfs/dbraw/zinc/68/71/52/562687152.db2.gz XDSYTCKUOLOFAP-WSJTUFDFSA-N 0 0 635.839 4.868 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]3C(=C[C@H](OC(C)=O)[C@@H]12)[C@@H]1CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]1(C)C[C@H]3O ZINC000049823344 562687179 /nfs/dbraw/zinc/68/71/79/562687179.db2.gz SUIRSZOPEPPNGJ-JGEDILIOSA-N 0 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[NH3+][C@@H](Cn1c(=O)c(-c2ccc(CSCC(=O)[O-])cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049889048 562691728 /nfs/dbraw/zinc/69/17/28/562691728.db2.gz NRLWTIIVKXPCSZ-VWLOTQADSA-N 0 0 587.595 4.901 1 0 KJAFRN Cc1ccc([C@@H](CC(N)=O)NC(=O)CC(=O)Nc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049889096 562691784 /nfs/dbraw/zinc/69/17/84/562691784.db2.gz XVLBKVNCYKEZCV-JOCHJYFZSA-N 0 0 551.434 4.611 1 0 KJAFRN Cc1ccc([C@H](CC(N)=O)NC(=O)CC(=O)Nc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049889097 562691757 /nfs/dbraw/zinc/69/17/57/562691757.db2.gz XVLBKVNCYKEZCV-QFIPXVFZSA-N 0 0 551.434 4.611 1 0 KJAFRN CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H](C)C(C)(C)C)C(C)(C)C)c1ccccc1 ZINC000049889198 562691878 /nfs/dbraw/zinc/69/18/78/562691878.db2.gz SJDPAECEIIGNII-NHXNAEJISA-N 0 0 752.035 4.740 1 0 KJAFRN CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H](C)C(C)(C)C)C(C)(C)C)c1ccccc1 ZINC000049889199 562691854 /nfs/dbraw/zinc/69/18/54/562691854.db2.gz SJDPAECEIIGNII-QWGZLESKSA-N 0 0 752.035 4.740 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000049889210 562691860 /nfs/dbraw/zinc/69/18/60/562691860.db2.gz SDLYQCVTBDJZHQ-NXPLBJHMSA-N 0 0 628.770 4.896 1 0 KJAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3cccc(N)c3)s1)n2CCC(N)=O ZINC000049889240 562691890 /nfs/dbraw/zinc/69/18/90/562691890.db2.gz XPIBLFKCFTWPNY-ZRDIBKRKSA-N 0 0 564.671 5.255 1 0 KJAFRN CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)NCc2ccccc2)CC1=O ZINC000049889250 562691938 /nfs/dbraw/zinc/69/19/38/562691938.db2.gz LFFPLJPHSLRYBN-GKRYNVPLSA-N 0 0 676.733 4.736 1 0 KJAFRN CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@H]1CN(C(=O)NCc2ccccc2)CC1=O ZINC000049889251 562691945 /nfs/dbraw/zinc/69/19/45/562691945.db2.gz LFFPLJPHSLRYBN-YCVJPRETSA-N 0 0 676.733 4.736 1 0 KJAFRN CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 ZINC000049889406 562692056 /nfs/dbraw/zinc/69/20/56/562692056.db2.gz UBMZFOKSEREKFV-MBSDFSHPSA-N 0 0 626.723 4.544 1 0 KJAFRN CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@@H]1CCN(c2ccccc2S(C)(=O)=O)CC1=O ZINC000049889417 562692065 /nfs/dbraw/zinc/69/20/65/562692065.db2.gz RDJFDFQLSZFWDD-YIIWZEITSA-N 0 0 711.800 4.825 1 0 KJAFRN CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@H]1CCN(c2ccccc2S(C)(=O)=O)CC1=O ZINC000049889418 562692059 /nfs/dbraw/zinc/69/20/59/562692059.db2.gz RDJFDFQLSZFWDD-JCGRVDTESA-N 0 0 711.800 4.825 1 0 KJAFRN CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(C[C@H](C)C(C)(C)O6)[C@]6(C)O[C@H]7O[C@@H](C[C@@]74[C@H]56)[C@@H]32)C[C@@H]1OC(C)=O ZINC000049889424 562692093 /nfs/dbraw/zinc/69/20/93/562692093.db2.gz SBALVZHPIZMVRG-HWHIOWPPSA-N 0 0 558.712 4.762 1 0 KJAFRN CSc1ccc(C(=O)N[C@@H]2C[C@H](NC(=O)OCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049898168 562692283 /nfs/dbraw/zinc/69/22/83/562692283.db2.gz LAPGFBUSBADRJT-FXVJXKIMSA-N 0 0 642.700 4.919 1 0 KJAFRN CSc1ccc(C(=O)N[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049898170 562692288 /nfs/dbraw/zinc/69/22/88/562692288.db2.gz LAPGFBUSBADRJT-DOEKTCAHSA-N 0 0 642.700 4.919 1 0 KJAFRN CC(=O)OC[C@H]1O[C@@H](n2c3ccccc3nc2SCc2cc3cc(Br)ccc3oc2=O)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000049898185 562692305 /nfs/dbraw/zinc/69/23/05/562692305.db2.gz WFMVHLJCOGBLHX-CWTOASCOSA-N 0 0 659.511 4.912 1 0 KJAFRN CSc1ccc(C(=O)N[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000049898195 562692313 /nfs/dbraw/zinc/69/23/13/562692313.db2.gz KWEFCRZZSRAHCF-FDJWOJMMSA-N 0 0 657.715 4.502 1 0 KJAFRN CSc1ccc(C(=O)N[C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000049898197 562692307 /nfs/dbraw/zinc/69/23/07/562692307.db2.gz KWEFCRZZSRAHCF-XCRWMPKNSA-N 0 0 657.715 4.502 1 0 KJAFRN CSc1ccc(C(=O)N[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049898302 562692399 /nfs/dbraw/zinc/69/23/99/562692399.db2.gz AHSMKZRUQWMISJ-OIKPOIBNSA-N 0 0 642.700 4.919 1 0 KJAFRN CSc1ccc(C(=O)N[C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)C[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049898304 562692411 /nfs/dbraw/zinc/69/24/11/562692411.db2.gz AHSMKZRUQWMISJ-IEUSDUHPSA-N 0 0 642.700 4.919 1 0 KJAFRN CC[C@@]1(OC(=O)[C@H](Cc2ccccc2)NC(=O)C2=CC(C)(C)N(O)C2(C)C)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccccc2cc1C3 ZINC000049898349 562692493 /nfs/dbraw/zinc/69/24/93/562692493.db2.gz AHCJWFOGVXAXFX-HTOJEEBVSA-N 0 0 662.743 4.546 1 0 KJAFRN CCOC(=O)/C=C/[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cccc(O)c1C ZINC000049898460 562692563 /nfs/dbraw/zinc/69/25/63/562692563.db2.gz NFRRFLJIWBDONR-LTRDVRTNSA-N 0 0 704.909 4.980 1 0 KJAFRN CC(=O)OC(C)(C)[C@H]1O[C@]23C[C@@]4(C)[C@@H]5CC[C@@H]6[C@]7(C[C@@]57CC[C@]4(C)[C@H]2[C@H](C)C[C@H]1O3)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C6(C)C ZINC000049898639 562692720 /nfs/dbraw/zinc/69/27/20/562692720.db2.gz BSKNHARRKCTTBW-LLTFDRQESA-N 0 0 646.862 4.721 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](C)[C@@H]2O[C@@]13C[C@H](C)[C@H](OC(=O)c1ccccc1)[C@@H]3/C=C(\C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C(C)(C)[C@@H]2OC(C)=O ZINC000049898684 562692746 /nfs/dbraw/zinc/69/27/46/562692746.db2.gz IUFJHIRZJMZTIU-UGNKFOPQSA-N 0 0 642.742 4.745 1 0 KJAFRN CCCCCn1cnc2cc(C(=O)NC[C@H]3O[C@@H](n4cnc5c4ncnc5NCc4ccc(Oc5ccccc5)cc4)[C@H](O)[C@@H]3O)ccc21 ZINC000049898706 562692782 /nfs/dbraw/zinc/69/27/82/562692782.db2.gz YBYWMMGZUOAFMM-BEGXHNNXSA-N 0 0 662.751 4.820 1 0 KJAFRN CCCCCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)c1 ZINC000049898777 562692850 /nfs/dbraw/zinc/69/28/50/562692850.db2.gz MLHPSGOBOHSFGF-IVJJLKHCSA-N 0 0 716.945 4.827 1 0 in-vivo KJAFRN COc1c(C)c(OC(C)=O)c(C(C)=O)c(OC(C)=O)c1Cc1c(OC(C)=O)c2c(c(C(=O)C(C)C)c1OC(C)=O)OC(C)(C)[C@H](OC(C)=O)C2 ZINC000049898816 562692862 /nfs/dbraw/zinc/69/28/62/562692862.db2.gz JJOFBLOWPRNSQU-AREMUKBSSA-N 0 0 698.718 4.982 1 0 KJAFRN COc1c(C)c(OC(C)=O)c(C(C)=O)c(OC(C)=O)c1Cc1c(OC(C)=O)c2c(c(C(=O)C(C)C)c1OC(C)=O)OC(C)(C)[C@@H](OC(C)=O)C2 ZINC000049898817 562692866 /nfs/dbraw/zinc/69/28/66/562692866.db2.gz JJOFBLOWPRNSQU-SANMLTNESA-N 0 0 698.718 4.982 1 0 KJAFRN COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3ccnc(C)c3OC)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1 ZINC000049898878 562692971 /nfs/dbraw/zinc/69/29/71/562692971.db2.gz VQYLCVNQBKRMMH-KAODMTDESA-N 0 0 654.808 4.930 1 0 KJAFRN O=C(NC[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccc(Oc3ccccc3)cc2)[C@H](O)[C@@H]1O)c1ccc2c(c1)[nH]c(=O)n2CCC1=CCCCC1 ZINC000049899379 562693033 /nfs/dbraw/zinc/69/30/33/562693033.db2.gz QKNRDVNJBWLGPY-CJEGOSRCSA-N 0 0 716.799 4.813 1 0 KJAFRN CC(C)c1cccc(C(C)C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000049899628 562693302 /nfs/dbraw/zinc/69/33/02/562693302.db2.gz QPUVMQNOWWLTBU-SQKWSBCUSA-N 0 0 687.903 4.855 1 0 in-vivo KJAFRN O=C(Cc1ccc(NC(=O)c2ccc(O)c(-c3ccc(Cl)c(Cl)c3)c2)cc1)NCCN1CCOCC1 ZINC000049917555 562693550 /nfs/dbraw/zinc/69/35/50/562693550.db2.gz KJKNGZXUBZELNZ-UHFFFAOYSA-N 0 0 528.436 4.609 1 0 KJAFRN COc1cc2nc(N3CCN(C(=O)c4ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc4)CC3)nc(N)c2cc1OC ZINC000049917616 562693692 /nfs/dbraw/zinc/69/36/92/562693692.db2.gz HRZAIILVXBYCLI-UHFFFAOYSA-N 0 0 608.696 4.868 1 0 KJAFRN Cc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n4C)n2)cc1S(N)(=O)=O ZINC000049917676 562693760 /nfs/dbraw/zinc/69/37/60/562693760.db2.gz FMALEEQZROQSGT-UHFFFAOYSA-N 0 0 625.542 5.319 1 0 KJAFRN O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CC1)[C@H]1Cc2ccccc2CN1 ZINC000049917711 562693790 /nfs/dbraw/zinc/69/37/90/562693790.db2.gz HTRFNZIKGSZNQY-FQLXRVMXSA-N 0 0 588.539 4.632 1 0 KJAFRN CCC[C@@H](C(=O)NCCc1cccc(OC)c1)N1C(=O)c2c(ccc(OC)c2OC)[C@H]1C(=O)Nc1c(C)cccc1C ZINC000049917831 562693976 /nfs/dbraw/zinc/69/39/76/562693976.db2.gz DCSBNWQRMVGRSA-SVEHJYQDSA-N 0 0 573.690 4.992 1 0 KJAFRN CCC[C@@H](C(=O)NCCc1cccc(OC)c1)N1C(=O)c2c(ccc(OC)c2OC)[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000049917832 562694014 /nfs/dbraw/zinc/69/40/14/562694014.db2.gz DCSBNWQRMVGRSA-ABYGYWHVSA-N 0 0 573.690 4.992 1 0 KJAFRN CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)Nc1nccs1)[C@@H](C)OCc1ccccc1)N(O)C=O ZINC000049917953 562694206 /nfs/dbraw/zinc/69/42/06/562694206.db2.gz AGXGKPUSPMCCBO-GATIMQMVSA-N 0 0 544.718 4.775 1 0 KJAFRN O=C(N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049917974 562694246 /nfs/dbraw/zinc/69/42/46/562694246.db2.gz AVVSYPWXQXQOMR-VWLOTQADSA-N 0 0 548.511 4.883 1 0 KJAFRN COc1ccccc1/C=C/CN(CCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)Cc1ccccc1 ZINC000049918044 562694368 /nfs/dbraw/zinc/69/43/68/562694368.db2.gz ZTACSIMTRYDGCX-XYOKQWHBSA-N 0 0 601.691 4.805 1 0 KJAFRN O=S(=O)(c1ccccc1OC(F)(F)F)C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000049918060 562694375 /nfs/dbraw/zinc/69/43/75/562694375.db2.gz MDKZEHVFFUIBNG-FKEKPDDDSA-N 0 0 543.507 4.762 1 0 KJAFRN C[C@@H]1C[C@@]2(N[C@@H](CC(=O)c3ccccc3)CS2)[C@@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 ZINC000049932890 562694821 /nfs/dbraw/zinc/69/48/21/562694821.db2.gz QLOXEHSFCJJZSE-PQWXAVACSA-N 0 0 721.913 4.562 1 0 KJAFRN C[C@@H]1C[C@@]2(N[C@@H](CC(=O)c3ccccc3)CS2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 ZINC000049932891 562694809 /nfs/dbraw/zinc/69/48/09/562694809.db2.gz QLOXEHSFCJJZSE-LWUQNJMISA-N 0 0 721.913 4.562 1 0 KJAFRN Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12 ZINC000049933051 562694828 /nfs/dbraw/zinc/69/48/28/562694828.db2.gz IPVXDHGZCVHCKL-MHZLTWQESA-N 0 0 555.631 4.864 1 0 KJAFRN C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C=C[C@H]1C ZINC000049933140 562694888 /nfs/dbraw/zinc/69/48/88/562694888.db2.gz IDFODVMSDUVHMJ-UZNMEARNSA-N 0 0 561.760 4.856 1 0 KJAFRN C[C@@H](N[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C=CBr)c(=O)[nH]c2=O)C[C@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000049937022 562694931 /nfs/dbraw/zinc/69/49/31/562694931.db2.gz SSZYXLJZIWJPOK-GZQXNGNRSA-N 0 0 700.479 4.629 1 0 KJAFRN CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000049937609 562694965 /nfs/dbraw/zinc/69/49/65/562694965.db2.gz DMAPNEOQGSJOIW-OBRABYBLSA-N 0 0 595.818 4.521 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049937627 562694986 /nfs/dbraw/zinc/69/49/86/562694986.db2.gz PLKVIGSGPBBXJR-ZJJOJAIXSA-N 0 0 671.864 4.589 1 0 KJAFRN COCCOCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)nc2N)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000049938034 562695055 /nfs/dbraw/zinc/69/50/55/562695055.db2.gz AOFJFROKSQUNCA-QHCPKHFHSA-N 0 0 655.320 4.969 1 0 KJAFRN Cc1ncccc1C(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000049938077 562695031 /nfs/dbraw/zinc/69/50/31/562695031.db2.gz SXDLZTIFOPNTPB-IKYOIFQTSA-N 0 0 685.891 4.897 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C/C=C/c1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C ZINC000049938094 562695046 /nfs/dbraw/zinc/69/50/46/562695046.db2.gz HUFHJRLLUIRYEB-UGQJJNRESA-N 0 0 682.884 4.510 1 0 KJAFRN CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)NC[C@H]1C ZINC000049938108 562695084 /nfs/dbraw/zinc/69/50/84/562695084.db2.gz UZSDQRVTTYFWNG-PBLIYICDSA-N 0 0 566.780 4.707 1 0 KJAFRN 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CCc1cc([C@H]2O[C@@H](n3cnc4c3nc(NCCNc3ccccn3)nc4NCC(c3ccccc3)c3ccccc3)[C@H](O)[C@@H]2O)on1 ZINC000058576555 562699725 /nfs/dbraw/zinc/69/97/25/562699725.db2.gz NUVIXGRCGGLAAS-IMNMKIORSA-N 0 0 647.740 4.532 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@@H]2c1ccc(Cl)cc1)C(=O)OC ZINC000058580869 562699719 /nfs/dbraw/zinc/69/97/19/562699719.db2.gz WJDZKBLBXMMBPG-PDIWNELESA-N 0 0 516.013 4.947 1 0 KJAFRN COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1C(=O)NC1CC1 ZINC000058581146 562699786 /nfs/dbraw/zinc/69/97/86/562699786.db2.gz GCBLXOYMYLHGMF-UHFFFAOYSA-N 0 0 573.690 4.571 1 0 KJAFRN CC[C@@H](C)C(=O)O[C@H]1C(C)(C)[C@H](CC(=O)OC)[C@]2(C)C(=O)[C@@]1(O)CC1=C3CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]12 ZINC000058581175 562699763 /nfs/dbraw/zinc/69/97/63/562699763.db2.gz WDFITJJRJNQVKR-PHCVNNNVSA-N 0 0 570.679 4.868 1 0 KJAFRN COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(Cc3ccccc3)CC(=O)N1[C@H]2COCc1ccccc1 ZINC000058582004 562699929 /nfs/dbraw/zinc/69/99/29/562699929.db2.gz FUBKSYBDDBGMCL-AHWVRZQESA-N 0 0 516.638 4.548 1 0 KJAFRN Cc1oc2c(ccc3c2[C@@H](OC(=O)[C@@]24CC[C@@](C)(C(=O)O2)C4(C)C)[C@@H](OC(=O)[C@@]24CC[C@@](C)(C(=O)O2)C4(C)C)C(C)(C)O3)c(=O)c1N ZINC000058582430 562699955 /nfs/dbraw/zinc/69/99/55/562699955.db2.gz QRJRAMOEWYIXAO-XWVOHUCTSA-N 0 0 651.709 4.595 1 0 KJAFRN CCc1oc2c(ccc3c2[C@@H](OC(=O)[C@@]24CC[C@@](C)(C(=O)O2)C4(C)C)[C@@H](OC(=O)[C@@]24CC[C@@](C)(C(=O)O2)C4(C)C)C(C)(C)O3)c(=O)c1N ZINC000058582431 562699942 /nfs/dbraw/zinc/69/99/42/562699942.db2.gz MYTHLDUDARVROV-CTAQNPQRSA-N 0 0 665.736 4.849 1 0 KJAFRN COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C)[C@@H](Cc3ccccc3)C(=O)N1[C@H]2COCc1ccccc1 ZINC000058583265 562700072 /nfs/dbraw/zinc/70/00/72/562700072.db2.gz HWRWBMQNSHXVML-URORMMCBSA-N 0 0 530.665 4.589 1 0 KJAFRN CC(C)C[C@H]1C(=O)N(COC(=O)[C@@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058583440 562700059 /nfs/dbraw/zinc/70/00/59/562700059.db2.gz IAXZWYPEHHZCGO-CUNXSJBXSA-N 0 0 548.661 4.526 1 0 KJAFRN CCOc1nc(N[C@@H](Cc2ccc3c(c2)COC(C)(C)O3)C(=O)NC)nc(-n2cnc3cc(C(=O)N4CCCc5ccccc54)ccc32)n1 ZINC000058583448 562700109 /nfs/dbraw/zinc/70/01/09/562700109.db2.gz QMKRYYUSASRMJH-MHZLTWQESA-N 0 0 662.751 4.617 1 0 KJAFRN O=C(C1CC[NH+](Cc2ccncc2)CC1)N1CCC(n2c3ccccc3n(Cc3cccc(Cl)c3)c2=O)CC1 ZINC000058590592 562700297 /nfs/dbraw/zinc/70/02/97/562700297.db2.gz YOMZERRKMCWALK-UHFFFAOYSA-N 0 0 544.099 4.975 1 0 KJAFRN C[C@H](c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12)[NH+]1CCCCC1 ZINC000058591163 562700405 /nfs/dbraw/zinc/70/04/05/562700405.db2.gz WDFMMTOESOEIEK-LJQANCHMSA-N 0 0 549.672 4.637 1 0 KJAFRN CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccc(C(F)(F)F)n3)c2)o1)C1CCCCC1 ZINC000058592195 562700562 /nfs/dbraw/zinc/70/05/62/562700562.db2.gz ZDZKYWBMWYAZMM-XMMPIXPASA-N 0 0 542.558 4.715 1 0 KJAFRN C[C@@H](O)[C@H](NCCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058592411 562700608 /nfs/dbraw/zinc/70/06/08/562700608.db2.gz ZJLKECDLPATANH-PBBNMVCDSA-N 0 0 537.616 4.698 1 0 KJAFRN O=C(CN1CCN(c2nnc(Cc3ccccc3)c3ccccc32)CC1)Nc1cccc(Br)c1 ZINC000058602787 562700903 /nfs/dbraw/zinc/70/09/03/562700903.db2.gz ZKUDFEBKMGBGGQ-UHFFFAOYSA-N 0 0 516.443 4.744 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@H]2c1ccc(Cl)cc1)C(=O)OC#N ZINC000058608381 562700941 /nfs/dbraw/zinc/70/09/41/562700941.db2.gz KGMXXXLUOOBEMV-RTFZILSDSA-N 0 0 526.996 4.798 1 0 KJAFRN COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCCN(Cc1c[nH]cn1)[C@H]2c1ccccc1 ZINC000058608964 562701015 /nfs/dbraw/zinc/70/10/15/562701015.db2.gz MPAHEXNEQNYRLC-YZXAJQSBSA-N 0 0 539.562 4.693 1 0 KJAFRN C[C@@]12CO[C@@H](c3ccccc3)O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](O)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]12 ZINC000058608992 562700986 /nfs/dbraw/zinc/70/09/86/562700986.db2.gz WPKHNTUUGUNOHR-HNFQKFOASA-N 0 0 545.632 4.804 1 0 KJAFRN Cn1cnc(CCNC(=O)[C@@H]2CN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CCCCC2)c1 ZINC000058609429 562701004 /nfs/dbraw/zinc/70/10/04/562701004.db2.gz CSHPNTOXXBGLLQ-JDXGNMNLSA-N 0 0 669.068 4.806 1 0 KJAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OC(C)(C)C ZINC000058614276 562701038 /nfs/dbraw/zinc/70/10/38/562701038.db2.gz BIPMVYGWVVVNDJ-PJRHAEEISA-N 0 0 677.887 4.949 1 0 KJAFRN O=C(NCc1ccc(Cn2c3ccccc3nc2C(F)(F)F)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000058639042 562701198 /nfs/dbraw/zinc/70/11/98/562701198.db2.gz JSNHRUZOJTYCCL-GMKZXUHWSA-N 0 0 607.054 4.520 1 0 in-vitro KJAFRN CC(C)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000058643931 562701254 /nfs/dbraw/zinc/70/12/54/562701254.db2.gz XCDONWZWXBVHNA-OXCFDMGDSA-N 0 0 545.765 4.879 1 0 KJAFRN COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(N4CCOCC4)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000058649937 562701277 /nfs/dbraw/zinc/70/12/77/562701277.db2.gz FQTSKVOXXUUFEJ-UHFFFAOYSA-N 0 0 633.727 4.758 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H]2CCCCCCCCCOc3c(O)cccc3C(=O)N2)cc1 ZINC000058655307 562701314 /nfs/dbraw/zinc/70/13/14/562701314.db2.gz XAJNFGMYCCUBDT-IXCJQBJRSA-N 0 0 576.756 4.720 1 0 KJAFRN Nc1ccn([C@@H]2S[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(=O)n1 ZINC000058655460 562701367 /nfs/dbraw/zinc/70/13/67/562701367.db2.gz DEZPSBMONSHGFT-ANHREMPLSA-N 0 0 529.662 4.827 1 0 KJAFRN COc1cccc(-c2cc(C(=O)N3CCN(C4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)CC3)cc(-c3ccc4[nH]ccc4c3)n2)c1 ZINC000058660977 562701424 /nfs/dbraw/zinc/70/14/24/562701424.db2.gz PMIFWRPQQYUEJQ-UHFFFAOYSA-N 0 0 648.808 4.913 1 0 KJAFRN CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3C(F)(F)F)CO2)[C@H]1c1ccc(F)cc1 ZINC000058668942 562701514 /nfs/dbraw/zinc/70/15/14/562701514.db2.gz RHLFRQYCXXEYMH-YZYNAAERSA-N 0 0 533.570 4.888 1 0 KJAFRN Cn1cncc1CCNC(=O)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000058669642 562701497 /nfs/dbraw/zinc/70/14/97/562701497.db2.gz JOVWTITYEDGJSM-JDXGNMNLSA-N 0 0 669.068 4.806 1 0 KJAFRN CN(C)Cc1n[nH]nc1CN1CCO[C@]2(CC[C@H](c3ccccc3OC(F)(F)F)CO2)[C@H]1c1ccc(F)cc1 ZINC000058672556 562701481 /nfs/dbraw/zinc/70/14/81/562701481.db2.gz GXDHHASFXFRRTG-YZYNAAERSA-N 0 0 549.569 4.768 1 0 KJAFRN COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000058678506 562701542 /nfs/dbraw/zinc/70/15/42/562701542.db2.gz DMNWZDIEDDQCFD-GVQINVNESA-N 0 0 623.728 4.525 1 0 KJAFRN C[NH2+][C@@H](C)C(=O)N[C@@H](C(=O)[C@@H]1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000059064118 562701688 /nfs/dbraw/zinc/70/16/88/562701688.db2.gz OOKNMLMKKCDZNI-XBYXKOEXSA-N 0 0 503.687 4.551 1 0 KJAFRN C[NH2+][C@@H](C)C(=O)N[C@@H](C(=O)[C@H]1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000059064122 562701677 /nfs/dbraw/zinc/70/16/77/562701677.db2.gz OOKNMLMKKCDZNI-RSPDEVONSA-N 0 0 503.687 4.551 1 0 KJAFRN COC(=O)C1=NC2=C(OCc3ccccc3)C=C3N(C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4)C[C@H]4C[C@@]34C2=C1 ZINC000059154284 562701825 /nfs/dbraw/zinc/70/18/25/562701825.db2.gz DYOKLTLYWHGXMQ-AYLZSAKASA-N 0 0 567.598 4.536 1 0 KJAFRN Cn1cc(-c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2)nc(Nc2ccc([C@@H]3C(=O)N(C)CCN3C)cc2)c1=O ZINC000059185926 562701863 /nfs/dbraw/zinc/70/18/63/562701863.db2.gz RAYABIUAYLVIIX-MUUNZHRXSA-N 0 0 582.730 4.828 1 0 KJAFRN Cn1cc(-c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2)nc(Nc2ccc([C@H]3C(=O)N(C)CCN3C)cc2)c1=O ZINC000059185927 562701867 /nfs/dbraw/zinc/70/18/67/562701867.db2.gz RAYABIUAYLVIIX-NDEPHWFRSA-N 0 0 582.730 4.828 1 0 KJAFRN Cn1cc(-c2ccc(F)c(NC(=O)c3cc4c(s3)CCCC4)c2)nc(Nc2ccc([C@@H]3C(=O)N(C)CCN3C)cc2)c1=O ZINC000059191152 562701834 /nfs/dbraw/zinc/70/18/34/562701834.db2.gz ZGWZMIIQVITDKD-MUUNZHRXSA-N 0 0 600.720 4.968 1 0 KJAFRN Cn1cc(-c2ccc(F)c(NC(=O)c3cc4c(s3)CCCC4)c2)nc(Nc2ccc([C@H]3C(=O)N(C)CCN3C)cc2)c1=O ZINC000059191155 562701883 /nfs/dbraw/zinc/70/18/83/562701883.db2.gz ZGWZMIIQVITDKD-NDEPHWFRSA-N 0 0 600.720 4.968 1 0 KJAFRN COCC(=O)N=[S@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059280747 562701993 /nfs/dbraw/zinc/70/19/93/562701993.db2.gz NAJWWRRPIDXVKB-PGUFJCEWSA-N 0 0 535.409 4.523 1 0 KJAFRN CCN(CC)CC(=O)N=[S@](C)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059283323 562702000 /nfs/dbraw/zinc/70/20/00/562702000.db2.gz MHODCPVOCIHUEU-LDLOPFEMSA-N 0 0 572.087 4.573 1 0 KJAFRN C[S@@](=O)(=NC(=O)CN1CCCC1)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059284607 562701972 /nfs/dbraw/zinc/70/19/72/562701972.db2.gz LUNONISXCVTTAB-LHEWISCISA-N 0 0 574.490 4.972 1 0 KJAFRN CN1CCCN(CC(=O)N=[S@](C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000059285772 562701960 /nfs/dbraw/zinc/70/19/60/562701960.db2.gz PQVNCEXMHISSOS-VQJSHJPSSA-N 0 0 617.559 4.514 1 0 KJAFRN CN(C)CCN=[S@@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059297371 562701996 /nfs/dbraw/zinc/70/19/96/562701996.db2.gz DTCGZUWLPYRQCM-DHUJRADRSA-N 0 0 534.469 4.911 1 0 KJAFRN O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCN(c2cc(N3CCOCC3)ccc2Cl)C(=O)C1 ZINC000059298065 562701976 /nfs/dbraw/zinc/70/19/76/562701976.db2.gz MBUFYWMGMJRSOC-UHFFFAOYSA-N 0 0 503.213 4.626 1 0 KJAFRN COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1 ZINC000059872609 562702433 /nfs/dbraw/zinc/70/24/33/562702433.db2.gz QOPUSVUZHPIYER-TUXGATLDSA-N 0 0 556.523 4.789 1 0 biogenic,in-vitro KJAFRN COc1cc2cc3c(c(O)c2c(O)c1-c1c(OC)cc2cc4c(c(O)c2c1O)C(=O)O[C@H](C)C4)C(=O)O[C@H](C)C3 ZINC000060184386 562702610 /nfs/dbraw/zinc/70/26/10/562702610.db2.gz CJKYODJTBJDEJI-VXGBXAGGSA-N 0 0 546.528 4.702 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326412 562702642 /nfs/dbraw/zinc/70/26/42/562702642.db2.gz KVMHXXVFVMJANC-INIZCTEOSA-N 0 0 515.573 4.872 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326413 562702686 /nfs/dbraw/zinc/70/26/86/562702686.db2.gz KVMHXXVFVMJANC-MRXNPFEDSA-N 0 0 515.573 4.872 1 0 KJAFRN CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326580 562702673 /nfs/dbraw/zinc/70/26/73/562702673.db2.gz TTZNKOBNEQGAFA-HNNXBMFYSA-N 0 0 518.577 4.657 1 0 KJAFRN CCCN(CCC)c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326581 562702675 /nfs/dbraw/zinc/70/26/75/562702675.db2.gz TTZNKOBNEQGAFA-OAHLLOKOSA-N 0 0 518.577 4.657 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccs1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326635 562702644 /nfs/dbraw/zinc/70/26/44/562702644.db2.gz WBZIIAKBHYXQRL-LBPRGKRZSA-N 0 0 501.527 4.759 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccs1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326636 562702688 /nfs/dbraw/zinc/70/26/88/562702688.db2.gz WBZIIAKBHYXQRL-GFCCVEGCSA-N 0 0 501.527 4.759 1 0 KJAFRN CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326637 562702679 /nfs/dbraw/zinc/70/26/79/562702679.db2.gz AWDQHTZYTOLTKR-HNNXBMFYSA-N 0 0 519.561 4.990 1 0 KJAFRN CCCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326638 562702647 /nfs/dbraw/zinc/70/26/47/562702647.db2.gz AWDQHTZYTOLTKR-OAHLLOKOSA-N 0 0 519.561 4.990 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326829 562702720 /nfs/dbraw/zinc/70/27/20/562702720.db2.gz DBVDMBHCMBBPSR-ZDUSSCGKSA-N 0 0 513.488 4.837 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326830 562702734 /nfs/dbraw/zinc/70/27/34/562702734.db2.gz DBVDMBHCMBBPSR-CYBMUJFWSA-N 0 0 513.488 4.837 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1Nc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326896 562702697 /nfs/dbraw/zinc/70/26/97/562702697.db2.gz XGFDOCFYICOACA-ZDUSSCGKSA-N 0 0 528.503 4.914 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1Nc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326897 562702710 /nfs/dbraw/zinc/70/27/10/562702710.db2.gz XGFDOCFYICOACA-CYBMUJFWSA-N 0 0 528.503 4.914 1 0 KJAFRN CCCCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326902 562702700 /nfs/dbraw/zinc/70/27/00/562702700.db2.gz PCKUXFIDOVMBJW-ZDUSSCGKSA-N 0 0 507.575 4.923 1 0 KJAFRN CCCCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326903 562702726 /nfs/dbraw/zinc/70/27/26/562702726.db2.gz PCKUXFIDOVMBJW-CYBMUJFWSA-N 0 0 507.575 4.923 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327135 562702737 /nfs/dbraw/zinc/70/27/37/562702737.db2.gz ULLXAOWCKYRTPG-ZDUSSCGKSA-N 0 0 513.488 4.837 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327136 562702714 /nfs/dbraw/zinc/70/27/14/562702714.db2.gz ULLXAOWCKYRTPG-CYBMUJFWSA-N 0 0 513.488 4.837 1 0 KJAFRN CCCCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000060327141 562702712 /nfs/dbraw/zinc/70/27/12/562702712.db2.gz ZYYDQFHTSSUHSN-KRWDZBQOSA-N 0 0 574.641 4.816 1 0 KJAFRN CCCCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000060327142 562702732 /nfs/dbraw/zinc/70/27/32/562702732.db2.gz ZYYDQFHTSSUHSN-QGZVFWFLSA-N 0 0 574.641 4.816 1 0 KJAFRN Cc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000060327391 562702760 /nfs/dbraw/zinc/70/27/60/562702760.db2.gz RWAXMXQEVDKGGY-INIZCTEOSA-N 0 0 539.551 4.918 1 0 KJAFRN Cc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000060327392 562702743 /nfs/dbraw/zinc/70/27/43/562702743.db2.gz RWAXMXQEVDKGGY-MRXNPFEDSA-N 0 0 539.551 4.918 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1Cc2ccccc2C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327652 562702767 /nfs/dbraw/zinc/70/27/67/562702767.db2.gz NUNNGWMPVHUYSF-HNNXBMFYSA-N 0 0 536.551 4.551 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1Cc2ccccc2C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327653 562702786 /nfs/dbraw/zinc/70/27/86/562702786.db2.gz NUNNGWMPVHUYSF-OAHLLOKOSA-N 0 0 536.551 4.551 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327654 562702778 /nfs/dbraw/zinc/70/27/78/562702778.db2.gz RIAOSFQDWAYFMG-INIZCTEOSA-N 0 0 523.552 4.816 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327655 562702750 /nfs/dbraw/zinc/70/27/50/562702750.db2.gz RIAOSFQDWAYFMG-MRXNPFEDSA-N 0 0 523.552 4.816 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCN(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327903 562702790 /nfs/dbraw/zinc/70/27/90/562702790.db2.gz SJWBUOFVKKLWHP-IBGZPJMESA-N 0 0 578.632 4.963 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCN(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327904 562702752 /nfs/dbraw/zinc/70/27/52/562702752.db2.gz SJWBUOFVKKLWHP-LJQANCHMSA-N 0 0 578.632 4.963 1 0 KJAFRN Cc1cccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@@H](C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)c1 ZINC000060327905 562702780 /nfs/dbraw/zinc/70/27/80/562702780.db2.gz GGWPUOWLBCAARF-IBGZPJMESA-N 0 0 593.647 4.666 1 0 KJAFRN Cc1cccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@H](C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)c1 ZINC000060327906 562702784 /nfs/dbraw/zinc/70/27/84/562702784.db2.gz GGWPUOWLBCAARF-LJQANCHMSA-N 0 0 593.647 4.666 1 0 KJAFRN COc1cc(OC)cc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)c1 ZINC000060329342 562702858 /nfs/dbraw/zinc/70/28/58/562702858.db2.gz FXQXTJOLQTVXEB-AWEZNQCLSA-N 0 0 555.550 4.715 1 0 KJAFRN COc1cc(OC)cc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)c1 ZINC000060329343 562702883 /nfs/dbraw/zinc/70/28/83/562702883.db2.gz FXQXTJOLQTVXEB-CQSZACIVSA-N 0 0 555.550 4.715 1 0 KJAFRN CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nn2)c1 ZINC000061705179 562702887 /nfs/dbraw/zinc/70/28/87/562702887.db2.gz NRRQBNPKMOFBDN-UHFFFAOYSA-N 0 0 512.595 4.937 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@H]2c1ccc(Cl)cc1)C(=O)OC ZINC000062213032 562704412 /nfs/dbraw/zinc/70/44/12/562704412.db2.gz WJDZKBLBXMMBPG-RTFZILSDSA-N 0 0 516.013 4.947 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@@H]2c1ccc(Cl)cc1)C(=O)NC ZINC000062213063 562704416 /nfs/dbraw/zinc/70/44/16/562704416.db2.gz UCAQTAASKBTORS-PDIWNELESA-N 0 0 515.029 4.520 1 0 KJAFRN CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCCC4)cc3OC)nc2N1C1CCCC1 ZINC000063298346 562704443 /nfs/dbraw/zinc/70/44/43/562704443.db2.gz QPTZMGCTRHKKJD-JOCHJYFZSA-N 0 0 506.651 4.795 1 0 KJAFRN Cn1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O ZINC000063539617 562704490 /nfs/dbraw/zinc/70/44/90/562704490.db2.gz DGVVZCKWBRQGCX-UHFFFAOYSA-N 0 0 595.700 4.705 1 0 KJAFRN CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc32)n(-c2cccc(C(=O)NCCOCCO)c2)n1 ZINC000063540256 562704499 /nfs/dbraw/zinc/70/44/99/562704499.db2.gz KUVNSIJSYBSMJX-UHFFFAOYSA-N 0 0 515.614 4.706 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@@H]2c1ccc(Cl)cc1)C(=O)OC#N ZINC000064232008 562704588 /nfs/dbraw/zinc/70/45/88/562704588.db2.gz KGMXXXLUOOBEMV-PDIWNELESA-N 0 0 526.996 4.798 1 0 KJAFRN COC(=O)[C@H](COC(C)(C)C)NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@H]2c1ccc(Cl)cc1 ZINC000064251744 562704654 /nfs/dbraw/zinc/70/46/54/562704654.db2.gz SJSJRZPIYCNNKM-GOTSBHOMSA-N 0 0 546.039 4.716 1 0 KJAFRN CCCS(=O)(=O)c1ccc([C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)N2CCCCCC2)cc1 ZINC000064251878 562704641 /nfs/dbraw/zinc/70/46/41/562704641.db2.gz SLLKAKKSWVMFOC-HSZRJFAPSA-N 0 0 532.650 4.785 1 0 KJAFRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C[C@H](OC(C)=O)[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3CO[C@H](O)C3)[C@]12C ZINC000064321303 562704746 /nfs/dbraw/zinc/70/47/46/562704746.db2.gz DENYEIJQEJNMOG-VSXOGFHMSA-N 0 0 516.675 4.599 1 0 KJAFRN CC[C@H](C)C(=O)O[C@H]1C(C)(C)[C@H](CC(=O)OC)[C@]2(C)C(=O)[C@@]1(O)CC1=C3CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]12 ZINC000064361640 562704795 /nfs/dbraw/zinc/70/47/95/562704795.db2.gz WDFITJJRJNQVKR-GCKJMTBBSA-N 0 0 570.679 4.868 1 0 KJAFRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(C[C@H](C)C(C)(C)O6)[C@](C)(O)[C@@H]5[C@@]4(C)C[C@H](O)[C@@H]32)C1 ZINC000064373105 562704854 /nfs/dbraw/zinc/70/48/54/562704854.db2.gz NMENKWADYNCEKW-CAYRAOEMSA-N 0 0 504.708 4.839 1 0 KJAFRN C[C@@H](c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12)[NH+]1CCCCC1 ZINC000064373401 562704863 /nfs/dbraw/zinc/70/48/63/562704863.db2.gz WDFMMTOESOEIEK-IBGZPJMESA-N 0 0 549.672 4.637 1 0 KJAFRN CC(C)C[C@H]1C(=O)N(COC(=O)[C@H](C)c2ccc(C(=O)c3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000064373488 562704842 /nfs/dbraw/zinc/70/48/42/562704842.db2.gz IAXZWYPEHHZCGO-AMGIVPHBSA-N 0 0 548.661 4.526 1 0 KJAFRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6(C[C@H](C)C(C)(C)O6)[C@](C)(O)[C@@H]5[C@@]4(C)C[C@H](O)[C@@H]32)C1 ZINC000064379476 562704895 /nfs/dbraw/zinc/70/48/95/562704895.db2.gz NMENKWADYNCEKW-ZJJHCSDUSA-N 0 0 504.708 4.839 1 0 KJAFRN COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1O ZINC000064448293 562705488 /nfs/dbraw/zinc/70/54/88/562705488.db2.gz LXLICRUJQIYFAQ-FQEVSTJZSA-N 0 0 567.464 4.729 1 0 KJAFRN COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1O ZINC000064448295 562705500 /nfs/dbraw/zinc/70/55/00/562705500.db2.gz LXLICRUJQIYFAQ-HXUWFJFHSA-N 0 0 567.464 4.729 1 0 KJAFRN COc1cccc(OCCCc2cccnc2)c1C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000064448450 562705580 /nfs/dbraw/zinc/70/55/80/562705580.db2.gz PJZBKGNAKHKHSH-IALVYGIMSA-N 0 0 512.691 4.939 1 0 in-vivo KJAFRN Fc1cc(CN2C3COCC2COC3)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064448611 562705532 /nfs/dbraw/zinc/70/55/32/562705532.db2.gz GXFJFRRQODZUEM-UHFFFAOYSA-N 0 0 547.594 4.740 1 0 KJAFRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1C(=O)NCCc1ccccn1)CCCC2 ZINC000064453497 562705597 /nfs/dbraw/zinc/70/55/97/562705597.db2.gz CGPJYOGXZXFFNV-UHFFFAOYSA-N 0 0 531.604 4.727 1 0 KJAFRN Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(Cc3nnc(Nc4ccccc4)s3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000064453779 562705649 /nfs/dbraw/zinc/70/56/49/562705649.db2.gz WIEHBOXCKXEGCH-UHFFFAOYSA-N 0 0 585.093 4.719 1 0 KJAFRN CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4cc(OC)ccc4[nH]3)cc2[C@@H]1c1ccc2c(c1)OCO2 ZINC000064453838 562705689 /nfs/dbraw/zinc/70/56/89/562705689.db2.gz YEMPMZKOIMNTGA-QHCPKHFHSA-N 0 0 517.563 4.709 1 0 KJAFRN CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4cc(OC)ccc4[nH]3)cc2[C@H]1c1ccc2c(c1)OCO2 ZINC000064453841 562705682 /nfs/dbraw/zinc/70/56/82/562705682.db2.gz YEMPMZKOIMNTGA-HSZRJFAPSA-N 0 0 517.563 4.709 1 0 KJAFRN Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(Cc3nnc(NCc4ccccc4)s3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000064453997 562705685 /nfs/dbraw/zinc/70/56/85/562705685.db2.gz BJPVCBYDXFTSGN-UHFFFAOYSA-N 0 0 599.120 4.588 1 0 KJAFRN Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(Cc3nnc(Nc4ccc(F)cc4)s3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000064454236 562705713 /nfs/dbraw/zinc/70/57/13/562705713.db2.gz UEXHAIIRDHGMAK-UHFFFAOYSA-N 0 0 603.083 4.859 1 0 KJAFRN COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Br)c1O ZINC000064454422 562705733 /nfs/dbraw/zinc/70/57/33/562705733.db2.gz VCOUAMQURFFPAZ-FQEVSTJZSA-N 0 0 520.464 4.887 1 0 KJAFRN COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Br)c1O ZINC000064454424 562705782 /nfs/dbraw/zinc/70/57/82/562705782.db2.gz VCOUAMQURFFPAZ-HXUWFJFHSA-N 0 0 520.464 4.887 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064479701 562705883 /nfs/dbraw/zinc/70/58/83/562705883.db2.gz VPTIJSFMWFCPFI-NNRCMAHHSA-N 0 0 561.682 4.805 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064479703 562705874 /nfs/dbraw/zinc/70/58/74/562705874.db2.gz WNJMDHMMLDFHKS-IQGXZWDMSA-N 0 0 607.707 4.519 1 0 KJAFRN COc1cc(/C=C/C(=O)N2CCOCC2)ccc1OCCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000064485873 562705902 /nfs/dbraw/zinc/70/59/02/562705902.db2.gz CHAKVTJLSBQJOE-DWOOMVRVSA-N 0 0 591.705 4.915 1 0 KJAFRN COc1cc(/C=C/C(=O)N2CCOCC2)ccc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000064490484 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CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1-c1cccc(OC)c1 ZINC000064548829 562707910 /nfs/dbraw/zinc/70/79/10/562707910.db2.gz GPFYFPWQXPSYNG-UHFFFAOYSA-N 0 0 529.593 4.867 1 0 KJAFRN Cc1cc(/C=C2\C(=O)Nc3ncc(Br)cc32)c2ccccc(OCCCN3CCOCC3)c1-2 ZINC000064548831 562707925 /nfs/dbraw/zinc/70/79/25/562707925.db2.gz GNSUZAVPGULMPX-HMAPJEAMSA-N 0 0 508.416 4.851 1 0 KJAFRN CS(=O)(=O)Nc1cccc(-c2c[nH]c(C(=O)[C@@H]3CCCN3C(=O)CCc3ccc(-c4ccccc4)cc3)n2)c1 ZINC000064549191 562708004 /nfs/dbraw/zinc/70/80/04/562708004.db2.gz OUYJOKHMFPZSHG-MHZLTWQESA-N 0 0 542.661 4.922 1 0 KJAFRN Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(-c3ccccc3)cc2)Cc2ccccc2)c1 ZINC000064549391 562708056 /nfs/dbraw/zinc/70/80/56/562708056.db2.gz QDCOBOSWJOHAMN-UHFFFAOYSA-N 0 0 540.693 4.718 1 0 KJAFRN CC(C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1S(C)(=O)=O)CC2 ZINC000064549801 562708143 /nfs/dbraw/zinc/70/81/43/562708143.db2.gz FHYNPUQVXIYKSU-UHFFFAOYSA-N 0 0 505.566 4.766 1 0 KJAFRN CC(C)(CNC(=O)C1(C(F)(F)F)CCC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064549868 562708175 /nfs/dbraw/zinc/70/81/75/562708175.db2.gz QYICUUHLNRBIMS-UHFFFAOYSA-N 0 0 511.541 4.656 1 0 KJAFRN Cc1c(O)cccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/C(=O)n1cccc1)CC(C)C ZINC000064553218 562708255 /nfs/dbraw/zinc/70/82/55/562708255.db2.gz HUWYDAZASMZFSQ-LTSUMISSSA-N 0 0 566.743 4.605 1 0 KJAFRN CC(C)C[C@@H]1NC(=O)[C@@H](C2CCCCC2)NC(=O)CC/C=C/Cc2[nH]c3ccc(Cl)cc3c2CNC1=O ZINC000064559080 562708332 /nfs/dbraw/zinc/70/83/32/562708332.db2.gz UBCLEOUJFIKCHZ-VTWFPFQGSA-N 0 0 527.109 4.926 1 0 KJAFRN COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064559547 562708423 /nfs/dbraw/zinc/70/84/23/562708423.db2.gz WGXWWYALJTUFQJ-NRAUDTLTSA-N 0 0 549.023 4.676 1 0 KJAFRN COCCCNC(=O)COc1ccc2c(c1)c(CCc1ccccc1)c(-c1ccc(F)cc1F)c(=O)n2C ZINC000064559704 562708419 /nfs/dbraw/zinc/70/84/19/562708419.db2.gz KMDIEDRJRBECGD-UHFFFAOYSA-N 0 0 520.576 4.800 1 0 KJAFRN COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064560003 562708495 /nfs/dbraw/zinc/70/84/95/562708495.db2.gz DPBIWBJSIRMTTR-MHWRTBLVSA-N 0 0 506.961 4.798 1 0 KJAFRN COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064560005 562708488 /nfs/dbraw/zinc/70/84/88/562708488.db2.gz DPBIWBJSIRMTTR-NUKCWJJBSA-N 0 0 506.961 4.798 1 0 KJAFRN COCCCNC(=O)COc1ccc2[nH]c(=O)c(-c3ccc(F)cc3F)c(CCc3ccccc3)c2c1 ZINC000064560279 562708511 /nfs/dbraw/zinc/70/85/11/562708511.db2.gz KYJQFDVGXFGBEN-UHFFFAOYSA-N 0 0 506.549 4.790 1 0 KJAFRN Cn1c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2c(CCc2ccccc2)c(S(C)(=O)=O)c1=O ZINC000064560281 562708508 /nfs/dbraw/zinc/70/85/08/562708508.db2.gz ITSVEPYKZBRQEK-UHFFFAOYSA-N 0 0 573.498 4.729 1 0 KJAFRN O=C(NCCCN(C1=NS(=O)(=O)c2ccccc21)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000064560362 562708527 /nfs/dbraw/zinc/70/85/27/562708527.db2.gz GUTOHOIAERGRIR-UHFFFAOYSA-N 0 0 505.493 4.620 1 0 KJAFRN O=C(NCCCN(C1=NS(=O)(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000064560490 562708548 /nfs/dbraw/zinc/70/85/48/562708548.db2.gz RQYDCKPMFHDKKO-UHFFFAOYSA-N 0 0 505.493 4.620 1 0 KJAFRN COC(=O)c1cnc(N2CCc3nc(N4CCOCC4)nc(Nc4ccc(C(F)(F)F)cc4)c3CC2)c(Cl)c1 ZINC000064560514 562708541 /nfs/dbraw/zinc/70/85/41/562708541.db2.gz CRDVIZFTBBTUAW-UHFFFAOYSA-N 0 0 562.980 4.516 1 0 KJAFRN CC(C)(CNC(=O)c1cc2ccccc2o1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 ZINC000064560532 562708536 /nfs/dbraw/zinc/70/85/36/562708536.db2.gz PDKNEQOYWGQIFI-UHFFFAOYSA-N 0 0 505.571 4.984 1 0 KJAFRN CS(=O)(=O)c1c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc2c1CCc1ccccc1 ZINC000064560548 562708523 /nfs/dbraw/zinc/70/85/23/562708523.db2.gz YLOXHWSGECHWMF-UHFFFAOYSA-N 0 0 559.471 4.719 1 0 KJAFRN O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1 ZINC000064573266 562708672 /nfs/dbraw/zinc/70/86/72/562708672.db2.gz HMTLPOCMTKGSHR-SANMLTNESA-N 0 0 525.630 4.665 1 0 KJAFRN CC(C)c1nc2c(c(Nc3ccc(S(=O)(=O)N(C)C)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000064573414 562708682 /nfs/dbraw/zinc/70/86/82/562708682.db2.gz FJJUUDSNFIKAPH-UHFFFAOYSA-N 0 0 534.608 4.613 1 0 KJAFRN CCCC[C@H](NC(=O)c1ccc(OCc2ccccn2)c(C(F)(F)F)c1Cl)C(=O)C(=O)Nc1ccn(C)n1 ZINC000064573472 562708688 /nfs/dbraw/zinc/70/86/88/562708688.db2.gz BLXZSNSXPVRKAJ-KRWDZBQOSA-N 0 0 551.953 4.563 1 0 KJAFRN CCCC[C@@H](NC(=O)c1ccc(OCc2ccccn2)c(C(F)(F)F)c1Cl)C(=O)C(=O)Nc1ccn(C)n1 ZINC000064573473 562708660 /nfs/dbraw/zinc/70/86/60/562708660.db2.gz BLXZSNSXPVRKAJ-QGZVFWFLSA-N 0 0 551.953 4.563 1 0 KJAFRN CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC000064574075 562708750 /nfs/dbraw/zinc/70/87/50/562708750.db2.gz MMVQBNBCAHSEKQ-ZEQRLZLVSA-N 0 0 621.772 4.925 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064581840 562708768 /nfs/dbraw/zinc/70/87/68/562708768.db2.gz ZVRIKQGMBDIQQJ-UXCOJYHUSA-N 0 0 631.733 4.690 1 0 KJAFRN Cc1cc(=O)oc2c1ccc1c2[C@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](C)O1 ZINC000064585841 562708808 /nfs/dbraw/zinc/70/88/08/562708808.db2.gz WDFFXIMAZBEPSX-USPRZXHJSA-N 0 0 622.667 4.622 1 0 KJAFRN Cc1cc(=O)oc2c1ccc1c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](C)O1 ZINC000064599933 562708821 /nfs/dbraw/zinc/70/88/21/562708821.db2.gz WDFFXIMAZBEPSX-GIGUCIRZSA-N 0 0 622.667 4.622 1 0 KJAFRN Cc1cc(=O)oc2c1ccc1c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H](C)O1 ZINC000064608297 562708833 /nfs/dbraw/zinc/70/88/33/562708833.db2.gz WDFFXIMAZBEPSX-BINMMOPWSA-N 0 0 622.667 4.622 1 0 KJAFRN O=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000064617862 562708824 /nfs/dbraw/zinc/70/88/24/562708824.db2.gz XMJBIBDPDNTZHS-UHFFFAOYSA-N 0 0 505.848 4.549 1 0 KJAFRN S=C(NCCCc1c[nH]cn1)NCCCN(CCc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000064617890 562708846 /nfs/dbraw/zinc/70/88/46/562708846.db2.gz RHSJBWSJASZFGF-UHFFFAOYSA-N 0 0 535.943 4.757 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064622688 562708872 /nfs/dbraw/zinc/70/88/72/562708872.db2.gz CZNPHHJXTMHBIH-TZHCILSOSA-N 0 0 632.761 4.937 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064649465 562708963 /nfs/dbraw/zinc/70/89/63/562708963.db2.gz MMSLQNVVEJZUGI-RZLLJLAESA-N 0 0 591.708 4.813 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064664359 562708978 /nfs/dbraw/zinc/70/89/78/562708978.db2.gz DOJUWAWLBGUOGH-IQGXZWDMSA-N 0 0 606.698 4.873 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064664543 562708986 /nfs/dbraw/zinc/70/89/86/562708986.db2.gz WCPKDMOGNMLUCE-UADVTRIOSA-N 0 0 601.707 4.681 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064696454 562709033 /nfs/dbraw/zinc/70/90/33/562709033.db2.gz NYLVPTDMNUJYBK-ARROIKNCSA-N 0 0 595.696 4.715 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064715206 562709067 /nfs/dbraw/zinc/70/90/67/562709067.db2.gz YQWQYRPVWGABLX-BZZCMJIQSA-N 0 0 621.734 4.822 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064732243 562709052 /nfs/dbraw/zinc/70/90/52/562709052.db2.gz VFUMIYRESDHHFS-UADVTRIOSA-N 0 0 625.697 4.658 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064734956 562709083 /nfs/dbraw/zinc/70/90/83/562709083.db2.gz QVGAGMJUDHOGFI-RZLLJLAESA-N 0 0 588.708 4.734 1 0 KJAFRN CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc(CC(=O)N3CCS(=O)(=O)CC3)cc2)n1 ZINC000064746539 562709108 /nfs/dbraw/zinc/70/91/08/562709108.db2.gz TTXGXKCRIYRWKQ-UHFFFAOYSA-N 0 0 578.522 4.920 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CC4CC4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064754961 562709169 /nfs/dbraw/zinc/70/91/69/562709169.db2.gz RUCBVOWLOISQFJ-XYJTYJFBSA-N 0 0 551.687 4.701 1 0 KJAFRN COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1OC(C)=O ZINC000064755246 562709172 /nfs/dbraw/zinc/70/91/72/562709172.db2.gz QNUNTTUNYXUQFP-QFIPXVFZSA-N 0 0 609.501 4.949 1 0 KJAFRN COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1OC(C)=O ZINC000064755252 562709173 /nfs/dbraw/zinc/70/91/73/562709173.db2.gz QNUNTTUNYXUQFP-JOCHJYFZSA-N 0 0 609.501 4.949 1 0 KJAFRN COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)c(I)cc1O ZINC000064755269 562709154 /nfs/dbraw/zinc/70/91/54/562709154.db2.gz WLDBQLPWNOOQGM-IBGZPJMESA-N 0 0 567.464 4.729 1 0 KJAFRN COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)c(I)cc1O ZINC000064755274 562709186 /nfs/dbraw/zinc/70/91/86/562709186.db2.gz WLDBQLPWNOOQGM-LJQANCHMSA-N 0 0 567.464 4.729 1 0 KJAFRN CCCCN1C(=O)[C@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000065731166 562709177 /nfs/dbraw/zinc/70/91/77/562709177.db2.gz GWNOTCOIYUNTQP-URLMMPGGSA-N 0 0 577.722 4.580 1 0 investigational KJAFRN CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)cc1[C@H](O)c1ccccc1Cl ZINC000066066542 562709414 /nfs/dbraw/zinc/70/94/14/562709414.db2.gz XXARZSCOJYHVQX-AREMUKBSSA-N 0 0 548.511 4.958 1 0 KJAFRN CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)cc1[C@@H](O)c1ccccc1Cl ZINC000066066543 562709421 /nfs/dbraw/zinc/70/94/21/562709421.db2.gz XXARZSCOJYHVQX-SANMLTNESA-N 0 0 548.511 4.958 1 0 KJAFRN CCOC(=O)C1=C(C(F)(F)F)N[C@H](SCC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000066073714 562709573 /nfs/dbraw/zinc/70/95/73/562709573.db2.gz FTCCSSSTAYHHCS-DENIHFKCSA-N 0 0 562.488 4.947 1 0 KJAFRN CCOC(=O)C1=C(C(F)(F)F)N[C@@H](SCC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000066073715 562709531 /nfs/dbraw/zinc/70/95/31/562709531.db2.gz FTCCSSSTAYHHCS-KNQAVFIVSA-N 0 0 562.488 4.947 1 0 KJAFRN CCOC(=O)C1=C(C(F)(F)F)N[C@H](SCC(=O)c2ccc(C(F)(F)F)cc2)N[C@H]1c1ccc2c(c1)OCO2 ZINC000066073716 562709536 /nfs/dbraw/zinc/70/95/36/562709536.db2.gz FTCCSSSTAYHHCS-SIKLNZKXSA-N 0 0 562.488 4.947 1 0 KJAFRN CCOC(=O)C1=C(C(F)(F)F)N[C@@H](SCC(=O)c2ccc(C(F)(F)F)cc2)N[C@H]1c1ccc2c(c1)OCO2 ZINC000066073717 562709568 /nfs/dbraw/zinc/70/95/68/562709568.db2.gz FTCCSSSTAYHHCS-UGKGYDQZSA-N 0 0 562.488 4.947 1 0 KJAFRN Cc1cc(=O)oc2cc(OCc3ccc(Cn4cncn4)cc3)cc(OCc3ccc(Cn4cncn4)cc3)c12 ZINC000066073866 562709552 /nfs/dbraw/zinc/70/95/52/562709552.db2.gz OVGKVBBHAKSPQI-UHFFFAOYSA-N 0 0 534.576 4.539 1 0 KJAFRN CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000066074082 562709670 /nfs/dbraw/zinc/70/96/70/562709670.db2.gz GWNOTCOIYUNTQP-WDYNHAJCSA-N 0 0 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/nfs/dbraw/zinc/71/28/32/562712832.db2.gz VDVFZWMAAMGFJZ-RPWUZVMVSA-N 0 0 526.339 4.668 1 0 KJAFRN O=C(NCCOc1ccccc1)O[C@@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccc2c(c1)OCO2 ZINC000066129053 562712857 /nfs/dbraw/zinc/71/28/57/562712857.db2.gz VDVFZWMAAMGFJZ-DNQXCXABSA-N 0 0 526.339 4.668 1 0 KJAFRN COc1cccc([C@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000066129115 562712828 /nfs/dbraw/zinc/71/28/28/562712828.db2.gz BGBFZNCSRCMFNC-AOYPEHQESA-N 0 0 509.511 4.663 1 0 KJAFRN COc1cccc([C@H]2Oc3ccc(OC)cc3C(=O)[C@@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000066129116 562712834 /nfs/dbraw/zinc/71/28/34/562712834.db2.gz BGBFZNCSRCMFNC-RSXGOPAZSA-N 0 0 509.511 4.663 1 0 KJAFRN COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000066129118 562712861 /nfs/dbraw/zinc/71/28/61/562712861.db2.gz BGBFZNCSRCMFNC-AHWVRZQESA-N 0 0 509.511 4.663 1 0 KJAFRN CCOC(=O)CN1c2cccc(Br)c2[C@@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@H]32)C1=O ZINC000066129706 562712984 /nfs/dbraw/zinc/71/29/84/562712984.db2.gz AFPBHCVYAOMMKI-XMERXJNXSA-N 0 0 512.400 4.758 1 0 KJAFRN CCOC(=O)CN1c2cccc(Br)c2[C@@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)C1=O ZINC000066129711 562713014 /nfs/dbraw/zinc/71/30/14/562713014.db2.gz AFPBHCVYAOMMKI-BVFVYWQFSA-N 0 0 512.400 4.758 1 0 KJAFRN CCNC(=O)Nc1sc2cc(F)ccc2c1C(=O)N1CCN(C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136380 562713080 /nfs/dbraw/zinc/71/30/80/562713080.db2.gz RCURKOOBWVLCDB-UHFFFAOYSA-N 0 0 571.641 4.519 1 0 KJAFRN COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)c4ncc(-c5ccncc5)s4)ccc3C)c2N)cc1 ZINC000066136479 562713148 /nfs/dbraw/zinc/71/31/48/562713148.db2.gz NPKQHQLGXKGLBK-UHFFFAOYSA-N 0 0 539.621 4.854 1 0 KJAFRN CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(C(=O)c1cc(I)ccc1F)CC2 ZINC000066138309 562713286 /nfs/dbraw/zinc/71/32/86/562713286.db2.gz MMSVZVRMEHKMAK-CQSZACIVSA-N 0 0 508.375 4.828 1 0 KJAFRN C/C(=C\c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCN1CCOCC1 ZINC000066138425 562713284 /nfs/dbraw/zinc/71/32/84/562713284.db2.gz ZTCDSBCIETVDQK-XMHGGMMESA-N 0 0 540.039 4.752 1 0 KJAFRN Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C(\F)C(=O)NCCN1CCOCC1 ZINC000066138430 562713305 /nfs/dbraw/zinc/71/33/05/562713305.db2.gz HJVYBTQSZTWFII-IWIPYMOSSA-N 0 0 544.002 4.659 1 0 KJAFRN COC(=O)C1=C(C(=O)OC)[C@@H]2N(CC=C(C)C)c3ccccc3[C@]23CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C3=N1 ZINC000066139076 562713406 /nfs/dbraw/zinc/71/34/06/562713406.db2.gz JDTXXUZVZBTISK-FREGXXQWSA-N 0 0 581.591 4.933 1 0 KJAFRN O=C(NCC[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2o1 ZINC000066155283 562713776 /nfs/dbraw/zinc/71/37/76/562713776.db2.gz BWQVHTJTXLIHEO-QGZVFWFLSA-N 0 0 588.273 4.647 1 0 KJAFRN O=C(NCC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2o1 ZINC000066155284 562713778 /nfs/dbraw/zinc/71/37/78/562713778.db2.gz BWQVHTJTXLIHEO-KRWDZBQOSA-N 0 0 588.273 4.647 1 0 KJAFRN COc1ccc(/C=C/C(=O)NCCOCCOC(=O)/C=C/c2c(C)oc3c2cc2c(C)cc(=O)oc2c3C)cc1OC ZINC000066156538 562713787 /nfs/dbraw/zinc/71/37/87/562713787.db2.gz ITOXWFKCFINPJM-AMMQDNIMSA-N 0 0 575.614 4.884 1 0 KJAFRN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@H](N)CC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166073 562714069 /nfs/dbraw/zinc/71/40/69/562714069.db2.gz AQFYIHXPWYMVRK-SXDGJLEOSA-N 0 0 615.779 4.611 1 0 KJAFRN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[C@@H](N)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166075 562714049 /nfs/dbraw/zinc/71/40/49/562714049.db2.gz AQFYIHXPWYMVRK-MVOZIGHISA-N 0 0 615.779 4.611 1 0 KJAFRN COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)C[C@@H](N)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166079 562714055 /nfs/dbraw/zinc/71/40/55/562714055.db2.gz AQFYIHXPWYMVRK-UXWDXCIHSA-N 0 0 615.779 4.611 1 0 KJAFRN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[C@@H](N)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166083 562714038 /nfs/dbraw/zinc/71/40/38/562714038.db2.gz AQFYIHXPWYMVRK-AWVRMFGXSA-N 0 0 615.779 4.611 1 0 KJAFRN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)[C@@H](N)CC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166108 562714032 /nfs/dbraw/zinc/71/40/32/562714032.db2.gz AQFYIHXPWYMVRK-JWZKTCGFSA-N 0 0 615.779 4.611 1 0 KJAFRN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[C@H](N)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166111 562714061 /nfs/dbraw/zinc/71/40/61/562714061.db2.gz AQFYIHXPWYMVRK-MRJKTFCFSA-N 0 0 615.779 4.611 1 0 KJAFRN COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)C[C@H](N)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166114 562714067 /nfs/dbraw/zinc/71/40/67/562714067.db2.gz AQFYIHXPWYMVRK-LXWOLXCRSA-N 0 0 615.779 4.611 1 0 KJAFRN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C[C@H](N)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066166117 562714063 /nfs/dbraw/zinc/71/40/63/562714063.db2.gz AQFYIHXPWYMVRK-IWHLBADBSA-N 0 0 615.779 4.611 1 0 KJAFRN CCOC(=O)CN1c2cccc(Br)c2[C@]2(CC(C)=CC[C@H](COc3ccccc3)O2)C1=O ZINC000066167029 562714218 /nfs/dbraw/zinc/71/42/18/562714218.db2.gz QHLHCAJYUGLXCG-KBMIEXCESA-N 0 0 500.389 4.758 1 0 KJAFRN CCOC(=O)CN1c2cccc(Br)c2[C@@]2(CC(C)=CC[C@H](COc3ccccc3)O2)C1=O ZINC000066167030 562714205 /nfs/dbraw/zinc/71/42/05/562714205.db2.gz QHLHCAJYUGLXCG-CLOONOSVSA-N 0 0 500.389 4.758 1 0 KJAFRN CCOC(=O)CN1c2cccc(Br)c2[C@@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)C1=O ZINC000066167031 562714191 /nfs/dbraw/zinc/71/41/91/562714191.db2.gz QHLHCAJYUGLXCG-DFBJGRDBSA-N 0 0 500.389 4.758 1 0 KJAFRN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066167061 562714237 /nfs/dbraw/zinc/71/42/37/562714237.db2.gz VQJKUFAIMPCANF-SZPZYZBQSA-N 0 0 572.710 4.894 1 0 KJAFRN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066167062 562714222 /nfs/dbraw/zinc/71/42/22/562714222.db2.gz VQJKUFAIMPCANF-FGZHOGPDSA-N 0 0 572.710 4.894 1 0 KJAFRN COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066167063 562714235 /nfs/dbraw/zinc/71/42/35/562714235.db2.gz VQJKUFAIMPCANF-VXKWHMMOSA-N 0 0 572.710 4.894 1 0 KJAFRN COc1ccc([C@@H]2Nc3ncccc3C(=O)N2Cc2cccnc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000066167357 562714406 /nfs/dbraw/zinc/71/44/06/562714406.db2.gz FWHVRUGCNJQELQ-MUUNZHRXSA-N 0 0 509.566 4.789 1 0 KJAFRN COc1ccc([C@H]2Nc3ncccc3C(=O)N2Cc2cccnc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000066167358 562714408 /nfs/dbraw/zinc/71/44/08/562714408.db2.gz FWHVRUGCNJQELQ-NDEPHWFRSA-N 0 0 509.566 4.789 1 0 KJAFRN CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(OC)c(OC)c2)n2c1Cc1ccccc1C2 ZINC000066251176 562714453 /nfs/dbraw/zinc/71/44/53/562714453.db2.gz JDEHCBKXYCAUFJ-UHFFFAOYSA-N 0 0 507.587 4.617 1 0 KJAFRN CCNc1nc2sc(-c3cccc([C@H](C)NC(=O)c4cccc(S(C)(=O)=O)c4)c3)nc2c2c1ncn2C ZINC000066251606 562714552 /nfs/dbraw/zinc/71/45/52/562714552.db2.gz CTKSQKUNKKLBJD-HNNXBMFYSA-N 0 0 534.667 4.571 1 0 KJAFRN CC(=O)O[C@@H]1C=C[C@H](OCCCCCOc2cc(=O)c3c(O)c(-c4ccc(O)cc4)coc-3c2)O[C@H]1C ZINC000066251649 562714542 /nfs/dbraw/zinc/71/45/42/562714542.db2.gz RRLHMJHRFMHVNM-BQVXCWBNSA-N 0 0 510.539 4.670 1 0 KJAFRN CCOC(=O)N1CCCOc2ccc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)cc21 ZINC000066251671 562714509 /nfs/dbraw/zinc/71/45/09/562714509.db2.gz VYGPGOQRHYKKHJ-UHFFFAOYSA-N 0 0 514.945 4.861 1 0 KJAFRN O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066251957 562714653 /nfs/dbraw/zinc/71/46/53/562714653.db2.gz HMEJFZSEXKCCDA-BFXDSYMESA-N 0 0 579.051 4.572 1 0 KJAFRN O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066251958 562714655 /nfs/dbraw/zinc/71/46/55/562714655.db2.gz HMEJFZSEXKCCDA-PVGYFADJSA-N 0 0 579.051 4.572 1 0 KJAFRN COc1cc(CN2C(=O)[C@@H]3CS[C@@]4(c5cc(C)ccc5N(C(=O)c5ccc(Cl)cc5)C4=O)N3C2=O)cc(OC)c1OC ZINC000066252093 562714617 /nfs/dbraw/zinc/71/46/17/562714617.db2.gz IIOGEHYBYDSAMM-SMSORMJASA-N 0 0 608.072 4.594 1 0 KJAFRN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252153 562714685 /nfs/dbraw/zinc/71/46/85/562714685.db2.gz ADHBVRBWCKLGSK-FSIVXCNASA-N 0 0 579.051 4.572 1 0 KJAFRN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252154 562714665 /nfs/dbraw/zinc/71/46/65/562714665.db2.gz ADHBVRBWCKLGSK-AAFXAJRRSA-N 0 0 579.051 4.572 1 0 KJAFRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252155 562714663 /nfs/dbraw/zinc/71/46/63/562714663.db2.gz BLRCORYESPODNI-RZRVZGFNSA-N 0 0 579.051 4.572 1 0 KJAFRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252156 562714672 /nfs/dbraw/zinc/71/46/72/562714672.db2.gz BLRCORYESPODNI-SHZPJRIYSA-N 0 0 579.051 4.572 1 0 KJAFRN CC(C)(C)OC(=O)NC1CCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)CC1 ZINC000066252229 562714668 /nfs/dbraw/zinc/71/46/68/562714668.db2.gz XBPPSPSYMKADRG-UHFFFAOYSA-N 0 0 631.818 4.781 1 0 KJAFRN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252383 562714735 /nfs/dbraw/zinc/71/47/35/562714735.db2.gz NNDFRWQUGIZALK-FSIVXCNASA-N 0 0 623.502 4.681 1 0 KJAFRN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252384 562714728 /nfs/dbraw/zinc/71/47/28/562714728.db2.gz NNDFRWQUGIZALK-AAFXAJRRSA-N 0 0 623.502 4.681 1 0 KJAFRN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252385 562714702 /nfs/dbraw/zinc/71/47/02/562714702.db2.gz MPHCCMZAVSDCIR-RZRVZGFNSA-N 0 0 623.502 4.681 1 0 KJAFRN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252386 562714772 /nfs/dbraw/zinc/71/47/72/562714772.db2.gz MPHCCMZAVSDCIR-SHZPJRIYSA-N 0 0 623.502 4.681 1 0 KJAFRN CCOC(=O)C1CCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C5CCCCC5)cc4)CC3)C2=O)CC1 ZINC000066252402 562714742 /nfs/dbraw/zinc/71/47/42/562714742.db2.gz VKCBCQFVIUAIQU-UHFFFAOYSA-N 0 0 614.787 4.817 1 0 KJAFRN COCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)CC1 ZINC000066252475 562714775 /nfs/dbraw/zinc/71/47/75/562714775.db2.gz BYTZCBJDCIRRLS-UHFFFAOYSA-N 0 0 611.768 4.602 1 0 KJAFRN CN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)CC1 ZINC000066252478 562714754 /nfs/dbraw/zinc/71/47/54/562714754.db2.gz MERVIMGBTXCSAP-UHFFFAOYSA-N 0 0 567.715 4.586 1 0 KJAFRN CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc(Oc3cccnc3)cc2)s1 ZINC000066252704 562714826 /nfs/dbraw/zinc/71/48/26/562714826.db2.gz IQIJOKPZBCRKAR-UHFFFAOYSA-N 0 0 528.656 4.748 1 0 KJAFRN CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc3oc4cccnc4c3c2)s1 ZINC000066252705 562714795 /nfs/dbraw/zinc/71/47/95/562714795.db2.gz JOPDDXGTNBLNJT-UHFFFAOYSA-N 0 0 526.640 4.855 1 0 KJAFRN CCCC(CCC)C(=O)N(C)[C@@H](C(=O)O[C@@H](C(=O)N(C)CCc1ccc(OC)c(OC)c1)c1ccccc1)C(C)(C)O ZINC000066252712 562714819 /nfs/dbraw/zinc/71/48/19/562714819.db2.gz UJNHHDVSKDUIRL-WDYNHAJCSA-N 0 0 584.754 4.804 1 0 KJAFRN CCCC(CCC)C(=O)N(C)[C@H](C(=O)O[C@@H](C(=O)N(C)CCc1ccc(OC)c(OC)c1)c1ccccc1)C(C)(C)O ZINC000066252713 562714831 /nfs/dbraw/zinc/71/48/31/562714831.db2.gz UJNHHDVSKDUIRL-FQLXRVMXSA-N 0 0 584.754 4.804 1 0 KJAFRN Cc1ccc(C(=O)N2c3ccccc3[C@@]3(SC[C@H]4C(=O)N(Cc5ccc(Cl)cc5)C(=O)N43)C2=O)cc1 ZINC000066252717 562714845 /nfs/dbraw/zinc/71/48/45/562714845.db2.gz FTRDFLCJKASACB-WXVAWEFUSA-N 0 0 517.994 4.568 1 0 KJAFRN CC(=O)N1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)CC1 ZINC000066252765 562714870 /nfs/dbraw/zinc/71/48/70/562714870.db2.gz ZAUSBSFKXPMEBM-UHFFFAOYSA-N 0 0 609.752 4.892 1 0 KJAFRN CC[C@@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066252798 562714863 /nfs/dbraw/zinc/71/48/63/562714863.db2.gz IRUXBOBIFWAWNZ-RUZDIDTESA-N 0 0 544.740 4.914 1 0 KJAFRN CC[C@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066252799 562714868 /nfs/dbraw/zinc/71/48/68/562714868.db2.gz IRUXBOBIFWAWNZ-VWLOTQADSA-N 0 0 544.740 4.914 1 0 KJAFRN C[C@@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066252800 562714840 /nfs/dbraw/zinc/71/48/40/562714840.db2.gz WBQGXOLRCUSPNY-XMMPIXPASA-N 0 0 530.713 4.524 1 0 KJAFRN C[C@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066252801 562714898 /nfs/dbraw/zinc/71/48/98/562714898.db2.gz WBQGXOLRCUSPNY-DEOSSOPVSA-N 0 0 530.713 4.524 1 0 KJAFRN CC(=O)N[C@@H]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258288 562714981 /nfs/dbraw/zinc/71/49/81/562714981.db2.gz IIVNLXXBFIWTOK-LJQANCHMSA-N 0 0 579.549 4.973 1 0 KJAFRN CC(=O)N[C@H]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258289 562714954 /nfs/dbraw/zinc/71/49/54/562714954.db2.gz IIVNLXXBFIWTOK-IBGZPJMESA-N 0 0 579.549 4.973 1 0 KJAFRN O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258755 562715078 /nfs/dbraw/zinc/71/50/78/562715078.db2.gz UDRZYNFGXGBARQ-RXJWUWLLSA-N 0 0 597.041 4.711 1 0 KJAFRN O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258756 562715064 /nfs/dbraw/zinc/71/50/64/562715064.db2.gz UDRZYNFGXGBARQ-PJCMVOJSSA-N 0 0 597.041 4.711 1 0 KJAFRN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258757 562715047 /nfs/dbraw/zinc/71/50/47/562715047.db2.gz BSZIDQZRUOBOKO-UZGAGFRRSA-N 0 0 597.041 4.711 1 0 KJAFRN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258758 562715080 /nfs/dbraw/zinc/71/50/80/562715080.db2.gz BSZIDQZRUOBOKO-OBBFJSJASA-N 0 0 597.041 4.711 1 0 KJAFRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258759 562715055 /nfs/dbraw/zinc/71/50/55/562715055.db2.gz VRAAVKXAHUPDTR-RLDRVVDPSA-N 0 0 597.041 4.711 1 0 KJAFRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258760 562715041 /nfs/dbraw/zinc/71/50/41/562715041.db2.gz VRAAVKXAHUPDTR-ZKBJDZFASA-N 0 0 597.041 4.711 1 0 KJAFRN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)N1CCC(CCO)CC1 ZINC000066258832 562715099 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562715194 /nfs/dbraw/zinc/71/51/94/562715194.db2.gz UGLFRISQVRVLPK-UHFFFAOYSA-N 0 0 554.672 4.670 1 0 KJAFRN C[C@@H]1CN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3oc4ccccc4c32)C[C@H](C)O1 ZINC000066259283 562715222 /nfs/dbraw/zinc/71/52/22/562715222.db2.gz AZWFQTRUEZYTCK-OYRHEFFESA-N 0 0 566.658 4.979 1 0 KJAFRN O=C(c1ccc(Cl)cc1)N1c2ccccc2[C@@]2(SC[C@H]3C(=O)N(Cc4ccc(Cl)cc4)C(=O)N32)C1=O ZINC000066259425 562715268 /nfs/dbraw/zinc/71/52/68/562715268.db2.gz ZFBCEZQNNZRDAL-HFZDXXHNSA-N 0 0 538.412 4.913 1 0 KJAFRN O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c21 ZINC000066259510 562715277 /nfs/dbraw/zinc/71/52/77/562715277.db2.gz ZJECNFCJFNOBMZ-UHFFFAOYSA-N 0 0 631.762 4.722 1 0 KJAFRN O=C(Nc1cccc(OCCCCN2CCN(C(=O)C(F)(F)F)CC2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000066259544 562715280 /nfs/dbraw/zinc/71/52/80/562715280.db2.gz YQXPUEMRFDXDCW-UHFFFAOYSA-N 0 0 522.612 4.642 1 0 KJAFRN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C5CCCCC5)cc4)CC3)C2=O)C1 ZINC000066259625 562715303 /nfs/dbraw/zinc/71/53/03/562715303.db2.gz GANJLGKIOLJNLS-SSEXGKCCSA-N 0 0 614.787 4.817 1 0 KJAFRN CCOC(=O)[C@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C5CCCCC5)cc4)CC3)C2=O)C1 ZINC000066259626 562715290 /nfs/dbraw/zinc/71/52/90/562715290.db2.gz GANJLGKIOLJNLS-PMERELPUSA-N 0 0 614.787 4.817 1 0 KJAFRN Nc1ccc(-c2nn3c(nnc3-c3ccc(S(=O)(=O)c4ccc(Br)cc4)cc3)s2)cc1 ZINC000066259752 562715345 /nfs/dbraw/zinc/71/53/45/562715345.db2.gz CUAOZCNLXJPDIC-UHFFFAOYSA-N 0 0 512.414 4.697 1 0 KJAFRN COC(=O)CCCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066259938 562715384 /nfs/dbraw/zinc/71/53/84/562715384.db2.gz GLIIILKTVJNDLX-UHFFFAOYSA-N 0 0 602.776 4.865 1 0 KJAFRN CC(C)(C)OC(=O)NCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066259939 562715387 /nfs/dbraw/zinc/71/53/87/562715387.db2.gz APYKQKXLNZTACO-UHFFFAOYSA-N 0 0 617.791 4.656 1 0 KJAFRN CC(C)(C)OC(=O)NCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066259940 562715358 /nfs/dbraw/zinc/71/53/58/562715358.db2.gz MSAURAMVTGXNQF-UHFFFAOYSA-N 0 0 603.764 4.614 1 0 KJAFRN CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc(Oc3ccncc3)cc2)s1 ZINC000066260003 562715400 /nfs/dbraw/zinc/71/54/00/562715400.db2.gz PHUFFFZBIRHVHZ-UHFFFAOYSA-N 0 0 528.656 4.748 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066260086 562715391 /nfs/dbraw/zinc/71/53/91/562715391.db2.gz LZWZDHXELCOEBM-NDEPHWFRSA-N 0 0 631.818 4.781 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066260087 562715426 /nfs/dbraw/zinc/71/54/26/562715426.db2.gz LZWZDHXELCOEBM-MUUNZHRXSA-N 0 0 631.818 4.781 1 0 KJAFRN C[C@@H]1CN(CC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000066262155 562715480 /nfs/dbraw/zinc/71/54/80/562715480.db2.gz SFRLOJZIDVCTNY-OYRHEFFESA-N 0 0 583.714 4.614 1 0 KJAFRN CC(C)COC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cnc2c1nc(N)nc2NC1CC1)N[C@@H](Cc1ccccc1)C(=O)OCC(C)C ZINC000068150797 562715858 /nfs/dbraw/zinc/71/58/58/562715858.db2.gz YTMOQFAFGKLYIW-CONSDPRKSA-N 0 0 734.839 4.950 1 0 KJAFRN C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2 ZINC000068152781 562715842 /nfs/dbraw/zinc/71/58/42/562715842.db2.gz ZZWJKLGCDHYVMB-IFCAXNDLSA-N 0 0 606.626 4.595 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000068198106 562715872 /nfs/dbraw/zinc/71/58/72/562715872.db2.gz IZIOAZDJRVWQEA-UHFFFAOYSA-N 0 0 539.518 4.588 1 0 KJAFRN CN1CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198773 562715963 /nfs/dbraw/zinc/71/59/63/562715963.db2.gz AYTHGYXLJROVNU-WBLQKYSJSA-N 0 0 511.610 4.869 1 0 KJAFRN Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cc(Cl)cn3)n1)CN(C(=O)NC13CC(C1)C3)C2 ZINC000068201317 562715918 /nfs/dbraw/zinc/71/59/18/562715918.db2.gz WRWZEKQOZJJZBL-UHFFFAOYSA-N 0 0 534.835 4.539 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C)cc(C(=O)N(C)Cc3nc(C)oc3C)c2)cc1 ZINC000068203929 562715984 /nfs/dbraw/zinc/71/59/84/562715984.db2.gz VYTQZAGDUBREEP-QWOOXDRHSA-N 0 0 690.863 4.930 1 0 in-vitro KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C(=O)N(C)Cc3csc(C)n3)c2)cc1 ZINC000068203931 562715980 /nfs/dbraw/zinc/71/59/80/562715980.db2.gz GETZRYDXTVBXFS-JHOUSYSJSA-N 0 0 678.877 4.781 1 0 KJAFRN CCS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000068205697 562716011 /nfs/dbraw/zinc/71/60/11/562716011.db2.gz WUDZJQWBTPHKFV-UHFFFAOYSA-N 0 0 573.359 4.966 1 0 KJAFRN NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2oc(=O)[nH]c2c1 ZINC000068207171 562716037 /nfs/dbraw/zinc/71/60/37/562716037.db2.gz WUKAUWACUXJAGM-UHFFFAOYSA-N 0 0 523.233 4.639 1 0 KJAFRN COCC[C@@H]1CCCCN1C(=O)CN1c2ccccc2-n2c(-c3ccccc3)nnc2[C@H](Cc2[nH]nc3ccccc32)C1=O ZINC000068207451 562716042 /nfs/dbraw/zinc/71/60/42/562716042.db2.gz WQSSRJFWNHCCOZ-AHWVRZQESA-N 0 0 589.700 4.901 1 0 KJAFRN COCC[C@H]1CCCCN1C(=O)CN1c2ccccc2-n2c(-c3ccccc3)nnc2[C@H](Cc2[nH]nc3ccccc32)C1=O ZINC000068207455 562716053 /nfs/dbraw/zinc/71/60/53/562716053.db2.gz WQSSRJFWNHCCOZ-RSXGOPAZSA-N 0 0 589.700 4.901 1 0 KJAFRN CN1CCN(C(=O)[C@@H](COCc2ccnc(Cl)c2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000068245743 562716085 /nfs/dbraw/zinc/71/60/85/562716085.db2.gz ACYMETHQFZHOBR-OAQYLSRUSA-N 0 0 612.436 4.684 1 0 KJAFRN Cc1c(N2CCCCC2=O)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000068248872 562716216 /nfs/dbraw/zinc/71/62/16/562716216.db2.gz KKOMNEJUKMXMKP-UHFFFAOYSA-N 0 0 531.632 4.631 1 0 KJAFRN CC(C)(Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(C(=O)NC4CC4)cc3)n2n1)C(F)(F)F ZINC000068267013 562716303 /nfs/dbraw/zinc/71/63/03/562716303.db2.gz LVBWRNKEBGYENR-UHFFFAOYSA-N 0 0 516.568 4.880 1 0 in-vitro KJAFRN O=C(O[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](O)c2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000068267820 562716331 /nfs/dbraw/zinc/71/63/31/562716331.db2.gz IDBLZYJFOOVSBY-FKRCVWNDSA-N 0 0 535.551 4.524 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000070450961 560049056 /nfs/dbraw/zinc/04/90/56/560049056.db2.gz ZNXDFTKQSCEJGE-CEFZEKJPSA-N 0 0 538.593 4.944 1 0 biogenic,in-vitro KJAFRN COC(=O)c1c2c(c3ccccc3c1O)O[C@]13[C@@H]2Oc2c4ccccc4c(O)c(C(=O)OC)c2[C@H]1C(=O)OC3(C)C ZINC000070451242 291866938 /nfs/dbraw/zinc/86/69/38/291866938.db2.gz XKMQEXKAMXHKQU-YPYZRGTLSA-N 0 0 556.523 4.661 1 0 biogenic,in-vitro KJAFRN O=c1cc(CCc2ccccc2)oc2cc3c(cc12)O[C@H]1c2c(=O)cc(CCc4ccccc4)oc2[C@@H](O)[C@H](O)[C@@H]1O3 ZINC000070454124 560048531 /nfs/dbraw/zinc/04/85/31/560048531.db2.gz ILOGCUKGCBZBPE-MKJGCKHTSA-N 0 0 564.590 4.606 1 0 biogenic,in-vitro KJAFRN CC(=O)O[C@@H]1CC(=O)C(C)(C)CC=C(C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000070455077 291857849 /nfs/dbraw/zinc/85/78/49/291857849.db2.gz VWSCEDLUJPCZIA-RKIZMODCSA-N 0 0 538.637 4.808 1 0 biogenic,in-vitro KJAFRN CC1(C)O[C@]23[C@H](OC(=O)c4ccccc4)[C@H]1C[C@H](OC(=O)c1cccnc1)[C@]2(C)[C@@H](OC(=O)c1cccnc1)CC[C@]3(C)O ZINC000070457514 565120966 /nfs/dbraw/zinc/12/09/66/565120966.db2.gz HQQYEJRHKSTVGF-HOAUSIGRSA-N 0 0 600.668 4.572 1 0 biogenic,in-vitro KJAFRN O=C(Nc1ccc(Br)cc1Br)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000070631562 562716399 /nfs/dbraw/zinc/71/63/99/562716399.db2.gz FDTFXLZJHIYZIA-QXUMQBBKSA-N 0 0 516.189 4.775 1 0 KJAFRN O=C(Nc1ccc(Br)c(Br)c1)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000070631563 562716402 /nfs/dbraw/zinc/71/64/02/562716402.db2.gz GKTJEVQPHSYRDX-QXUMQBBKSA-N 0 0 516.189 4.775 1 0 KJAFRN Cc1c(NC(=O)c2ccc(C(C)(C)C)nc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000070718727 562716499 /nfs/dbraw/zinc/71/64/99/562716499.db2.gz UELBFGOGQPMFRP-UHFFFAOYSA-N 0 0 580.689 4.917 1 0 KJAFRN CCCCCCc1cn([C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)nn1 ZINC000071281471 562716694 /nfs/dbraw/zinc/71/66/94/562716694.db2.gz ZUNBZSJIGSBNJN-GVQBMFDGSA-N 0 0 549.624 4.680 1 0 KJAFRN CCCCCCC(=O)c1c2c(nc3ccc(OC)cc31)-c1cc3c(c(=O)n1C2)COC(=O)C[C@]3(O)CC ZINC000071294272 562716810 /nfs/dbraw/zinc/71/68/10/562716810.db2.gz GZDCIXMNNWVGCA-GDLZYMKVSA-N 0 0 504.583 4.631 1 0 KJAFRN CCCCCCC(=O)c1c2c(nc3ccc(OC)cc31)-c1cc3c(c(=O)n1C2)COC(=O)C[C@@]3(O)CC ZINC000071294273 562716826 /nfs/dbraw/zinc/71/68/26/562716826.db2.gz GZDCIXMNNWVGCA-LJAQVGFWSA-N 0 0 504.583 4.631 1 0 KJAFRN CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC)cc2c(C(=O)c2ccc(C(F)(F)F)cc2)c1C3 ZINC000071294830 562716986 /nfs/dbraw/zinc/71/69/86/562716986.db2.gz BTPLHNIZXCQRKQ-LJAQVGFWSA-N 0 0 564.516 4.728 1 0 KJAFRN CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC)cc2c(C(=O)c2ccc(C(F)(F)F)cc2)c1C3 ZINC000071294831 562717064 /nfs/dbraw/zinc/71/70/64/562717064.db2.gz BTPLHNIZXCQRKQ-GDLZYMKVSA-N 0 0 564.516 4.728 1 0 KJAFRN COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OCCN3COc4ccccc4C3=O)cc21 ZINC000071294941 562717023 /nfs/dbraw/zinc/71/70/23/562717023.db2.gz YDIXIIXMJQQCBY-UHFFFAOYSA-N 0 0 532.980 4.878 1 0 KJAFRN CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1ccc2ccccc2c1 ZINC000071294952 562717026 /nfs/dbraw/zinc/71/70/26/562717026.db2.gz AKWMFSVEKLMXHW-XIFFEERXSA-N 0 0 546.579 4.863 1 0 KJAFRN CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1ccc2ccccc2c1 ZINC000071294953 562717025 /nfs/dbraw/zinc/71/70/25/562717025.db2.gz AKWMFSVEKLMXHW-MGBGTMOVSA-N 0 0 546.579 4.863 1 0 KJAFRN O=C(c1cccc(Nc2ncnc3ccccc32)c1)N1CCN(c2ncc(Cc3ccccc3)cn2)CC1 ZINC000071295156 562717134 /nfs/dbraw/zinc/71/71/34/562717134.db2.gz AXLORJMXVSLFAT-UHFFFAOYSA-N 0 0 501.594 4.717 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]2OC(C)=O ZINC000071295912 562717367 /nfs/dbraw/zinc/71/73/67/562717367.db2.gz JFBLYFBBLCKNMR-LPWDXZGXSA-N 0 0 516.543 4.611 1 0 in-vitro KJAFRN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)c2nnn[n-]2)CC1 ZINC000071296105 562717432 /nfs/dbraw/zinc/71/74/32/562717432.db2.gz JWBCOXHRHLBATD-ZVBBVAIHSA-N 0 0 566.754 4.954 1 0 KJAFRN NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2)cc1 ZINC000071296318 562717488 /nfs/dbraw/zinc/71/74/88/562717488.db2.gz CSEPEVFNTFMBAE-UHFFFAOYSA-N 0 0 543.571 4.960 1 0 KJAFRN NS(=O)(=O)c1ccc(-n2nc(CNC(=O)Nc3cccc(C(F)(F)F)c3)cc2-c2ccccc2)cc1 ZINC000071296381 562717511 /nfs/dbraw/zinc/71/75/11/562717511.db2.gz IPBAGVOSINAMJY-UHFFFAOYSA-N 0 0 515.517 4.527 1 0 KJAFRN CC[C@@H](C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@H]2[C@](C)([C@@H](O)C[C@H]3OC(C)=O)[C@H]2CC[C@@](C)([C@@H](C)[C@H]3COC(=O)C3)C[C@]12C ZINC000071297066 562717687 /nfs/dbraw/zinc/71/76/87/562717687.db2.gz MROCGOLKYILTRS-UQNYKDQTSA-N 0 0 562.744 4.694 1 0 KJAFRN CC[C@H](C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@H]2[C@](C)([C@@H](O)C[C@H]3OC(C)=O)[C@H]2CC[C@@](C)([C@@H](C)[C@H]3COC(=O)C3)C[C@]12C ZINC000071297067 562717710 /nfs/dbraw/zinc/71/77/10/562717710.db2.gz MROCGOLKYILTRS-MJZQKJOBSA-N 0 0 562.744 4.694 1 0 KJAFRN Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2-c2ccccc2)cn1 ZINC000071315872 562717738 /nfs/dbraw/zinc/71/77/38/562717738.db2.gz CEANXNAMUUCBQK-UHFFFAOYSA-N 0 0 529.608 4.858 1 0 KJAFRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(CCO)CC1 ZINC000071315970 562717812 /nfs/dbraw/zinc/71/78/12/562717812.db2.gz LCTOPLVJTJGEPD-RUZDIDTESA-N 0 0 545.989 4.880 1 0 KJAFRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(CCO)CC1 ZINC000071315971 562717819 /nfs/dbraw/zinc/71/78/19/562717819.db2.gz LCTOPLVJTJGEPD-VWLOTQADSA-N 0 0 545.989 4.880 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCc3c[nH]c5ccccc35)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000071316120 562717835 /nfs/dbraw/zinc/71/78/35/562717835.db2.gz XJWBGDSOQZTLDF-GEYQZXRLSA-N 0 0 600.624 4.867 1 0 KJAFRN CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc21 ZINC000071316298 562717913 /nfs/dbraw/zinc/71/79/13/562717913.db2.gz DSTBNUILTCRZAL-UHFFFAOYSA-N 0 0 584.642 4.736 1 0 KJAFRN CCN(Cc1c(Cl)cncc1Cl)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 ZINC000071316301 562717908 /nfs/dbraw/zinc/71/79/08/562717908.db2.gz URQQWTLRIVLHHG-UHFFFAOYSA-N 0 0 562.933 4.657 1 0 KJAFRN O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccccc1)Cc1ccncc1 ZINC000071316360 562717881 /nfs/dbraw/zinc/71/78/81/562717881.db2.gz OWGWIDVJYFPTSN-UHFFFAOYSA-N 0 0 556.114 4.531 1 0 KJAFRN Cc1cc(C)cc(S(=O)(=O)c2c3cc(Br)ccc3[nH]c2C(=O)NCN2CCCCC2)c1 ZINC000071316592 562718006 /nfs/dbraw/zinc/71/80/06/562718006.db2.gz DRBRRJMHVFQSGA-UHFFFAOYSA-N 0 0 504.450 4.553 1 0 KJAFRN Cc1cc(C)cc(S(=O)(=O)c2c3cc(Br)ccc3[nH]c2C(=O)NCCn2cccc2)c1 ZINC000071316629 562718009 /nfs/dbraw/zinc/71/80/09/562718009.db2.gz XAWLAGREDHXBGA-UHFFFAOYSA-N 0 0 500.418 4.612 1 0 KJAFRN CCOC(=O)c1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000071316667 562717986 /nfs/dbraw/zinc/71/79/86/562717986.db2.gz GRMSECMBYSJHNU-UHFFFAOYSA-N 0 0 538.029 4.947 1 0 KJAFRN CCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1 ZINC000071316763 562718039 /nfs/dbraw/zinc/71/80/39/562718039.db2.gz BTZVEQWJFTWVLA-UHFFFAOYSA-N 0 0 538.029 4.947 1 0 KJAFRN COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1 ZINC000071316772 562718037 /nfs/dbraw/zinc/71/80/37/562718037.db2.gz XWRMPFWJQSYTJH-UHFFFAOYSA-N 0 0 574.507 4.773 1 0 KJAFRN CS(=O)(=O)c1ccc(-n2nc(CNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2-c2ccccc2)cc1 ZINC000071316963 562718119 /nfs/dbraw/zinc/71/81/19/562718119.db2.gz BEOYZUSHFBUFIB-UHFFFAOYSA-N 0 0 504.656 4.711 1 0 KJAFRN CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc21 ZINC000071317099 562718183 /nfs/dbraw/zinc/71/81/83/562718183.db2.gz MWHCPHOXOKDGTO-MRXNPFEDSA-N 0 0 534.560 4.797 1 0 KJAFRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1 ZINC000071317362 562718217 /nfs/dbraw/zinc/71/82/17/562718217.db2.gz VGFGFTYVCQIFID-AWEZNQCLSA-N 0 0 568.055 4.711 1 0 KJAFRN COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1 ZINC000071317363 562718229 /nfs/dbraw/zinc/71/82/29/562718229.db2.gz VGFGFTYVCQIFID-CQSZACIVSA-N 0 0 568.055 4.711 1 0 KJAFRN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(Br)cc(Br)c3)c3ccccc23)no1 ZINC000071317848 562718307 /nfs/dbraw/zinc/71/83/07/562718307.db2.gz GYJSMHRQTLFKIE-UHFFFAOYSA-N 0 0 567.259 4.923 1 0 KJAFRN CCc1ccc(S(=O)(=O)N2CCN(c3cc(OC)cc(OC)c3)C[C@@H]2C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000071318261 562718489 /nfs/dbraw/zinc/71/84/89/562718489.db2.gz HRHAPBFOGFQNHW-HHHXNRCGSA-N 0 0 592.545 4.769 1 0 KJAFRN Cn1cc(C(=O)c2nn(-c3ccccc3)nc2NC(=O)c2cnn3c2nccc3-c2ccccc2)c2ccccc21 ZINC000071318262 562718488 /nfs/dbraw/zinc/71/84/88/562718488.db2.gz JRLLGHLBGRSATL-UHFFFAOYSA-N 0 0 538.571 4.952 1 0 KJAFRN NS(=O)(=O)c1ccc(-n2nc(CCNC(=O)Nc3cccc(C(F)(F)F)c3)cc2-c2ccccc2)cc1 ZINC000071318378 562718505 /nfs/dbraw/zinc/71/85/05/562718505.db2.gz UUGVSHPGHRTCIE-UHFFFAOYSA-N 0 0 529.544 4.570 1 0 KJAFRN CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc21 ZINC000071318557 562718548 /nfs/dbraw/zinc/71/85/48/562718548.db2.gz MWHCPHOXOKDGTO-INIZCTEOSA-N 0 0 534.560 4.797 1 0 KJAFRN NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccc(Cl)cc3)cc2-c2ccccc2)cc1 ZINC000071318794 562718618 /nfs/dbraw/zinc/71/86/18/562718618.db2.gz JZURNDJEQHFENW-UHFFFAOYSA-N 0 0 510.019 4.594 1 0 KJAFRN CCOC(=O)Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1 ZINC000071318952 562718667 /nfs/dbraw/zinc/71/86/67/562718667.db2.gz TZXJAKPSNICQKT-UHFFFAOYSA-N 0 0 552.056 4.876 1 0 KJAFRN Cc1cccc(-c2ccnc3c(C(=O)Nc4nn(-c5ccccc5)nc4C(=O)c4cn(C)c5ccccc45)cnn32)n1 ZINC000071319043 562718676 /nfs/dbraw/zinc/71/86/76/562718676.db2.gz NNYBQZXOLDIZQT-UHFFFAOYSA-N 0 0 553.586 4.655 1 0 KJAFRN CC(C)n1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2Cl)cn1 ZINC000071319368 562718788 /nfs/dbraw/zinc/71/87/88/562718788.db2.gz PYFMPAWBPVAOQN-UHFFFAOYSA-N 0 0 516.009 4.889 1 0 KJAFRN NS(=O)(=O)c1ccc(-n2nc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2-c2ccccc2)cc1 ZINC000071329145 562718817 /nfs/dbraw/zinc/71/88/17/562718817.db2.gz ZZOVZYIULUZEHF-UHFFFAOYSA-N 0 0 501.490 4.850 1 0 KJAFRN NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccccc2)cc1 ZINC000071330470 562719123 /nfs/dbraw/zinc/71/91/23/562719123.db2.gz QSSFQCIDYRJNEF-UHFFFAOYSA-N 0 0 559.570 4.840 1 0 KJAFRN NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3cccc(C(F)(F)F)c3)cc2-c2ccccc2)cc1 ZINC000071330518 562719137 /nfs/dbraw/zinc/71/91/37/562719137.db2.gz RTBLKQRJBQTBLS-UHFFFAOYSA-N 0 0 543.571 4.960 1 0 KJAFRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](c1ccc(Br)cc1)N1CCN(CCO)CC1 ZINC000071330644 562719172 /nfs/dbraw/zinc/71/91/72/562719172.db2.gz SICKAZBTNARWPF-RUZDIDTESA-N 0 0 556.888 4.623 1 0 KJAFRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](c1ccc(Br)cc1)N1CCN(CCO)CC1 ZINC000071330646 562719170 /nfs/dbraw/zinc/71/91/70/562719170.db2.gz SICKAZBTNARWPF-VWLOTQADSA-N 0 0 556.888 4.623 1 0 KJAFRN Nc1cc(Cl)cc2c1OCC(=O)N2Cc1nnc(CCc2ccc(Cl)cc2)n1CCC(F)(F)F ZINC000071331129 562719282 /nfs/dbraw/zinc/71/92/82/562719282.db2.gz HWWOXEMWIWNSPE-UHFFFAOYSA-N 0 0 514.335 4.830 1 0 KJAFRN CCN1C2=N[C@H](C(C)C)CN2c2c(nc(-c3ccc(N4CCCCC4)nc3)n2Cc2ccc(F)c(F)c2)C1=O ZINC000071331161 562719268 /nfs/dbraw/zinc/71/92/68/562719268.db2.gz MHMMJFOVSBYLFV-QHCPKHFHSA-N 0 0 533.627 4.938 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)nnc21)N1CCC2(CC1)OC(=O)Nc1ncccc12 ZINC000071331269 562719263 /nfs/dbraw/zinc/71/92/63/562719263.db2.gz NFYFJJYDJMNIRR-DNVCBOLYSA-N 0 0 591.541 4.938 1 0 KJAFRN CS(=O)(=O)c1cc(Cl)cc2c1OCC(=O)N2Cc1nnc(CCc2ccc(Cl)cc2)n1CCC(F)(F)F ZINC000071331321 562719256 /nfs/dbraw/zinc/71/92/56/562719256.db2.gz LJTXTKYBYRLTEU-UHFFFAOYSA-N 0 0 577.412 4.652 1 0 KJAFRN O=C(NCc1ccc(Cc2cccc3ccccc32)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000071331351 562719275 /nfs/dbraw/zinc/71/92/75/562719275.db2.gz DKVHLXUUPZRRCM-JCYYIGJDSA-N 0 0 549.092 4.847 1 0 KJAFRN CCN1C2=N[C@H](C(C)C)CN2c2c(nc(-c3ccc(C(=O)N4CCCCC4)nc3)n2Cc2ccc(F)c(F)c2)C1=O ZINC000071331422 562719267 /nfs/dbraw/zinc/71/92/67/562719267.db2.gz WIYWWMVKFSEFCH-DEOSSOPVSA-N 0 0 561.637 4.574 1 0 KJAFRN CN1CCN(C(=S)SCCC(=O)Nc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1 ZINC000071332108 562719343 /nfs/dbraw/zinc/71/93/43/562719343.db2.gz USLCCURGBSJKHS-UHFFFAOYSA-N 0 0 519.071 4.760 1 0 KJAFRN COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCc1scnc1C ZINC000071332191 562719336 /nfs/dbraw/zinc/71/93/36/562719336.db2.gz ARHFHGURVXFXEN-QFIPXVFZSA-N 0 0 564.129 4.595 1 0 KJAFRN COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cccnc3OC)(N3CCC[C@@H]3c3ncco3)C2=O)c(OC)c1 ZINC000071332428 562719398 /nfs/dbraw/zinc/71/93/98/562719398.db2.gz ASOTVOFICYBESK-BTYSJIOQSA-N 0 0 611.076 4.565 1 0 KJAFRN COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cccnc3OC)(N3CCC[C@H]3c3ncco3)C2=O)c(OC)c1 ZINC000071332430 562719370 /nfs/dbraw/zinc/71/93/70/562719370.db2.gz ASOTVOFICYBESK-IADCTJSHSA-N 0 0 611.076 4.565 1 0 KJAFRN COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)N(C)CCc3ccccn3)c3cc(F)ccc32)c(C)c1C ZINC000071332660 562719391 /nfs/dbraw/zinc/71/93/91/562719391.db2.gz KJRAPLHQNVKPNK-UHFFFAOYSA-N 0 0 523.630 4.590 1 0 KJAFRN COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cccnc3OC)(N3CCC[C@H]3c3ncco3)C2=O)cc1 ZINC000071333329 562719412 /nfs/dbraw/zinc/71/94/12/562719412.db2.gz NCSCKPXPEIUAQN-CUBQBAPOSA-N 0 0 581.050 4.556 1 0 KJAFRN CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCN5CCOCC5)c4)ccc3o2)c1 ZINC000071333366 562719469 /nfs/dbraw/zinc/71/94/69/562719469.db2.gz FZNVJIJNWWXKAZ-UHFFFAOYSA-N 0 0 501.587 4.944 1 0 KJAFRN CCN1C2=N[C@H](C(C)C)CN2c2c(nc(-c3ccc(C(=O)N4CCCC(F)(F)C4)nc3)n2Cc2ccc(F)c(F)c2)C1=O ZINC000071333522 562719504 /nfs/dbraw/zinc/71/95/04/562719504.db2.gz AIJYOPZUOCNERT-QHCPKHFHSA-N 0 0 597.617 4.819 1 0 KJAFRN COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cccnc3OC)(N3CCC[C@@H]3c3ccccn3)C2=O)c(OC)c1 ZINC000071333555 562719500 /nfs/dbraw/zinc/71/95/00/562719500.db2.gz OWRASIZNHNCSKC-NEEKEDPPSA-N 0 0 621.115 4.972 1 0 KJAFRN COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cccnc3OC)(N3CCC[C@H]3c3ccccn3)C2=O)c(OC)c1 ZINC000071333558 562719508 /nfs/dbraw/zinc/71/95/08/562719508.db2.gz OWRASIZNHNCSKC-HVNZXBJASA-N 0 0 621.115 4.972 1 0 KJAFRN CCN1C2=N[C@H](C(C)C)CN2c2c(nc(-c3ccc(C(=O)N4CCC(F)(F)CC4)nc3)n2Cc2ccc(F)c(F)c2)C1=O ZINC000071333935 562719557 /nfs/dbraw/zinc/71/95/57/562719557.db2.gz LNTZROYKNQQUPG-QHCPKHFHSA-N 0 0 597.617 4.819 1 0 KJAFRN CCN1C2=N[C@H](C(C)C)CN2c2c(nc(-c3ccc(C(F)(F)F)nc3)n2Cc2ccc(F)c(F)c2)C1=O ZINC000071334355 562719568 /nfs/dbraw/zinc/71/95/68/562719568.db2.gz AJUOUKOMXGKXDY-SFHVURJKSA-N 0 0 518.490 4.967 1 0 KJAFRN CCCC/C(=C\c1ccc(O)c(OC)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1 ZINC000071334430 562719601 /nfs/dbraw/zinc/71/96/01/562719601.db2.gz ZVFVCZGDAPWMJD-NIJSQZSCSA-N 0 0 558.675 4.639 1 0 KJAFRN COCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12 ZINC000071334446 562719595 /nfs/dbraw/zinc/71/95/95/562719595.db2.gz BONUNHZCNMSCGH-VGOFRKELSA-N 0 0 552.582 4.584 1 0 KJAFRN COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000071334515 562719575 /nfs/dbraw/zinc/71/95/75/562719575.db2.gz JCGMRLVNSPQGSJ-XMSQKQJNSA-N 0 0 579.652 4.746 1 0 KJAFRN COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCSC(=S)N1CCN(C)CC1 ZINC000071340328 562719722 /nfs/dbraw/zinc/71/97/22/562719722.db2.gz NUZYOVNAKIDTDE-UHFFFAOYSA-N 0 0 549.097 4.769 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)cnc21)N1CCC2(CC1)C(=O)Nc1ncccc12 ZINC000071340721 562719797 /nfs/dbraw/zinc/71/97/97/562719797.db2.gz ULCGVMPPRBYWMX-IIBYNOLFSA-N 0 0 574.554 4.975 1 0 KJAFRN CCN1C2=N[C@H](C(C)C)CN2c2c(nc(-c3ccnc(C(F)(F)F)c3)n2Cc2ccc(F)c(F)c2)C1=O ZINC000071340866 562719859 /nfs/dbraw/zinc/71/98/59/562719859.db2.gz PJJMMOPANMCMGY-SFHVURJKSA-N 0 0 518.490 4.967 1 0 KJAFRN Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(NC(=O)C(N)=O)cc3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071340893 562719853 /nfs/dbraw/zinc/71/98/53/562719853.db2.gz JLGOSPHNSHJJGO-UHFFFAOYSA-N 0 0 580.689 4.859 1 0 KJAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071341255 562719940 /nfs/dbraw/zinc/71/99/40/562719940.db2.gz CYXUBJLWUBIUQJ-UHFFFAOYSA-N 0 0 597.059 4.878 1 0 KJAFRN CC(C)S(=O)(=O)CCO[C@]12CCCC[C@@]1(S(=O)(=O)c1ccc(Cl)cc1)c1c(F)ccc(F)c1OC2 ZINC000071341629 562720014 /nfs/dbraw/zinc/72/00/14/562720014.db2.gz ZDYFKKVRZRIBRO-BJKOFHAPSA-N 0 0 549.057 4.832 1 0 KJAFRN COC(C)(C)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12 ZINC000071341861 562720054 /nfs/dbraw/zinc/72/00/54/562720054.db2.gz ZRQQTMZQOCPQHF-XMSQKQJNSA-N 0 0 564.637 4.752 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2cc(CC(F)(F)F)nc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000071341897 562720070 /nfs/dbraw/zinc/72/00/70/562720070.db2.gz LEZDWRNJGFRDJB-IIBYNOLFSA-N 0 0 589.569 4.970 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(-c3nccs3)cnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000071405046 562720127 /nfs/dbraw/zinc/72/01/27/562720127.db2.gz UCMJAAYLOOVQGB-DYESRHJHSA-N 0 0 590.660 4.988 1 0 KJAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071405063 562720146 /nfs/dbraw/zinc/72/01/46/562720146.db2.gz WTHRKRROCOIOLD-UHFFFAOYSA-N 0 0 565.095 4.871 1 0 KJAFRN CC(C)(O)c1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc12 ZINC000071405077 562720141 /nfs/dbraw/zinc/72/01/41/562720141.db2.gz CGDYLVJZINGUBY-DYESRHJHSA-N 0 0 566.609 4.665 1 0 KJAFRN CCCCCCc1c(=O)n(-c2cccc(Cl)c2)cnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000071410530 562720154 /nfs/dbraw/zinc/72/01/54/562720154.db2.gz GNQXBBBQDNOWTN-UHFFFAOYSA-N 0 0 529.106 4.661 1 0 KJAFRN O=C(C(=O)N1CCCC1)c1cn(CCCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12 ZINC000071410707 562720126 /nfs/dbraw/zinc/72/01/26/562720126.db2.gz AISSUAHBJJMEEM-UHFFFAOYSA-N 0 0 538.648 4.687 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)cnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000071418543 562720242 /nfs/dbraw/zinc/72/02/42/562720242.db2.gz BMFHNHUWMVEAMQ-IIBYNOLFSA-N 0 0 589.569 4.970 1 0 KJAFRN CCCC/C(=C\c1ccc(OC)c(OC)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1 ZINC000071420862 562720213 /nfs/dbraw/zinc/72/02/13/562720213.db2.gz ZVZSRXVKWZRLLU-JGDSNHNJSA-N 0 0 572.702 4.942 1 0 KJAFRN O=S(=O)(NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)c1ccc(Cl)cc1 ZINC000072103077 562720334 /nfs/dbraw/zinc/72/03/34/562720334.db2.gz HQCVVXLNNCYIIC-QFIPXVFZSA-N 0 0 510.969 4.681 1 0 KJAFRN O=S(=O)(NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)c1ccc(Cl)cc1 ZINC000072103078 562720330 /nfs/dbraw/zinc/72/03/30/562720330.db2.gz HQCVVXLNNCYIIC-JOCHJYFZSA-N 0 0 510.969 4.681 1 0 KJAFRN O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103976 562720395 /nfs/dbraw/zinc/72/03/95/562720395.db2.gz AZTXATCQODFCSU-CYXNTTPDSA-N 0 0 523.033 4.744 1 0 KJAFRN O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103977 562720374 /nfs/dbraw/zinc/72/03/74/562720374.db2.gz AZTXATCQODFCSU-NXCFDTQHSA-N 0 0 523.033 4.744 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)c4cccc5ccccc54)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000072104344 562720475 /nfs/dbraw/zinc/72/04/75/562720475.db2.gz WFGUFNWUNQREIZ-UDKTZTBJSA-N 0 0 631.751 4.642 1 0 KJAFRN Cc1c(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072104651 562720553 /nfs/dbraw/zinc/72/05/53/562720553.db2.gz NVCPMQGMUOQYGP-AREMUKBSSA-N 0 0 562.089 4.862 1 0 KJAFRN Cc1c(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072104652 562720536 /nfs/dbraw/zinc/72/05/36/562720536.db2.gz NVCPMQGMUOQYGP-SANMLTNESA-N 0 0 562.089 4.862 1 0 KJAFRN COc1ccc(-n2c(C)c(C(=O)NC[C@@H](O)CN3CCN(c4cccc(Cl)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072104655 562720543 /nfs/dbraw/zinc/72/05/43/562720543.db2.gz LSKLPCRTJAJIMX-AREMUKBSSA-N 0 0 574.125 4.731 1 0 KJAFRN COc1ccc(-n2c(C)c(C(=O)NC[C@H](O)CN3CCN(c4cccc(Cl)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072104656 562720538 /nfs/dbraw/zinc/72/05/38/562720538.db2.gz LSKLPCRTJAJIMX-SANMLTNESA-N 0 0 574.125 4.731 1 0 KJAFRN CCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1 ZINC000072104731 562720609 /nfs/dbraw/zinc/72/06/09/562720609.db2.gz CDUMRTXECVLKGP-UHFFFAOYSA-N 0 0 500.474 4.992 1 0 KJAFRN COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C ZINC000072104740 562720607 /nfs/dbraw/zinc/72/06/07/562720607.db2.gz XDJQMZTWECSFPC-UHFFFAOYSA-N 0 0 516.473 4.747 1 0 KJAFRN COc1ccc(-n2c(C)nc(C(=O)NCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2C)cc1 ZINC000072104830 562720670 /nfs/dbraw/zinc/72/06/70/562720670.db2.gz KLFKNFRLZJDZER-UHFFFAOYSA-N 0 0 516.473 4.747 1 0 KJAFRN CCCc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)cn1-c1ccc(Cl)cc1 ZINC000072105210 562720738 /nfs/dbraw/zinc/72/07/38/562720738.db2.gz JFXAHYFMZDUZMA-FQEVSTJZSA-N 0 0 550.918 4.698 1 0 KJAFRN CCCc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)cn1-c1ccc(Cl)cc1 ZINC000072105211 562720747 /nfs/dbraw/zinc/72/07/47/562720747.db2.gz JFXAHYFMZDUZMA-HXUWFJFHSA-N 0 0 550.918 4.698 1 0 KJAFRN Cc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072105213 562720754 /nfs/dbraw/zinc/72/07/54/562720754.db2.gz WKFAPLKCZNAYLA-UHFFFAOYSA-N 0 0 544.483 4.509 1 0 KJAFRN CCCC[C@H](OC(=O)CN1CCCCC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1 ZINC000072105224 562720736 /nfs/dbraw/zinc/72/07/36/562720736.db2.gz DTGNZUXPKVEXBO-ZOHFHMECSA-N 0 0 567.639 4.504 1 0 KJAFRN CCCC[C@@H](OC(=O)CN1CCCCC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1 ZINC000072105225 562720742 /nfs/dbraw/zinc/72/07/42/562720742.db2.gz DTGNZUXPKVEXBO-QBFYWTLPSA-N 0 0 567.639 4.504 1 0 KJAFRN Cc1ccc(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3ccccc32)cc1C ZINC000072105283 562720759 /nfs/dbraw/zinc/72/07/59/562720759.db2.gz LZOJOAWIQRXZHG-UHFFFAOYSA-N 0 0 502.592 4.661 1 0 KJAFRN Cc1cc(C)cc(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3ccccc32)c1 ZINC000072105956 562720843 /nfs/dbraw/zinc/72/08/43/562720843.db2.gz MZKBXYFWRBGOQG-UHFFFAOYSA-N 0 0 502.592 4.661 1 0 KJAFRN CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC(F)(F)C(F)(F)F)cc2)cc1 ZINC000072106249 562720941 /nfs/dbraw/zinc/72/09/41/562720941.db2.gz OHAZYIUTWZGOTP-KAYWLYCHSA-N 0 0 666.688 4.639 1 0 KJAFRN CCCC[C@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCCO[N+](=O)[O-])cc1 ZINC000072106301 562721003 /nfs/dbraw/zinc/72/10/03/562721003.db2.gz RGCKYOBLAKNOFC-PUCKYXGOSA-N 0 0 569.655 4.750 1 0 KJAFRN CCCC[C@@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCCO[N+](=O)[O-])cc1 ZINC000072106302 562720991 /nfs/dbraw/zinc/72/09/91/562720991.db2.gz RGCKYOBLAKNOFC-IHPPKGGTSA-N 0 0 569.655 4.750 1 0 KJAFRN CCCC[C@H](OC(=O)CN1CCCCC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1OC ZINC000072106327 562720999 /nfs/dbraw/zinc/72/09/99/562720999.db2.gz LDMHISIHPPEFLJ-FPBAGDOUSA-N 0 0 597.665 4.513 1 0 KJAFRN CCCC[C@@H](OC(=O)CN1CCCCC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1OC ZINC000072106328 562721017 /nfs/dbraw/zinc/72/10/17/562721017.db2.gz LDMHISIHPPEFLJ-ZRVKMLQASA-N 0 0 597.665 4.513 1 0 KJAFRN CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000072106365 562721008 /nfs/dbraw/zinc/72/10/08/562721008.db2.gz PAUDOSYOKHGSME-UHFFFAOYSA-N 0 0 519.549 4.717 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc2ccccc2c1C(=O)c1cccc(Cl)c1 ZINC000072106374 562721010 /nfs/dbraw/zinc/72/10/10/562721010.db2.gz IOANDWHTUCDNBM-UHFFFAOYSA-N 0 0 508.983 4.698 1 0 KJAFRN Cc1c(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072106405 562721001 /nfs/dbraw/zinc/72/10/01/562721001.db2.gz YUOKVHDKDPFSMF-AREMUKBSSA-N 0 0 544.099 4.722 1 0 KJAFRN Cc1c(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072106406 562720986 /nfs/dbraw/zinc/72/09/86/562720986.db2.gz YUOKVHDKDPFSMF-SANMLTNESA-N 0 0 544.099 4.722 1 0 KJAFRN Cc1ccc(C)c(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3ccccc32)c1 ZINC000072106468 562721055 /nfs/dbraw/zinc/72/10/55/562721055.db2.gz MHYNUNHOMGTEJF-UHFFFAOYSA-N 0 0 502.592 4.661 1 0 KJAFRN Cc1ccc(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3ccccc32)c(C)c1 ZINC000072106469 562721062 /nfs/dbraw/zinc/72/10/62/562721062.db2.gz KAZORNMOHXHPMT-UHFFFAOYSA-N 0 0 502.592 4.661 1 0 KJAFRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccc(OC(F)(F)F)cc2)nc2sccn21 ZINC000072107684 562721318 /nfs/dbraw/zinc/72/13/18/562721318.db2.gz ZYCDWMMHCIUZOD-UHFFFAOYSA-N 0 0 507.490 4.542 1 0 KJAFRN CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000072108104 562721415 /nfs/dbraw/zinc/72/14/15/562721415.db2.gz YFHWLZDGJOGKAQ-UHFFFAOYSA-N 0 0 503.550 4.838 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc2cc(Br)ccc2c1C(=O)c1ccccc1 ZINC000072108188 562721414 /nfs/dbraw/zinc/72/14/14/562721414.db2.gz PQPFRCFOSNSMNQ-UHFFFAOYSA-N 0 0 553.434 4.807 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc2cc(Br)ccc2c1C(=O)c1cccc(F)c1 ZINC000072108487 562721462 /nfs/dbraw/zinc/72/14/62/562721462.db2.gz ILLUNXMHIUTHDJ-UHFFFAOYSA-N 0 0 571.424 4.946 1 0 KJAFRN COc1cc2c(cc1OCCCOc1ccc(-n3c(C)nc4ccccc4c3=O)cc1)N=C[C@@H]1CCCN1C2=O ZINC000072108765 562721521 /nfs/dbraw/zinc/72/15/21/562721521.db2.gz FSYPDICOYTWVHO-QFIPXVFZSA-N 0 0 538.604 4.871 1 0 KJAFRN CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCN2CCCC2=O)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072109931 562721675 /nfs/dbraw/zinc/72/16/75/562721675.db2.gz ZBZJWZAAYHXCAJ-UHFFFAOYSA-N 0 0 688.757 4.945 1 0 KJAFRN CC(=O)Nc1ccc(COc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2C=C2SC(=O)NC2=O)cc1 ZINC000072110318 562721796 /nfs/dbraw/zinc/72/17/96/562721796.db2.gz AMHRMJKARDJAOI-CFRMEGHHSA-N 0 0 538.603 4.624 1 0 KJAFRN CCc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OC)cc1 ZINC000072110325 562721793 /nfs/dbraw/zinc/72/17/93/562721793.db2.gz GRBOPCPDWXEHRB-UHFFFAOYSA-N 0 0 514.417 4.606 1 0 KJAFRN CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000072110344 562721780 /nfs/dbraw/zinc/72/17/80/562721780.db2.gz NQNWJSGCFKHRLI-LOYHVIPDSA-N 0 0 591.749 4.970 1 0 KJAFRN CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCn2ccnn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110433 562721811 /nfs/dbraw/zinc/72/18/11/562721811.db2.gz VNISZKLRKNEAMG-UHFFFAOYSA-N 0 0 672.718 4.614 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000072110867 562721840 /nfs/dbraw/zinc/72/18/40/562721840.db2.gz OMWSVMYNGBKYCC-JOCHJYFZSA-N 0 0 529.829 4.702 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000072110868 562721850 /nfs/dbraw/zinc/72/18/50/562721850.db2.gz OMWSVMYNGBKYCC-QFIPXVFZSA-N 0 0 529.829 4.702 1 0 KJAFRN COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(-c5ccccc5)c5ccccc54)cc3F)CC2)on1 ZINC000072110919 562721891 /nfs/dbraw/zinc/72/18/91/562721891.db2.gz ZEJDZXZRVDXCJA-GOSISDBHSA-N 0 0 539.567 4.968 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@H](O)c1ccc(Cl)cc1Cl ZINC000072111108 562721872 /nfs/dbraw/zinc/72/18/72/562721872.db2.gz KFVJKBGRJCHMBQ-JOCHJYFZSA-N 0 0 529.829 4.702 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@@H](O)c1ccc(Cl)cc1Cl ZINC000072111110 562721881 /nfs/dbraw/zinc/72/18/81/562721881.db2.gz KFVJKBGRJCHMBQ-QFIPXVFZSA-N 0 0 529.829 4.702 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@H](O)c1cc(Cl)ccc1Cl ZINC000072111111 562721874 /nfs/dbraw/zinc/72/18/74/562721874.db2.gz XQYYJANYRMFRBX-JOCHJYFZSA-N 0 0 529.829 4.702 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@@H](O)c1cc(Cl)ccc1Cl ZINC000072111113 562721890 /nfs/dbraw/zinc/72/18/90/562721890.db2.gz XQYYJANYRMFRBX-QFIPXVFZSA-N 0 0 529.829 4.702 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000072111115 562721894 /nfs/dbraw/zinc/72/18/94/562721894.db2.gz LLCBJLUJVUMBTA-JOCHJYFZSA-N 0 0 529.829 4.702 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000072111116 562721882 /nfs/dbraw/zinc/72/18/82/562721882.db2.gz LLCBJLUJVUMBTA-QFIPXVFZSA-N 0 0 529.829 4.702 1 0 KJAFRN CCOC(=O)c1ccc(-c2c(CC)c(C(=O)NC(C)(C)c3nnnn3C)nn2-c2ccc(Cl)cc2Cl)cc1 ZINC000072111174 562721952 /nfs/dbraw/zinc/72/19/52/562721952.db2.gz NCYJNUXJQFKCNT-UHFFFAOYSA-N 0 0 556.454 4.774 1 0 KJAFRN CCOC(=O)COc1ccc(-c2c(CC)c(C(=O)NC(C)(C)c3nnnn3C)nn2-c2ccc(Cl)cc2Cl)cc1 ZINC000072111245 562721928 /nfs/dbraw/zinc/72/19/28/562721928.db2.gz HKOVLGWNWHBSBF-UHFFFAOYSA-N 0 0 586.480 4.539 1 0 KJAFRN CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C ZINC000072111331 562721944 /nfs/dbraw/zinc/72/19/44/562721944.db2.gz JFTTWRHSUYMBCX-UHFFFAOYSA-N 0 0 502.497 4.828 1 0 KJAFRN Cc1c(C(=O)NC(C)(C)c2nnn(C)n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072111408 562721948 /nfs/dbraw/zinc/72/19/48/562721948.db2.gz ROPKCECBRJJLAV-UHFFFAOYSA-N 0 0 504.809 4.997 1 0 KJAFRN COc1ccc2c(c1)CCCc1c(C(=O)NC(C)(C)c3nnnn3C)nn(-c3ccc(Cl)cc3Cl)c1-2 ZINC000072111981 562721987 /nfs/dbraw/zinc/72/19/87/562721987.db2.gz ITVPQNHJKQZCTG-UHFFFAOYSA-N 0 0 526.428 4.532 1 0 KJAFRN Cc1c(C(=O)NC(C)(C)c2nnnn2C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000072112260 562722072 /nfs/dbraw/zinc/72/20/72/562722072.db2.gz KHNLLEAMXADDGH-UHFFFAOYSA-N 0 0 504.809 4.997 1 0 KJAFRN Cc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072112519 562722139 /nfs/dbraw/zinc/72/21/39/562722139.db2.gz IFSKMACZRZQKLF-UHFFFAOYSA-N 0 0 504.809 4.997 1 0 KJAFRN CC(=O)NCCN(C)c1cccc(OCCCCCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1 ZINC000072112661 562722174 /nfs/dbraw/zinc/72/21/74/562722174.db2.gz HSKFGVAUVAZJHU-UHFFFAOYSA-N 0 0 526.722 4.630 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@H](O)c1cc(Cl)cc(Br)c1 ZINC000072112713 562722152 /nfs/dbraw/zinc/72/21/52/562722152.db2.gz DVEOZGBQXICQNZ-JOCHJYFZSA-N 0 0 574.280 4.811 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@@H](O)c1cc(Cl)cc(Br)c1 ZINC000072112714 562722176 /nfs/dbraw/zinc/72/21/76/562722176.db2.gz DVEOZGBQXICQNZ-QFIPXVFZSA-N 0 0 574.280 4.811 1 0 KJAFRN CCCCn1cc(CCCCOc2ccc(CN3CCN(c4ccccc4OC)CC3)cc2OC)nn1 ZINC000072112780 562722200 /nfs/dbraw/zinc/72/22/00/562722200.db2.gz SVCSCOQWJKNMQT-UHFFFAOYSA-N 0 0 507.679 4.819 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@H](O)c1cccc2ccccc21 ZINC000072113188 562722280 /nfs/dbraw/zinc/72/22/80/562722280.db2.gz LTGZSAWXXWBLBY-AREMUKBSSA-N 0 0 510.999 4.548 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@@H](O)c1cccc2ccccc21 ZINC000072113189 562722270 /nfs/dbraw/zinc/72/22/70/562722270.db2.gz LTGZSAWXXWBLBY-SANMLTNESA-N 0 0 510.999 4.548 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@H](O)c1ccc2ccccc2c1 ZINC000072113190 562722294 /nfs/dbraw/zinc/72/22/94/562722294.db2.gz CDDAWWLNKMSSIE-AREMUKBSSA-N 0 0 510.999 4.548 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1[C@@H](O)c1ccc2ccccc2c1 ZINC000072113191 562722298 /nfs/dbraw/zinc/72/22/98/562722298.db2.gz CDDAWWLNKMSSIE-SANMLTNESA-N 0 0 510.999 4.548 1 0 KJAFRN CC[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)CC[C@H]1O ZINC000072113415 562722375 /nfs/dbraw/zinc/72/23/75/562722375.db2.gz IYPOWHGQLJLYRT-JBOMQSBKSA-N 0 0 502.692 4.905 1 0 KJAFRN COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccc(Oc5ccccc5)cc4)cc3c2=O)CC1 ZINC000072113547 562722407 /nfs/dbraw/zinc/72/24/07/562722407.db2.gz FWMFZQATXSJORR-UHFFFAOYSA-N 0 0 537.620 4.720 1 0 KJAFRN COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccc(-c5ccccc5)cc4)cc3c2=O)CC1 ZINC000072113612 562722423 /nfs/dbraw/zinc/72/24/23/562722423.db2.gz VKRWXXAYRDSBJA-UHFFFAOYSA-N 0 0 521.621 4.595 1 0 KJAFRN COc1ccc(-c2cc3c([nH]2)n(Cc2ccccc2OC)c(=O)n(CCN2CCN(c4ccccc4Cl)CC2)c3=O)cc1 ZINC000072113706 562722454 /nfs/dbraw/zinc/72/24/54/562722454.db2.gz SSDZREHTUPIFSA-UHFFFAOYSA-N 0 0 600.119 4.699 1 0 KJAFRN O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1Cc1ccccn1 ZINC000072113819 562722525 /nfs/dbraw/zinc/72/25/25/562722525.db2.gz ICFGPAGDXKNRII-UHFFFAOYSA-N 0 0 553.830 4.928 1 0 KJAFRN O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1CCc1ccccn1 ZINC000072113820 562722512 /nfs/dbraw/zinc/72/25/12/562722512.db2.gz RPJPWDVVWYLNSM-UHFFFAOYSA-N 0 0 567.857 4.970 1 0 KJAFRN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072113956 562722518 /nfs/dbraw/zinc/72/25/18/562722518.db2.gz YVZKCXZBMGVKAJ-UZGAGFRRSA-N 0 0 641.492 4.820 1 0 KJAFRN O=C(/C=C/c1cccc(Br)c1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072113957 562722521 /nfs/dbraw/zinc/72/25/21/562722521.db2.gz YVZKCXZBMGVKAJ-OBBFJSJASA-N 0 0 641.492 4.820 1 0 KJAFRN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072113958 562722500 /nfs/dbraw/zinc/72/25/00/562722500.db2.gz SUOGUNSODPDWSP-RLDRVVDPSA-N 0 0 641.492 4.820 1 0 KJAFRN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072113959 562722509 /nfs/dbraw/zinc/72/25/09/562722509.db2.gz SUOGUNSODPDWSP-ZKBJDZFASA-N 0 0 641.492 4.820 1 0 KJAFRN C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2cccs2)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000072113961 562722517 /nfs/dbraw/zinc/72/25/17/562722517.db2.gz BEHKPOBKQGEBBQ-GHZJTUCKSA-N 0 0 650.650 4.704 1 0 KJAFRN OC1COc2ccccc2CNn2c(nnc2-c2cccnc2)SCCCSc2nnc(-c3cccnc3)n2NCc2ccccc2OC1 ZINC000072113980 562722547 /nfs/dbraw/zinc/72/25/47/562722547.db2.gz OMQVQOAZARCFOG-UHFFFAOYSA-N 0 0 694.847 4.888 1 0 KJAFRN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000072114030 562722657 /nfs/dbraw/zinc/72/26/57/562722657.db2.gz DSSUSUBIJQZBGY-UHFFFAOYSA-N 0 0 683.875 4.549 1 0 KJAFRN COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccccc4)c(-c4ccccc4)c3c2=O)CC1 ZINC000072114318 562722664 /nfs/dbraw/zinc/72/26/64/562722664.db2.gz XUHINFLVZNNVDQ-UHFFFAOYSA-N 0 0 521.621 4.595 1 0 KJAFRN C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCNS(N)(=O)=O)(c2ccc(F)cc2)OC1=O ZINC000072114381 562722701 /nfs/dbraw/zinc/72/27/01/562722701.db2.gz JYUZCHJMXCOJJR-MRDQGFSESA-N 0 0 533.572 4.753 1 0 KJAFRN COc1cc(C2=C(c3ccc(Br)cc3)COC2=O)ccc1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072114583 562722736 /nfs/dbraw/zinc/72/27/36/562722736.db2.gz QGZKZCKRNULJND-NDEPHWFRSA-N 0 0 598.400 4.762 1 0 KJAFRN COc1cc(C2=C(c3ccc(Br)cc3)COC2=O)ccc1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072114584 562722752 /nfs/dbraw/zinc/72/27/52/562722752.db2.gz QGZKZCKRNULJND-MUUNZHRXSA-N 0 0 598.400 4.762 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nc4ccccc4c(=O)n3Cc3ccccc3)cc2)CC1 ZINC000072114758 562722772 /nfs/dbraw/zinc/72/27/72/562722772.db2.gz ZAYNBLWWRTZFQR-UHFFFAOYSA-N 0 0 524.621 4.805 1 0 KJAFRN C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccsc2)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000072115249 562722899 /nfs/dbraw/zinc/72/28/99/562722899.db2.gz ZQBUWQPJHPZGFT-RCMOLBHDSA-N 0 0 650.650 4.704 1 0 KJAFRN O=C1OCC(c2ccc(Br)cc2)=C1c1ccc(OC[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000072116250 562723052 /nfs/dbraw/zinc/72/30/52/562723052.db2.gz XWRKNOXMRXKRRC-MHZLTWQESA-N 0 0 568.374 4.753 1 0 KJAFRN O=C1OCC(c2ccc(Br)cc2)=C1c1ccc(OC[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000072116251 562723073 /nfs/dbraw/zinc/72/30/73/562723073.db2.gz XWRKNOXMRXKRRC-HHHXNRCGSA-N 0 0 568.374 4.753 1 0 KJAFRN COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc3c2=O)CC1 ZINC000072116424 562723120 /nfs/dbraw/zinc/72/31/20/562723120.db2.gz HCXQFLAZMPDFTD-UHFFFAOYSA-N 0 0 551.647 4.507 1 0 KJAFRN O=c1c2cc(-c3ccccc3)[nH]c2n(Cc2ccccc2)c(=O)n1CCN1CCN(c2ccccc2Cl)CC1 ZINC000072116428 562723117 /nfs/dbraw/zinc/72/31/17/562723117.db2.gz RJSCVVWQQSBNTG-UHFFFAOYSA-N 0 0 540.067 4.682 1 0 KJAFRN CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000072116849 562723271 /nfs/dbraw/zinc/72/32/71/562723271.db2.gz QBDBQEXTVSAIDK-AHWVRZQESA-N 0 0 519.642 4.612 1 0 KJAFRN CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1OCC(C)C ZINC000072116850 562723259 /nfs/dbraw/zinc/72/32/59/562723259.db2.gz BQJOUBDALVDAJH-BYGVMDBSSA-N 0 0 519.642 4.612 1 0 KJAFRN CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000072116892 562723310 /nfs/dbraw/zinc/72/33/10/562723310.db2.gz DZKRAJBFWPPUQU-YTMVLYRLSA-N 0 0 553.659 4.809 1 0 KJAFRN CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000072116898 562723306 /nfs/dbraw/zinc/72/33/06/562723306.db2.gz QWJOHDYEBCTBII-YTMVLYRLSA-N 0 0 569.658 4.514 1 0 KJAFRN C[C@H]1OC(=O)C(c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)=C1c1ccc(F)cc1F ZINC000072116966 562723300 /nfs/dbraw/zinc/72/33/00/562723300.db2.gz QKMPDHUNCKWZGL-HJWYETAXSA-N 0 0 539.485 4.657 1 0 KJAFRN C[C@@H]1OC(=O)C(c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)=C1c1ccc(F)cc1F ZINC000072116967 562723296 /nfs/dbraw/zinc/72/32/96/562723296.db2.gz QKMPDHUNCKWZGL-OLRZCDJHSA-N 0 0 539.485 4.657 1 0 KJAFRN C[C@H]1OC(=O)C(c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)=C1c1ccc(F)cc1F ZINC000072116968 562723284 /nfs/dbraw/zinc/72/32/84/562723284.db2.gz QKMPDHUNCKWZGL-WVDZOPJMSA-N 0 0 539.485 4.657 1 0 KJAFRN C[C@@H]1OC(=O)C(c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)=C1c1ccc(F)cc1F ZINC000072116969 562723321 /nfs/dbraw/zinc/72/33/21/562723321.db2.gz QKMPDHUNCKWZGL-DEXQXJORSA-N 0 0 539.485 4.657 1 0 KJAFRN COc1ccc(C[C@H]([NH3+])C(=O)Nc2ccc(C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])cc2OCC(C)C)cc1 ZINC000072116988 562723297 /nfs/dbraw/zinc/72/32/97/562723297.db2.gz LTVYEXGZSDEBGV-JDXGNMNLSA-N 0 0 583.685 4.817 1 0 KJAFRN COc1ccc(C[C@H]([NH3+])C(=O)Nc2ccc(C(=O)N[C@@H](CCc3ccccc3)C(=O)[O-])cc2OCc2ccccc2)cc1 ZINC000072117017 562723354 /nfs/dbraw/zinc/72/33/54/562723354.db2.gz CDNLQZFVXXPENU-JDXGNMNLSA-N 0 0 581.669 4.599 1 0 KJAFRN COc1cc(C(=C2O[C@@H]([C@H]3COC(C)(C)O3)[C@H]3OC(C)(C)O[C@@H]23)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000072117025 562723340 /nfs/dbraw/zinc/72/33/40/562723340.db2.gz XLRUQICJJCUMAF-QMJZHUEDSA-N 0 0 588.650 4.568 1 0 KJAFRN CSCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118111 562723405 /nfs/dbraw/zinc/72/34/05/562723405.db2.gz SWGKMNAVUISAJO-ZCYQVOJMSA-N 0 0 570.111 4.754 1 0 KJAFRN CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000072118189 562723451 /nfs/dbraw/zinc/72/34/51/562723451.db2.gz GTOIMOPANPYDSA-OAQYLSRUSA-N 0 0 507.377 4.791 1 0 KJAFRN CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000072118190 562723472 /nfs/dbraw/zinc/72/34/72/562723472.db2.gz GTOIMOPANPYDSA-NRFANRHFSA-N 0 0 507.377 4.791 1 0 KJAFRN CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(Cl)cc1Cl)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118191 562723443 /nfs/dbraw/zinc/72/34/43/562723443.db2.gz RWRMIXMAOHDQAH-OAQYLSRUSA-N 0 0 507.377 4.791 1 0 KJAFRN CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccc(Cl)cc1Cl)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118192 562723459 /nfs/dbraw/zinc/72/34/59/562723459.db2.gz RWRMIXMAOHDQAH-NRFANRHFSA-N 0 0 507.377 4.791 1 0 KJAFRN CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118197 562723432 /nfs/dbraw/zinc/72/34/32/562723432.db2.gz MHSGFKIRLIMPAX-AHWVRZQESA-N 0 0 538.044 4.657 1 0 KJAFRN [NH3+][C@@H](CCc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1 ZINC000072118327 562723482 /nfs/dbraw/zinc/72/34/82/562723482.db2.gz DJRRIQSVNSFPJI-JDXGNMNLSA-N 0 0 565.670 4.980 1 0 KJAFRN O=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccc(Cl)c(Cl)c1 ZINC000072118357 562723515 /nfs/dbraw/zinc/72/35/15/562723515.db2.gz GXACUOVCWNAQJM-UHFFFAOYSA-N 0 0 506.455 4.687 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCC(=O)OC(C)C)CC2 ZINC000072118422 562723554 /nfs/dbraw/zinc/72/35/54/562723554.db2.gz GNOMFAXWDWSQJM-QFIPXVFZSA-N 0 0 541.641 4.754 1 0 KJAFRN CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCNC(C)=O)C(=O)c1ccc(C)cc1 ZINC000072118498 562723552 /nfs/dbraw/zinc/72/35/52/562723552.db2.gz DAUZHEADUMNYDL-VWLOTQADSA-N 0 0 516.667 4.934 1 0 KJAFRN CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCNC(C)=O)C(=O)c1ccc(C)cc1 ZINC000072118499 562723523 /nfs/dbraw/zinc/72/35/23/562723523.db2.gz DAUZHEADUMNYDL-RUZDIDTESA-N 0 0 516.667 4.934 1 0 KJAFRN [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1 ZINC000072118505 562723529 /nfs/dbraw/zinc/72/35/29/562723529.db2.gz MMSXGORDRWSTIU-YTMVLYRLSA-N 0 0 551.643 4.590 1 0 KJAFRN CC(=O)O[C@@H]1[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@@H](OC(=O)c2ccoc2)[C@@H]1OC(C)=O)C(C)(C)O3 ZINC000072118544 562723560 /nfs/dbraw/zinc/72/35/60/562723560.db2.gz IXQAMDNZYHTXQB-PEXYCDPUSA-N 0 0 568.619 4.508 1 0 KJAFRN CC(=O)O[C@@H]1C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3 ZINC000072118547 562723601 /nfs/dbraw/zinc/72/36/01/562723601.db2.gz HJXBCJUBOCBSHO-HUDRDOLLSA-N 0 0 510.583 4.966 1 0 KJAFRN COC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2cccc3c4ccccc4oc32)[C@H](O)[C@@H]1O)Oc1ccccc1 ZINC000072119037 562723752 /nfs/dbraw/zinc/72/37/52/562723752.db2.gz DBLFBJZCGCZMKR-QPBDGZJOSA-N 0 0 658.604 4.972 1 0 KJAFRN COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2cccc3c4ccccc4oc32)[C@H](O)[C@@H]1O)Oc1ccccc1 ZINC000072119038 562723750 /nfs/dbraw/zinc/72/37/50/562723750.db2.gz DBLFBJZCGCZMKR-SECMKGQXSA-N 0 0 658.604 4.972 1 0 KJAFRN C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccccc2)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000072119057 562723804 /nfs/dbraw/zinc/72/38/04/562723804.db2.gz CKJPAYHPSZUYRZ-JBTFBIOWSA-N 0 0 644.621 4.643 1 0 KJAFRN CCOC(=O)c1ccc2c(c1)-n1c(-c3ccccc3)c3c(c1[C@H](c1ccc(Br)o1)O2)n(C)c(=O)n(C)c3=O ZINC000072119604 562723836 /nfs/dbraw/zinc/72/38/36/562723836.db2.gz IQTUORHYHHBSMV-VWLOTQADSA-N 0 0 576.403 4.709 1 0 KJAFRN COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072119726 562723851 /nfs/dbraw/zinc/72/38/51/562723851.db2.gz MICCXIIKRGBZEF-KAYWLYCHSA-N 0 0 505.665 4.898 1 0 KJAFRN COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072119727 562723871 /nfs/dbraw/zinc/72/38/71/562723871.db2.gz MICCXIIKRGBZEF-RRPNLBNLSA-N 0 0 505.665 4.898 1 0 KJAFRN COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072119728 562723874 /nfs/dbraw/zinc/72/38/74/562723874.db2.gz MICCXIIKRGBZEF-SXOMAYOGSA-N 0 0 505.665 4.898 1 0 KJAFRN COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072119729 562723876 /nfs/dbraw/zinc/72/38/76/562723876.db2.gz MICCXIIKRGBZEF-SVBPBHIXSA-N 0 0 505.665 4.898 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12C)[C@H]3OC(=O)c1ccccc1 ZINC000072120026 562723956 /nfs/dbraw/zinc/72/39/56/562723956.db2.gz YFRPRSJNPDRRQZ-QXIWUYFJSA-N 0 0 646.689 4.916 1 0 KJAFRN [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072120028 562723957 /nfs/dbraw/zinc/72/39/57/562723957.db2.gz JJWVRYILQJZGST-YTMVLYRLSA-N 0 0 602.087 4.949 1 0 KJAFRN COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2C[C@H](OC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000072120304 562723989 /nfs/dbraw/zinc/72/39/89/562723989.db2.gz SZLZWPPUNLXJEA-IKKROOSDSA-N 0 0 634.726 4.571 1 0 KJAFRN COC(=O)c1ccc(NC(=O)CSc2ncnn2-c2ccc(Cl)cc2Cl)c(Br)c1 ZINC000072120358 562724070 /nfs/dbraw/zinc/72/40/70/562724070.db2.gz RDBPABJTWKETEE-UHFFFAOYSA-N 0 0 516.204 4.854 1 0 KJAFRN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2ccc(Br)o2)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000072120451 562724053 /nfs/dbraw/zinc/72/40/53/562724053.db2.gz LOMINHCQXDRUSO-FQEVSTJZSA-N 0 0 503.356 4.565 1 0 KJAFRN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2ccc(Br)o2)Nc2ccccc2-3)c(=O)n(C)c1=O ZINC000072120452 562724068 /nfs/dbraw/zinc/72/40/68/562724068.db2.gz LOMINHCQXDRUSO-HXUWFJFHSA-N 0 0 503.356 4.565 1 0 KJAFRN C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(I)ccc32)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000072120486 562724054 /nfs/dbraw/zinc/72/40/54/562724054.db2.gz XLDJHBUXULKFIC-KRWDZBQOSA-N 0 0 554.432 4.543 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)Oc2c(NC(=O)Nc3cccc(Cl)c3Cl)cccc2C1=O ZINC000072120564 562724089 /nfs/dbraw/zinc/72/40/89/562724089.db2.gz MIKGWSJQJAMZML-RYTUXRKISA-N 0 0 693.606 4.949 1 0 KJAFRN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2ccc(Br)o2)Oc2ccccc2-3)c(=O)n(C)c1=O ZINC000072120639 562724157 /nfs/dbraw/zinc/72/41/57/562724157.db2.gz ABSSHLAHTVFMGJ-QHCPKHFHSA-N 0 0 504.340 4.532 1 0 KJAFRN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2ccc(Br)o2)Oc2ccccc2-3)c(=O)n(C)c1=O ZINC000072120640 562724165 /nfs/dbraw/zinc/72/41/65/562724165.db2.gz ABSSHLAHTVFMGJ-HSZRJFAPSA-N 0 0 504.340 4.532 1 0 KJAFRN O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)nn2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000072120645 562724143 /nfs/dbraw/zinc/72/41/43/562724143.db2.gz SVRVXCGGIUWYAY-UHFFFAOYSA-N 0 0 558.948 4.512 1 0 KJAFRN COCCCn1cc(CN2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cn1 ZINC000072121219 562724155 /nfs/dbraw/zinc/72/41/55/562724155.db2.gz RVOFQQGTWUOYIF-UHFFFAOYSA-N 0 0 698.203 4.732 1 0 KJAFRN CCOC(=O)C1CCN(C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(Cl)nn3)n2)CC1 ZINC000072121312 562724171 /nfs/dbraw/zinc/72/41/71/562724171.db2.gz QUBIUNUTMJDDEL-UHFFFAOYSA-N 0 0 535.954 4.736 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000072121478 562724268 /nfs/dbraw/zinc/72/42/68/562724268.db2.gz BEAVLKOOAHBOFD-XASJVRKQSA-N 0 0 660.749 4.753 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cnc2ccccc2c1 ZINC000072122035 562724330 /nfs/dbraw/zinc/72/43/30/562724330.db2.gz BWVJKDFOYXQRRJ-VWLOTQADSA-N 0 0 505.622 4.556 1 0 KJAFRN CCn1cc(CN2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cn1 ZINC000072122177 562724483 /nfs/dbraw/zinc/72/44/83/562724483.db2.gz PDTASMQWNXCFCF-UHFFFAOYSA-N 0 0 654.150 4.715 1 0 KJAFRN C[C@@H]1CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CCN1Cc1cnn(C)c1 ZINC000072122184 562724494 /nfs/dbraw/zinc/72/44/94/562724494.db2.gz RGKGYCJQMZSRIW-HXUWFJFHSA-N 0 0 654.150 4.621 1 0 KJAFRN C[C@H]1CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CCN1Cc1cnn(C)c1 ZINC000072122185 562724556 /nfs/dbraw/zinc/72/45/56/562724556.db2.gz RGKGYCJQMZSRIW-FQEVSTJZSA-N 0 0 654.150 4.621 1 0 KJAFRN O=C1OCCN1c1ccc([C@H]2C[C@@H]3c4c[nH]nc4C[C@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000072122787 562724645 /nfs/dbraw/zinc/72/46/45/562724645.db2.gz HIRONKBRYBENQL-BVZALQNUSA-N 0 0 532.544 4.619 1 0 KJAFRN O=C1OCCN1c1ccc([C@@H]2C[C@@H]3c4c[nH]nc4C[C@H](C2)N3S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000072122788 562724617 /nfs/dbraw/zinc/72/46/17/562724617.db2.gz HIRONKBRYBENQL-BTCOZLQPSA-N 0 0 532.544 4.619 1 0 KJAFRN COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000072123049 562724668 /nfs/dbraw/zinc/72/46/68/562724668.db2.gz NIUNBQRAFVYWBM-UHFFFAOYSA-N 0 0 530.400 4.995 1 0 KJAFRN 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USNNSMZJFMCETF-UHFFFAOYSA-N 0 0 500.374 4.986 1 0 KJAFRN CS(=O)(=O)c1ccc(-c2noc([C@@H]3CCN(CCC(=O)N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)C(=O)C3)n2)cc1 ZINC000072123659 562724845 /nfs/dbraw/zinc/72/48/45/562724845.db2.gz MTNMGHIYEXCPKP-HXOBKFHXSA-N 0 0 631.542 4.783 1 0 KJAFRN CS(=O)(=O)c1ccc(-c2noc([C@H]3CCN(CCC(=O)N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)C(=O)C3)n2)cc1 ZINC000072123660 562724809 /nfs/dbraw/zinc/72/48/09/562724809.db2.gz MTNMGHIYEXCPKP-SBUREZEXSA-N 0 0 631.542 4.783 1 0 KJAFRN Cc1nn(C)cc1CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC1 ZINC000072123727 562724939 /nfs/dbraw/zinc/72/49/39/562724939.db2.gz PBIWOIYTMAPOIG-UHFFFAOYSA-N 0 0 654.150 4.541 1 0 KJAFRN Cc1c(CN2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cnn1C ZINC000072123728 562724930 /nfs/dbraw/zinc/72/49/30/562724930.db2.gz AXEFUXRYGBWMKE-UHFFFAOYSA-N 0 0 654.150 4.541 1 0 KJAFRN CCOC(=O)CCn1cc(CN2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cn1 ZINC000072123731 562724907 /nfs/dbraw/zinc/72/49/07/562724907.db2.gz ZSDKMPLTYNOIQU-UHFFFAOYSA-N 0 0 726.213 4.649 1 0 KJAFRN C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3NCc2ccccc2)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCC(C)(C)C ZINC000072124376 562725066 /nfs/dbraw/zinc/72/50/66/562725066.db2.gz DXNMEQHRFQFFFY-CWNIULSLSA-N 0 0 733.763 4.954 1 0 KJAFRN C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3NCc2ccccc2)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCC(C)(C)C ZINC000072124377 562725072 /nfs/dbraw/zinc/72/50/72/562725072.db2.gz DXNMEQHRFQFFFY-VQZNEEITSA-N 0 0 733.763 4.954 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2cncc(F)c2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072126856 562725462 /nfs/dbraw/zinc/72/54/62/562725462.db2.gz BOARCKQGDXYXGL-IJLINHMISA-N 0 0 721.871 4.935 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2ccc(F)nc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072126863 562725503 /nfs/dbraw/zinc/72/55/03/562725503.db2.gz NHZBFJRHCSEORK-AYJHKEKYSA-N 0 0 721.871 4.935 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2cccnc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072126894 562725536 /nfs/dbraw/zinc/72/55/36/562725536.db2.gz FOEFFFBPEIGFEX-IJLINHMISA-N 0 0 703.881 4.796 1 0 in-vitro KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2ccncc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072126901 562725559 /nfs/dbraw/zinc/72/55/59/562725559.db2.gz QDDKSTJOGMCSFX-IJLINHMISA-N 0 0 703.881 4.796 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)cc1 ZINC000072127064 562725700 /nfs/dbraw/zinc/72/57/00/562725700.db2.gz INLFGSQDAXWGFZ-LOSJGSFVSA-N 0 0 633.561 4.866 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2ccnc(F)c2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072127537 562725705 /nfs/dbraw/zinc/72/57/05/562725705.db2.gz JLHVGPPKSGIYBQ-AYJHKEKYSA-N 0 0 721.871 4.935 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2cccc(N)c2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072127564 562725714 /nfs/dbraw/zinc/72/57/14/562725714.db2.gz IFFXETQUAJIWTG-KSVMHDQPSA-N 0 0 717.908 4.983 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072127791 562725932 /nfs/dbraw/zinc/72/59/32/562725932.db2.gz OJQCWIJULNAPLC-VYIXFUBHSA-N 0 0 703.881 4.796 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2cccc(CO)c2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072127889 562725947 /nfs/dbraw/zinc/72/59/47/562725947.db2.gz AFPKMNHOXJFWKR-ABANCFTRSA-N 0 0 732.919 4.893 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2ccc(N)cc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072127915 562725940 /nfs/dbraw/zinc/72/59/40/562725940.db2.gz DKRYKTPRDSFIOI-KSVMHDQPSA-N 0 0 717.908 4.983 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2ccc(CO)cc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ZINC000072127978 562726027 /nfs/dbraw/zinc/72/60/27/562726027.db2.gz IGFSOVJRAURHHV-ABANCFTRSA-N 0 0 732.919 4.893 1 0 KJAFRN CC[C@H](CO)Nc1nc2c(ncn2C(C)C)c(Nc2ccc(C(=O)NCCNS(=O)(=O)c3cccc4c3cccc4N(C)C)c(Cl)c2)n1 ZINC000072129841 562726481 /nfs/dbraw/zinc/72/64/81/562726481.db2.gz JABARHGOSMRFSR-OAQYLSRUSA-N 0 0 694.262 4.915 1 0 KJAFRN C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000072129931 562726638 /nfs/dbraw/zinc/72/66/38/562726638.db2.gz PWHMXYJBGYEDHW-RWGHOPJMSA-N 0 0 630.786 4.939 1 0 in-vitro KJAFRN Cc1cc(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)nc(NCCCN2CCOCC2)[nH+]1 ZINC000072132789 562726829 /nfs/dbraw/zinc/72/68/29/562726829.db2.gz FOELFLIASSRSAU-UHFFFAOYSA-N 0 0 701.697 4.604 1 0 KJAFRN CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NCc2ccccc2)c2ccccc2)C(C)(C)C)CSC1(C)C ZINC000072132803 562726901 /nfs/dbraw/zinc/72/69/01/562726901.db2.gz XVWYVCPHOAYZCM-ABANCFTRSA-N 0 0 744.015 4.979 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(Cc2cccc(N3CC(=O)N4[C@H](Cc5c6ccccc6[nH]c5[C@H]4c4ccc5c(c4)OCO5)C3=O)c2)CC1 ZINC000072132860 562726968 /nfs/dbraw/zinc/72/69/68/562726968.db2.gz UUEDJRCLICHXMW-ANHUGMMASA-N 0 0 649.748 4.839 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(c2ccc(N3CC(=O)N4[C@H](Cc5c6ccccc6[nH]c5[C@H]4c4ccc5c(c4)OCO5)C3=O)cc2)CC1 ZINC000072132861 562726946 /nfs/dbraw/zinc/72/69/46/562726946.db2.gz RCTXMFIXCZDBNE-LHXZUMEBSA-N 0 0 635.721 4.843 1 0 KJAFRN CCOP(=O)(OCC)C(F)(F)c1ccc(/C(C)=C/C(=O)N[C@H]2CCc3cccc4c3N(C2=O)[C@H](C(=O)N[C@H](C)CCC(N)=O)C4)cc1 ZINC000072133966 562727065 /nfs/dbraw/zinc/72/70/65/562727065.db2.gz PSDNNVSVNUVLPG-IURGUFOQSA-N 0 0 674.682 4.564 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc3c(c2)OCC3)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000072135074 562727485 /nfs/dbraw/zinc/72/74/85/562727485.db2.gz YMNFGPRESUMVAY-MODXFSQWSA-N 0 0 658.777 4.960 1 0 KJAFRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCO[C@H](Cc6ccccc6)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135665 562727510 /nfs/dbraw/zinc/72/75/10/562727510.db2.gz QPYXJPUFHQIYLZ-UDMKUIBPSA-N 0 0 507.715 4.696 1 0 KJAFRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCO[C@@H](Cc6ccccc6)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135720 562727532 /nfs/dbraw/zinc/72/75/32/562727532.db2.gz QPYXJPUFHQIYLZ-DSDZPPQHSA-N 0 0 507.715 4.696 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000072135770 562727557 /nfs/dbraw/zinc/72/75/57/562727557.db2.gz NKHCTIRKNVNUBN-BUEREQSYSA-N 0 0 605.679 4.858 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000072136033 562727715 /nfs/dbraw/zinc/72/77/15/562727715.db2.gz OZYYCECXSZQYIA-MVYHEMRASA-N 0 0 619.115 4.664 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000072136095 562727735 /nfs/dbraw/zinc/72/77/35/562727735.db2.gz PDVAGQQXNQUIFZ-GOHWNWGWSA-N 0 0 601.125 4.525 1 0 KJAFRN CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000072136117 562727725 /nfs/dbraw/zinc/72/77/25/562727725.db2.gz WXXNFACMBMUTRV-DSNGMDLFSA-N 0 0 511.022 4.744 1 0 KJAFRN O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136491 562728025 /nfs/dbraw/zinc/72/80/25/562728025.db2.gz XTVGMFVZOGSPBB-SDHSZQHLSA-N 0 0 509.031 4.899 1 0 KJAFRN O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136492 562728019 /nfs/dbraw/zinc/72/80/19/562728019.db2.gz XTVGMFVZOGSPBB-GVAUOCQISA-N 0 0 509.031 4.899 1 0 KJAFRN O=C(OCc1cn([C@@H]2CN(Cc3cccs3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072136953 562728208 /nfs/dbraw/zinc/72/82/08/562728208.db2.gz FUXCQDIAOOJVLO-GVAUOCQISA-N 0 0 509.031 4.899 1 0 KJAFRN O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072137658 562728321 /nfs/dbraw/zinc/72/83/21/562728321.db2.gz ZREOXIHDURNNHR-ZLNRFVROSA-N 0 0 523.014 4.539 1 0 KJAFRN O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072137660 562728339 /nfs/dbraw/zinc/72/83/39/562728339.db2.gz ZREOXIHDURNNHR-ZRBLBEILSA-N 0 0 523.014 4.539 1 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000072137729 562728372 /nfs/dbraw/zinc/72/83/72/562728372.db2.gz PDVAGQQXNQUIFZ-KYTVRQNUSA-N 0 0 601.125 4.525 1 0 KJAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(OC(F)(F)F)c2)C(=O)O1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000072138101 562728665 /nfs/dbraw/zinc/72/86/65/562728665.db2.gz SDEUBCIDKLDRAJ-IARZGTGTSA-N 0 0 706.765 4.955 1 0 KJAFRN CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000072138415 562728771 /nfs/dbraw/zinc/72/87/71/562728771.db2.gz OHOOJCQKLXWWSF-SDHSZQHLSA-N 0 0 511.022 4.744 1 0 KJAFRN O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072138512 562728808 /nfs/dbraw/zinc/72/88/08/562728808.db2.gz MXYQFPXCTMHRFQ-NXCFDTQHSA-N 0 0 523.033 4.744 1 0 KJAFRN O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072138514 562728795 /nfs/dbraw/zinc/72/87/95/562728795.db2.gz MXYQFPXCTMHRFQ-CYXNTTPDSA-N 0 0 523.033 4.744 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5c4CCCC5)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000072139551 562728976 /nfs/dbraw/zinc/72/89/76/562728976.db2.gz KFTVCIVDFSKMHT-UDKTZTBJSA-N 0 0 650.798 4.759 1 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000072139882 562729100 /nfs/dbraw/zinc/72/91/00/562729100.db2.gz OZYYCECXSZQYIA-UDCNLSRBSA-N 0 0 619.115 4.664 1 0 KJAFRN COC[C@H]1CN(C(=O)c2c3cnc(OC)cc3n(C3CCCCC3)c2Cc2cccc(F)c2C)CCN1 ZINC000072141215 562729347 /nfs/dbraw/zinc/72/93/47/562729347.db2.gz BBKCWSUBHZNUGG-OAQYLSRUSA-N 0 0 508.638 4.649 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc(C(F)(F)F)c4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000072141321 562729317 /nfs/dbraw/zinc/72/93/17/562729317.db2.gz IXCSISNIJQBOLS-JVAFGIKQSA-N 0 0 664.703 4.899 1 0 KJAFRN CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000072141515 562729394 /nfs/dbraw/zinc/72/93/94/562729394.db2.gz TZLCBLUPCPVHDH-QHCPKHFHSA-N 0 0 540.711 4.685 1 0 KJAFRN CCc1cc(=O)c2ccc(OCc3cccc(C(=O)OC)c3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072142795 562729620 /nfs/dbraw/zinc/72/96/20/562729620.db2.gz YQRRREBMTHFYLY-IOWSJCHKSA-N 0 0 548.588 4.886 1 0 KJAFRN CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C\[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@H](C(C)C)O2)OC1=O ZINC000072144704 562729723 /nfs/dbraw/zinc/72/97/23/562729723.db2.gz XDHNQDDQEHDUTM-GSIMAMLGSA-N 0 0 622.840 4.693 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072146504 562729706 /nfs/dbraw/zinc/72/97/06/562729706.db2.gz RSYYJDDKKMHYJX-ITNKIYFISA-N 0 0 651.760 4.722 1 0 KJAFRN O=C(CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000072148914 562729924 /nfs/dbraw/zinc/72/99/24/562729924.db2.gz RDMAORCZLWYFHW-BDYUSTAISA-N 0 0 647.132 4.509 1 0 KJAFRN O=C(CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000072148915 562729954 /nfs/dbraw/zinc/72/99/54/562729954.db2.gz RDMAORCZLWYFHW-AHKZPQOWSA-N 0 0 647.132 4.509 1 0 KJAFRN O=C(CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000072148916 562729989 /nfs/dbraw/zinc/72/99/89/562729989.db2.gz VIWCOULCBCTALP-XCZPVHLTSA-N 0 0 661.159 4.899 1 0 KJAFRN O=C(CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000072148917 562729955 /nfs/dbraw/zinc/72/99/55/562729955.db2.gz VIWCOULCBCTALP-XTEPFMGCSA-N 0 0 661.159 4.899 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072151437 562730116 /nfs/dbraw/zinc/73/01/16/562730116.db2.gz JWXGGWDICXSKTN-ZZSYSKQCSA-N 0 0 637.733 4.527 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072154461 562730163 /nfs/dbraw/zinc/73/01/63/562730163.db2.gz QOIIBRDWAIRYRU-ITNKIYFISA-N 0 0 651.760 4.830 1 0 KJAFRN COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072161454 562730227 /nfs/dbraw/zinc/73/02/27/562730227.db2.gz KIBNLLBINMVODV-DCYDCGNJSA-N 0 0 665.812 4.742 1 0 KJAFRN COc1cc(/C=C/C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)ccc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072169805 562730265 /nfs/dbraw/zinc/73/02/65/562730265.db2.gz PJJRQEJQCFPFNT-LNMUWQJVSA-N 0 0 742.826 4.896 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](O)CCO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170895 562730408 /nfs/dbraw/zinc/73/04/08/562730408.db2.gz VOSUOENDCRZSAK-ZBLYBZFDSA-N 0 0 531.561 4.914 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170949 562730444 /nfs/dbraw/zinc/73/04/44/562730444.db2.gz VTUYQRZIEPZTDT-OROMBRFGSA-N 0 0 575.614 4.700 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170950 562730465 /nfs/dbraw/zinc/73/04/65/562730465.db2.gz VTUYQRZIEPZTDT-MAARLIENSA-N 0 0 575.614 4.700 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5OCCC[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170985 562730447 /nfs/dbraw/zinc/73/04/47/562730447.db2.gz JBPLKSWOSFGTSF-HLADLETHSA-N 0 0 531.561 4.914 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5OCCC[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170986 562730443 /nfs/dbraw/zinc/73/04/43/562730443.db2.gz JBPLKSWOSFGTSF-AYWVHJORSA-N 0 0 531.561 4.914 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@H](O)CCO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171028 562730461 /nfs/dbraw/zinc/73/04/61/562730461.db2.gz VOSUOENDCRZSAK-JIPXPUAJSA-N 0 0 531.561 4.914 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](O)CCO5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072171029 562730455 /nfs/dbraw/zinc/73/04/55/562730455.db2.gz FVMOSSVDPULMPY-IBVKSMDESA-N 0 0 547.560 4.614 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171030 562730445 /nfs/dbraw/zinc/73/04/45/562730445.db2.gz PDVPPOQDCVUFMJ-UJASWGRQSA-N 0 0 559.615 4.937 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171031 562730462 /nfs/dbraw/zinc/73/04/62/562730462.db2.gz PDVPPOQDCVUFMJ-XZCCBILCSA-N 0 0 559.615 4.937 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171032 562730448 /nfs/dbraw/zinc/73/04/48/562730448.db2.gz PDVPPOQDCVUFMJ-MSKCZIETSA-N 0 0 559.615 4.937 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171033 562730442 /nfs/dbraw/zinc/73/04/42/562730442.db2.gz PDVPPOQDCVUFMJ-FWAXBDORSA-N 0 0 559.615 4.937 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171066 562730450 /nfs/dbraw/zinc/73/04/50/562730450.db2.gz GBTVPNGCZMLYLQ-RYRVMRHHSA-N 0 0 545.588 4.691 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCC[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171067 562730449 /nfs/dbraw/zinc/73/04/49/562730449.db2.gz GBTVPNGCZMLYLQ-FQLPYIGMSA-N 0 0 545.588 4.691 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5OC[C@@H]6OC(=O)O[C@@H]65)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171741 562730466 /nfs/dbraw/zinc/73/04/66/562730466.db2.gz DQHWKYGZXFMDFP-LFERIPGTSA-N 0 0 589.553 4.686 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171884 562730527 /nfs/dbraw/zinc/73/05/27/562730527.db2.gz YTBDPPOTUBASEJ-SBQMWNKPSA-N 0 0 589.641 4.946 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171885 562730535 /nfs/dbraw/zinc/73/05/35/562730535.db2.gz YTBDPPOTUBASEJ-YMIYHXICSA-N 0 0 589.641 4.946 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171886 562730526 /nfs/dbraw/zinc/73/05/26/562730526.db2.gz YTBDPPOTUBASEJ-PGRJIRFGSA-N 0 0 589.641 4.946 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171887 562730544 /nfs/dbraw/zinc/73/05/44/562730544.db2.gz YTBDPPOTUBASEJ-OVFDEVEISA-N 0 0 589.641 4.946 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C[C@H](O)CCO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171899 562730521 /nfs/dbraw/zinc/73/05/21/562730521.db2.gz QJKBDADFEBTJFA-ZBLYBZFDSA-N 0 0 561.587 4.923 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C[C@H](O)CCO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171916 562730536 /nfs/dbraw/zinc/73/05/36/562730536.db2.gz QJKBDADFEBTJFA-JIPXPUAJSA-N 0 0 561.587 4.923 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172027 562730625 /nfs/dbraw/zinc/73/06/25/562730625.db2.gz MURGCWLMNOVSHJ-JDNUMAKYSA-N 0 0 575.614 4.637 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172028 562730626 /nfs/dbraw/zinc/73/06/26/562730626.db2.gz MURGCWLMNOVSHJ-FYCSRAKPSA-N 0 0 575.614 4.637 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172029 562730592 /nfs/dbraw/zinc/73/05/92/562730592.db2.gz MURGCWLMNOVSHJ-SZAJVGQPSA-N 0 0 575.614 4.637 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@@H](C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172030 562730596 /nfs/dbraw/zinc/73/05/96/562730596.db2.gz MURGCWLMNOVSHJ-WNPYVCIISA-N 0 0 575.614 4.637 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[C@H](O)CO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172050 562730605 /nfs/dbraw/zinc/73/06/05/562730605.db2.gz XHVLOXVLWJNMHZ-RXFWQSSRSA-N 0 0 517.534 4.524 1 0 KJAFRN COc1ccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072172080 562730589 /nfs/dbraw/zinc/73/05/89/562730589.db2.gz HDAWEBWHSKWNKU-GDLZYMKVSA-N 0 0 616.591 4.546 1 0 KJAFRN COc1ccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072172081 562730620 /nfs/dbraw/zinc/73/06/20/562730620.db2.gz HDAWEBWHSKWNKU-LJAQVGFWSA-N 0 0 616.591 4.546 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[C@H](O)CO5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172105 562730653 /nfs/dbraw/zinc/73/06/53/562730653.db2.gz XHVLOXVLWJNMHZ-FNZWTVRRSA-N 0 0 517.534 4.524 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5OCC[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172109 562730647 /nfs/dbraw/zinc/73/06/47/562730647.db2.gz KYFPKHJAUIGCAO-BTYSJIOQSA-N 0 0 517.534 4.524 1 0 KJAFRN C[C@@H]1CC[C@]2(C(=O)OCCN3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000072172123 562730654 /nfs/dbraw/zinc/73/06/54/562730654.db2.gz YQVXVMGNMBARLG-NBTIRILNSA-N 0 0 601.869 4.824 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC(N)=O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173020 562730709 /nfs/dbraw/zinc/73/07/09/562730709.db2.gz VDXRANYKADUVEP-UHFFFAOYSA-N 0 0 504.495 4.504 1 0 KJAFRN O=c1c(Br)c(OCc2ccc(F)cc2F)cc(CN2CCOCC2)n1-c1c(F)cccc1F ZINC000072173036 562730721 /nfs/dbraw/zinc/73/07/21/562730721.db2.gz VOHOPAKYZONLJH-UHFFFAOYSA-N 0 0 527.312 4.568 1 0 KJAFRN O=C(Nc1ccn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)n1)c1ccccc1 ZINC000072173065 562730784 /nfs/dbraw/zinc/73/07/84/562730784.db2.gz JJPBIHLNXMEGCS-XYGWBWBKSA-N 0 0 535.556 4.582 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5OCC[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173069 562730778 /nfs/dbraw/zinc/73/07/78/562730778.db2.gz KYFPKHJAUIGCAO-RNWIMVQKSA-N 0 0 517.534 4.524 1 0 KJAFRN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173126 562730763 /nfs/dbraw/zinc/73/07/63/562730763.db2.gz QHEQIRPBXUBDBB-TYONGCAVSA-N 0 0 612.603 4.937 1 0 KJAFRN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173127 562730769 /nfs/dbraw/zinc/73/07/69/562730769.db2.gz QHEQIRPBXUBDBB-SMAAHIPSSA-N 0 0 612.603 4.937 1 0 KJAFRN CCCN(CCC)c1cc2nc([S@@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1NC(=O)c1ccco1 ZINC000072173221 562730855 /nfs/dbraw/zinc/73/08/55/562730855.db2.gz CNVFWJKMFNJKOL-DIPNUNPCSA-N 0 0 525.631 4.755 1 0 KJAFRN CCCN(CCC)c1cc2nc([S@](=O)Cc3nccc(OC)c3OC)[nH]c2cc1NC(=O)c1ccco1 ZINC000072173222 562730878 /nfs/dbraw/zinc/73/08/78/562730878.db2.gz CNVFWJKMFNJKOL-QNGWXLTQSA-N 0 0 525.631 4.755 1 0 KJAFRN COc1ccnc(C[S@@](=O)c2nc3cc(Oc4ccccc4)c(NC(=O)c4ccco4)cc3[nH]2)c1OC ZINC000072173223 562730853 /nfs/dbraw/zinc/73/08/53/562730853.db2.gz QWXYREGSOXQHGU-QNGWXLTQSA-N 0 0 518.551 4.921 1 0 KJAFRN COc1ccnc(C[S@](=O)c2nc3cc(Oc4ccccc4)c(NC(=O)c4ccco4)cc3[nH]2)c1OC ZINC000072173224 562730859 /nfs/dbraw/zinc/73/08/59/562730859.db2.gz QWXYREGSOXQHGU-DIPNUNPCSA-N 0 0 518.551 4.921 1 0 KJAFRN O=C(/C=C/c1ccco1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173254 562730872 /nfs/dbraw/zinc/73/08/72/562730872.db2.gz FUFSQOCUAPXSRE-KXTHUWMESA-N 0 0 602.564 4.530 1 0 KJAFRN O=C(/C=C/c1ccco1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173255 562730843 /nfs/dbraw/zinc/73/08/43/562730843.db2.gz FUFSQOCUAPXSRE-XTCKYKGNSA-N 0 0 602.564 4.530 1 0 KJAFRN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC(=O)N(C)C)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072173307 562730898 /nfs/dbraw/zinc/73/08/98/562730898.db2.gz HXSNNHLVQCXZED-UHFFFAOYSA-N 0 0 518.522 4.799 1 0 KJAFRN COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173323 562730923 /nfs/dbraw/zinc/73/09/23/562730923.db2.gz AOVBLAGZFIKPBG-XPZLYCDASA-N 0 0 672.655 4.954 1 0 KJAFRN COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173324 562730928 /nfs/dbraw/zinc/73/09/28/562730928.db2.gz AOVBLAGZFIKPBG-UPAUECKQSA-N 0 0 672.655 4.954 1 0 KJAFRN CC(=O)O[C@H]1CC[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2O)[C@H](OC(=O)/C=C\c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]13C ZINC000072173348 562730956 /nfs/dbraw/zinc/73/09/56/562730956.db2.gz FXJPPIJUTVUQRL-XDVWIUBESA-N 0 0 562.659 4.743 1 0 KJAFRN CNC(=O)Oc1c(C)c2oc(=O)c(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)cc2cc1OC ZINC000072173458 562731013 /nfs/dbraw/zinc/73/10/13/562731013.db2.gz BEVWFOLNLLDJRQ-UHFFFAOYSA-N 0 0 518.522 4.765 1 0 KJAFRN CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N(C(=O)[C@H]([NH3+])Cc3ccccc3)[C@H]1Nc1ccccc12 ZINC000072174366 562731089 /nfs/dbraw/zinc/73/10/89/562731089.db2.gz WUCPVLPAEPQDIQ-URECHRMKSA-N 0 0 558.723 4.519 1 0 KJAFRN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1OC ZINC000072174380 562731079 /nfs/dbraw/zinc/73/10/79/562731079.db2.gz WYTRDKWLZSNDLW-KZWMBQABSA-N 0 0 672.655 4.954 1 0 KJAFRN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1OC ZINC000072174381 562731099 /nfs/dbraw/zinc/73/10/99/562731099.db2.gz WYTRDKWLZSNDLW-FCUOVPDASA-N 0 0 672.655 4.954 1 0 KJAFRN NN1C(=S)N=NC1CSc1nnc(Cc2c3c(sc2NC(=O)c2ccccc2)CCCC3)n1NC(=O)c1ccc(Cl)cc1 ZINC000072174417 562731110 /nfs/dbraw/zinc/73/11/10/562731110.db2.gz VJEWDPDWKQTABT-UHFFFAOYSA-N 0 0 652.231 4.985 1 0 KJAFRN COc1c(C)cnc(C[S@@](=O)c2nc3cc(Oc4ccc5c(c4)OCO5)c(NC(=O)C4CC4)cc3[nH]2)c1C ZINC000072174946 562731226 /nfs/dbraw/zinc/73/12/26/562731226.db2.gz VZSUGCWTKXJFHS-LHEWISCISA-N 0 0 534.594 4.761 1 0 KJAFRN COc1c(C)cnc(C[S@](=O)c2nc3cc(Oc4ccc5c(c4)OCO5)c(NC(=O)C4CC4)cc3[nH]2)c1C ZINC000072174947 562731185 /nfs/dbraw/zinc/73/11/85/562731185.db2.gz VZSUGCWTKXJFHS-KXQOOQHDSA-N 0 0 534.594 4.761 1 0 KJAFRN CC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4[N-]C(=O)C(F)(F)F)n3)cc2CC1 ZINC000072174948 562731217 /nfs/dbraw/zinc/73/12/17/562731217.db2.gz MATHWQFCWXKDBA-WOJBJXKFSA-N 0 0 510.992 4.696 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccccc1 ZINC000072174983 562731273 /nfs/dbraw/zinc/73/12/73/562731273.db2.gz DRYWKHVFEMUYPT-MUUNZHRXSA-N 0 0 586.565 4.537 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccccc1 ZINC000072174984 562731235 /nfs/dbraw/zinc/73/12/35/562731235.db2.gz DRYWKHVFEMUYPT-NDEPHWFRSA-N 0 0 586.565 4.537 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000072175259 562731276 /nfs/dbraw/zinc/73/12/76/562731276.db2.gz MBAWVGOQZXLBON-MUUNZHRXSA-N 0 0 604.555 4.677 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000072175260 562731307 /nfs/dbraw/zinc/73/13/07/562731307.db2.gz MBAWVGOQZXLBON-NDEPHWFRSA-N 0 0 604.555 4.677 1 0 KJAFRN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCCCCCCOCc1cn(CCOc2ccccc2)nn1 ZINC000072175465 562731345 /nfs/dbraw/zinc/73/13/45/562731345.db2.gz RXTBNXFUNGVJIO-XEVVZDEMSA-N 0 0 600.830 4.837 1 0 KJAFRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072175670 562731393 /nfs/dbraw/zinc/73/13/93/562731393.db2.gz GCGFJHBPHXSEKZ-GDLZYMKVSA-N 0 0 600.592 4.846 1 0 KJAFRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072175671 562731391 /nfs/dbraw/zinc/73/13/91/562731391.db2.gz GCGFJHBPHXSEKZ-LJAQVGFWSA-N 0 0 600.592 4.846 1 0 KJAFRN COC(=O)CSc1nnc(Cc2c3c(sc2NC(=O)c2ccccc2)CCCC3)n1NC(=O)c1ccccc1 ZINC000072175675 562731401 /nfs/dbraw/zinc/73/14/01/562731401.db2.gz SAAXYMYCHZMPBZ-UHFFFAOYSA-N 0 0 561.689 4.711 1 0 KJAFRN CCCCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175677 562731386 /nfs/dbraw/zinc/73/13/86/562731386.db2.gz ZWDJEFHONSYZSE-HHHXNRCGSA-N 0 0 580.602 4.804 1 0 KJAFRN CCCCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175678 562731382 /nfs/dbraw/zinc/73/13/82/562731382.db2.gz ZWDJEFHONSYZSE-MHZLTWQESA-N 0 0 580.602 4.804 1 0 KJAFRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc(OCCCCOc2cccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072175870 562731406 /nfs/dbraw/zinc/73/14/06/562731406.db2.gz GVZUBSVCKCNZRT-VSGBNLITSA-N 0 0 638.812 4.636 1 0 KJAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(OCCCCOc2cccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072175871 562731426 /nfs/dbraw/zinc/73/14/26/562731426.db2.gz GVZUBSVCKCNZRT-HNRBIFIRSA-N 0 0 638.812 4.636 1 0 KJAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(OCCCCOc2cccc([C@@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072175872 562731443 /nfs/dbraw/zinc/73/14/43/562731443.db2.gz GVZUBSVCKCNZRT-NSOVKSMOSA-N 0 0 638.812 4.636 1 0 KJAFRN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(Cl)ccn32)n1 ZINC000072178313 562732024 /nfs/dbraw/zinc/73/20/24/562732024.db2.gz VNZXNBJMCXDCSK-UHFFFAOYSA-N 0 0 512.401 4.519 1 0 KJAFRN O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 ZINC000072178504 562732058 /nfs/dbraw/zinc/73/20/58/562732058.db2.gz PBPLNIMPZZXVKJ-JLSDUUJJSA-N 0 0 543.329 4.928 1 0 KJAFRN O=C(Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 ZINC000072178505 562732065 /nfs/dbraw/zinc/73/20/65/562732065.db2.gz PBPLNIMPZZXVKJ-FHLIZLRMSA-N 0 0 543.329 4.928 1 0 KJAFRN O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 ZINC000072178851 562732131 /nfs/dbraw/zinc/73/21/31/562732131.db2.gz MMKUQOMGBVUZMS-PUHATCMVSA-N 0 0 535.526 4.804 1 0 KJAFRN O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 ZINC000072178852 562732176 /nfs/dbraw/zinc/73/21/76/562732176.db2.gz MMKUQOMGBVUZMS-AKIFATBCSA-N 0 0 535.526 4.804 1 0 KJAFRN CCOC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2ccc3sccc3c2)=C1Cc1ccc2sccc2c1 ZINC000072178958 562732202 /nfs/dbraw/zinc/73/22/02/562732202.db2.gz YHOLYAUHUWXELD-SSEPRJSISA-N 0 0 510.633 4.549 1 0 KJAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](SC(C)(C)C)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178997 562732193 /nfs/dbraw/zinc/73/21/93/562732193.db2.gz LJTYFOPORRMVFP-PZJWPPBQSA-N 0 0 566.757 4.561 1 0 KJAFRN CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc1N(C(C)=O)c1ccccc1 ZINC000072179137 562732227 /nfs/dbraw/zinc/73/22/27/562732227.db2.gz OLKCLGIIQNHVQW-UHFFFAOYSA-N 0 0 507.554 4.640 1 0 KJAFRN CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc1N(C(C)=O)c1cccc(C)c1 ZINC000072179277 562732279 /nfs/dbraw/zinc/73/22/79/562732279.db2.gz YGQCVEGMIVCPAY-UHFFFAOYSA-N 0 0 521.581 4.948 1 0 KJAFRN CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc1N(C(C)=O)c1ccc(C)cc1 ZINC000072179283 562732313 /nfs/dbraw/zinc/73/23/13/562732313.db2.gz NJSJRDFIVWEJKR-UHFFFAOYSA-N 0 0 521.581 4.948 1 0 KJAFRN CS(=O)(=O)c1ccc(Cl)c(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1 ZINC000072179306 562732318 /nfs/dbraw/zinc/73/23/18/562732318.db2.gz AEWZNGLUOQGXNX-UHFFFAOYSA-N 0 0 511.991 4.753 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](CCOC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC000072179393 562732296 /nfs/dbraw/zinc/73/22/96/562732296.db2.gz DMRAVUWDCHNEEQ-NSOVKSMOSA-N 0 0 655.789 4.979 1 0 KJAFRN CCCOC(=O)[C@]1(O)C=C(OCc2ccc3sccc3c2)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)C1 ZINC000072179621 562732347 /nfs/dbraw/zinc/73/23/47/562732347.db2.gz TZBIUZBHTCOXAQ-RMXYQJDTSA-N 0 0 518.628 4.814 1 0 KJAFRN CS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c(Cl)c1 ZINC000072179659 562732388 /nfs/dbraw/zinc/73/23/88/562732388.db2.gz WXOHMPHFRABETA-UHFFFAOYSA-N 0 0 511.991 4.753 1 0 KJAFRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCCCCOc2ccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072179794 562732423 /nfs/dbraw/zinc/73/24/23/562732423.db2.gz DYWLYCJPPXJRRV-LOYHVIPDSA-N 0 0 698.864 4.654 1 0 KJAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCCCCOc2ccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072179795 562732408 /nfs/dbraw/zinc/73/24/08/562732408.db2.gz DYWLYCJPPXJRRV-RNPORBBMSA-N 0 0 698.864 4.654 1 0 KJAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCCCCOc2ccc([C@@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072179796 562732418 /nfs/dbraw/zinc/73/24/18/562732418.db2.gz DYWLYCJPPXJRRV-KYJUHHDHSA-N 0 0 698.864 4.654 1 0 KJAFRN CCOC(=O)c1cn(-c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc1N(C(C)=O)c1cccc(C)c1 ZINC000072180368 562732474 /nfs/dbraw/zinc/73/24/74/562732474.db2.gz WUZSGWDEHMTHGO-UHFFFAOYSA-N 0 0 507.554 4.889 1 0 KJAFRN COC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cc3cc(C)ccc3s2)=C1Cc1cc2cc(C)ccc2s1 ZINC000072181086 562732649 /nfs/dbraw/zinc/73/26/49/562732649.db2.gz NIHGPMSAYWTVBG-MDQGVCTMSA-N 0 0 524.660 4.776 1 0 KJAFRN CCCOC(=O)[C@]1(O)C=C(OCc2ccc3ccccc3c2)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)C1 ZINC000072181199 562732666 /nfs/dbraw/zinc/73/26/66/562732666.db2.gz WVIOGXUKRZBOSS-VQFWCGETSA-N 0 0 512.599 4.752 1 0 KJAFRN O=C(NCC1(C(=O)N2CCCCC2)CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181299 562732692 /nfs/dbraw/zinc/73/26/92/562732692.db2.gz VOMUDECPLXAVHE-UHFFFAOYSA-N 0 0 516.646 4.747 1 0 KJAFRN O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1CCCCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000072181536 562732771 /nfs/dbraw/zinc/73/27/71/562732771.db2.gz ZGGYTFLUXUSAHW-BKUVIOGVSA-N 0 0 582.028 4.827 1 0 KJAFRN O=S(=O)(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(OCc2cn(Cc3cccnc3)nn2)c1 ZINC000072182522 562732871 /nfs/dbraw/zinc/73/28/71/562732871.db2.gz IVBAIDATURZYJB-PKNBQFBNSA-N 0 0 515.517 4.732 1 0 KJAFRN COCCOCCN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1cc(C)ccc1C)S(C)(=O)=O ZINC000072182776 562732864 /nfs/dbraw/zinc/73/28/64/562732864.db2.gz HJOARWUNHVGPHK-UHFFFAOYSA-N 0 0 532.703 4.830 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1[C@H](C)CCC[C@H]1O)C(C)(C)C ZINC000072315376 562733091 /nfs/dbraw/zinc/73/30/91/562733091.db2.gz BTIXYOBKELYDSF-PMVVOZMRSA-N 0 0 720.883 4.970 1 0 KJAFRN CONS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(Cl)ccc1Cl ZINC000072316547 562733121 /nfs/dbraw/zinc/73/31/21/562733121.db2.gz BNUGYYRWBSZKCZ-UHFFFAOYSA-N 0 0 593.468 4.778 1 0 KJAFRN O=C(O[C@@H]1Cc2ccccc2C[C@@H]1OC(=O)c1cc(O)c(Br)c(O)c1)c1cc(O)c(Br)c(O)c1 ZINC000072316913 562733111 /nfs/dbraw/zinc/73/31/11/562733111.db2.gz HTUGLXUHDIKPOA-BGYRXZFFSA-N 0 0 594.208 4.584 1 0 KJAFRN CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(N)=O)C4(C)C)C(C)(C)O ZINC000072317114 562733160 /nfs/dbraw/zinc/73/31/60/562733160.db2.gz VOEVNFYRRKUCQW-LBITWGJCSA-N 0 0 575.787 4.966 1 0 KJAFRN FC(F)(F)CNc1nc(NCc2ccc(-n3cncn3)cc2)nc2ccc(-c3ccc(OC4CC4)nc3)nc21 ZINC000072317470 562733181 /nfs/dbraw/zinc/73/31/81/562733181.db2.gz BGLJVHFMVAORQG-UHFFFAOYSA-N 0 0 533.518 4.795 1 0 KJAFRN CC(C)(C)c1cc(C(=O)N2CCC(=O)N(CCC(N)=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000072318123 562733221 /nfs/dbraw/zinc/73/32/21/562733221.db2.gz LOXPEARIDHTHOH-UHFFFAOYSA-N 0 0 554.500 4.546 1 0 KJAFRN COc1cc(Nc2nccc(N3CCC[C@H](C(=O)NCc4ccc(OC(F)(F)F)cc4)C3)n2)cc(OC)c1OC ZINC000072318205 562733289 /nfs/dbraw/zinc/73/32/89/562733289.db2.gz GBYYHFNOPGCXMC-SFHVURJKSA-N 0 0 561.561 4.677 1 0 KJAFRN CCC/C=C\c1ccc(CN2[C@H](C(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000073113883 562733302 /nfs/dbraw/zinc/73/33/02/562733302.db2.gz RRRPHCMRJVEZHE-FHTCKVRXSA-N 0 0 541.762 4.871 1 0 KJAFRN COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C(C)C)c3)nc2)cc1 ZINC000073129619 562733305 /nfs/dbraw/zinc/73/33/05/562733305.db2.gz KLASYBGCBSVRFA-AATRIKPKSA-N 0 0 639.757 4.548 1 0 KJAFRN COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C(C)C)c4)n(C)c3)nc2)cc1 ZINC000073138561 562733384 /nfs/dbraw/zinc/73/33/84/562733384.db2.gz LQAKDRZLFJJDFI-AATRIKPKSA-N 0 0 639.757 4.548 1 0 KJAFRN COc1ccc(CN(CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1 ZINC000073138611 562733404 /nfs/dbraw/zinc/73/34/04/562733404.db2.gz BWBDWEIXBARWJD-UHFFFAOYSA-N 0 0 504.034 4.690 1 0 KJAFRN COc1cc(NC(=O)c2cn(Cc3c(Cl)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC ZINC000073140924 562733644 /nfs/dbraw/zinc/73/36/44/562733644.db2.gz JELWUFXWZSYANR-UHFFFAOYSA-N 0 0 530.364 4.735 1 0 KJAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@H](NC(=O)N2CCCC2)CC3(C)C)ncc1Cl ZINC000073142346 562733824 /nfs/dbraw/zinc/73/38/24/562733824.db2.gz HGSNUBHWAMMKIR-JOCHJYFZSA-N 0 0 595.079 4.910 1 0 in-vitro KJAFRN CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(Cc3ccccn3)CC2)cc1 ZINC000073142376 562733782 /nfs/dbraw/zinc/73/37/82/562733782.db2.gz PWQQSPQAPCATHL-SSEXGKCCSA-N 0 0 525.697 4.819 1 0 KJAFRN CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)OC)c2)N2CCN(Cc3cccnc3)CC2)cc1 ZINC000073155984 562733800 /nfs/dbraw/zinc/73/38/00/562733800.db2.gz FEFGAECMIYQVFL-MUUNZHRXSA-N 0 0 515.658 4.649 1 0 KJAFRN Cc1nc(N2C(=O)CS[C@H]2c2c(Br)cncc2Br)ccc1Br ZINC000073157187 562733845 /nfs/dbraw/zinc/73/38/45/562733845.db2.gz BEHKURBWWOBHPQ-AWEZNQCLSA-N 0 0 508.033 4.851 1 0 KJAFRN Cc1nc(N2C(=O)CS[C@@H]2c2c(Br)cncc2Br)ccc1Br ZINC000073157189 562733838 /nfs/dbraw/zinc/73/38/38/562733838.db2.gz BEHKURBWWOBHPQ-CQSZACIVSA-N 0 0 508.033 4.851 1 0 KJAFRN CCN(C)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(Cc3nc(C)cs3)CC2)cc1 ZINC000073157506 562733918 /nfs/dbraw/zinc/73/39/18/562733918.db2.gz BZOKDMVHPRZDSW-MUUNZHRXSA-N 0 0 531.726 4.799 1 0 KJAFRN COc1cccc(-c2c[nH]c(-c3cc(C(=O)N[C@@H](C)c4ccccc4)cc(N(C)S(C)(=O)=O)c3)n2)c1 ZINC000073158301 562733906 /nfs/dbraw/zinc/73/39/06/562733906.db2.gz UCWXKESNYRGXEW-SFHVURJKSA-N 0 0 504.612 4.639 1 0 KJAFRN CCS(=O)(=O)CCN(C(=O)Cc1ccc(C(F)(F)F)c(F)c1)[C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(F)cc1 ZINC000073158473 562733939 /nfs/dbraw/zinc/73/39/39/562733939.db2.gz IDDXXAWEEOXTID-QGZVFWFLSA-N 0 0 608.589 4.645 1 0 KJAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@@H](NC(=O)N2CCCC2)CC3(C)C)ncc1Cl ZINC000073158654 562733931 /nfs/dbraw/zinc/73/39/31/562733931.db2.gz HGSNUBHWAMMKIR-QFIPXVFZSA-N 0 0 595.079 4.910 1 0 KJAFRN O=C(Nc1cccc([C@@H](c2ccc(C(=O)N3CCC3)cc2)N2CCN(Cc3ccc(F)cc3)CC2)c1)C1CC1 ZINC000073161346 562734069 /nfs/dbraw/zinc/73/40/69/562734069.db2.gz LYTCXQWSMLSBBT-SSEXGKCCSA-N 0 0 526.656 4.927 1 0 KJAFRN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2c(Cl)cccc2Cl)c2ccc(=O)[nH]c2c1=O ZINC000073161734 562734148 /nfs/dbraw/zinc/73/41/48/562734148.db2.gz VOJWVORRJJLZOX-UHFFFAOYSA-N 0 0 525.392 4.546 1 0 KJAFRN CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(F)cc1 ZINC000073161766 562734158 /nfs/dbraw/zinc/73/41/58/562734158.db2.gz HLRSJAFCIHUSTE-QGZVFWFLSA-N 0 0 608.589 4.645 1 0 KJAFRN O=C1N[C@H](c2cccc3ccccc32)C(=O)N1CCCCN1C(=O)N[C@@H](c2cccc3ccccc32)C1=O ZINC000073162359 562734173 /nfs/dbraw/zinc/73/41/73/562734173.db2.gz PZMFFFVSVUBAIJ-WMPKNSHKSA-N 0 0 506.562 4.659 1 0 KJAFRN O=C1N[C@@H](c2cccc3ccccc32)C(=O)N1CCCCN1C(=O)N[C@@H](c2cccc3ccccc32)C1=O ZINC000073162363 562734194 /nfs/dbraw/zinc/73/41/94/562734194.db2.gz PZMFFFVSVUBAIJ-UIOOFZCWSA-N 0 0 506.562 4.659 1 0 KJAFRN O=C1N[C@H](c2cccc3ccccc32)C(=O)N1CCCCN1C(=O)N[C@H](c2cccc3ccccc32)C1=O ZINC000073162365 562734168 /nfs/dbraw/zinc/73/41/68/562734168.db2.gz PZMFFFVSVUBAIJ-CLJLJLNGSA-N 0 0 506.562 4.659 1 0 KJAFRN COc1ccc([C@@H]2CC(c3cc(Cl)c(C)cc3OC)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000073163130 562734237 /nfs/dbraw/zinc/73/42/37/562734237.db2.gz CCVGGBKNEMSQOP-QFIPXVFZSA-N 0 0 516.019 4.677 1 0 KJAFRN COc1ccc([C@H]2CC(c3cc(Cl)c(C)cc3OC)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000073163132 562734248 /nfs/dbraw/zinc/73/42/48/562734248.db2.gz CCVGGBKNEMSQOP-JOCHJYFZSA-N 0 0 516.019 4.677 1 0 KJAFRN O=C(Nc1cccc(Nc2cc3c(=O)[nH][nH]c(=O)c3cc2Cl)c1)c1cccc(I)c1 ZINC000073164155 562734282 /nfs/dbraw/zinc/73/42/82/562734282.db2.gz IESVGVCLYIUCSJ-UHFFFAOYSA-N 0 0 532.725 4.883 1 0 KJAFRN CN1CCN(C(=O)[C@@H](COCc2ccc(F)cc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000073164459 562734304 /nfs/dbraw/zinc/73/43/04/562734304.db2.gz UHJLPAVCVVEQGP-HSZRJFAPSA-N 0 0 594.993 4.774 1 0 KJAFRN O=C(Nc1cccc(Nc2cc3c(cc2Cl)C(=O)NC3=O)c1)c1cccc(I)c1 ZINC000073166668 562734539 /nfs/dbraw/zinc/73/45/39/562734539.db2.gz NQTHPBZIGQQCGW-UHFFFAOYSA-N 0 0 517.710 4.824 1 0 KJAFRN O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H]2NC3(CCC(c4c[nH]c5ccccc54)CC3)NC2=O)CC1 ZINC000073167942 562734655 /nfs/dbraw/zinc/73/46/55/562734655.db2.gz NBHVVONHSRLZIE-JBYCZTRCSA-N 0 0 536.598 4.979 1 0 KJAFRN O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H]2NC3(CCC(c4c[nH]c5ccccc54)CC3)NC2=O)CC1 ZINC000073167946 562734656 /nfs/dbraw/zinc/73/46/56/562734656.db2.gz NBHVVONHSRLZIE-CDGXASKNSA-N 0 0 536.598 4.979 1 0 KJAFRN COc1ccc([C@@H]2CC(c3cc(Cl)c(C)cc3OC)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC ZINC000073167979 562734673 /nfs/dbraw/zinc/73/46/73/562734673.db2.gz UIMFTYHCSJWIAY-QFIPXVFZSA-N 0 0 546.045 4.686 1 0 KJAFRN COc1ccc([C@H]2CC(c3cc(Cl)c(C)cc3OC)=NN2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC ZINC000073167981 562734681 /nfs/dbraw/zinc/73/46/81/562734681.db2.gz UIMFTYHCSJWIAY-JOCHJYFZSA-N 0 0 546.045 4.686 1 0 KJAFRN CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000073168765 562734778 /nfs/dbraw/zinc/73/47/78/562734778.db2.gz KAZJACRSYJQAEE-HSZRJFAPSA-N 0 0 577.003 4.635 1 0 KJAFRN COC1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1 ZINC000073169056 562734783 /nfs/dbraw/zinc/73/47/83/562734783.db2.gz AKUBJNKMQOIYPV-UHFFFAOYSA-N 0 0 528.009 4.900 1 0 KJAFRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000073169128 562734794 /nfs/dbraw/zinc/73/47/94/562734794.db2.gz OAYGVALPPHEIOB-DYIKCSJPSA-N 0 0 549.662 4.644 1 0 KJAFRN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)CN1CCN(c2ccccc2Cl)CC1 ZINC000073169317 562734804 /nfs/dbraw/zinc/73/48/04/562734804.db2.gz PKGLZVANLVOORK-QHCPKHFHSA-N 0 0 515.000 4.996 1 0 KJAFRN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)CN1CCN(c2ccccc2Cl)CC1 ZINC000073169319 562734808 /nfs/dbraw/zinc/73/48/08/562734808.db2.gz PKGLZVANLVOORK-HSZRJFAPSA-N 0 0 515.000 4.996 1 0 KJAFRN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000073169321 562734815 /nfs/dbraw/zinc/73/48/15/562734815.db2.gz UJXBQPXWEDCHHJ-RUZDIDTESA-N 0 0 515.000 4.996 1 0 KJAFRN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000073169323 562734826 /nfs/dbraw/zinc/73/48/26/562734826.db2.gz UJXBQPXWEDCHHJ-VWLOTQADSA-N 0 0 515.000 4.996 1 0 KJAFRN O=C(c1ccc(C(F)(F)F)cc1)N1C[C@H]2c3c(c4ccccc4n3Cc3ccccc3)CCN2C(=O)C1=O ZINC000073170034 562734871 /nfs/dbraw/zinc/73/48/71/562734871.db2.gz FFXJFTAZUAGAGT-DEOSSOPVSA-N 0 0 517.507 4.817 1 0 KJAFRN O=C(c1ccc(C(F)(F)F)cc1)N1C[C@@H]2c3c(c4ccccc4n3Cc3ccccc3)CCN2C(=O)C1=O ZINC000073170035 562734850 /nfs/dbraw/zinc/73/48/50/562734850.db2.gz FFXJFTAZUAGAGT-XMMPIXPASA-N 0 0 517.507 4.817 1 0 KJAFRN O=C(NCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn32)n1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000073170151 562734917 /nfs/dbraw/zinc/73/49/17/562734917.db2.gz UFYJZYBVURLWTL-UHFFFAOYSA-N 0 0 609.634 4.923 1 0 KJAFRN CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21 ZINC000073170172 562734893 /nfs/dbraw/zinc/73/48/93/562734893.db2.gz MEZPKAWPZYIBGY-DEOSSOPVSA-N 0 0 541.633 4.975 1 0 KJAFRN O=C(NCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn32)n1)c1cc(N2CCOCC2)cc(C(F)(F)F)c1 ZINC000073195848 562734936 /nfs/dbraw/zinc/73/49/36/562734936.db2.gz RSHAEAWDOBIEPQ-UHFFFAOYSA-N 0 0 609.634 4.923 1 0 KJAFRN CN1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)cc2Cl)CC1 ZINC000073195913 562734965 /nfs/dbraw/zinc/73/49/65/562734965.db2.gz DWAWSDBNWWEXEB-UHFFFAOYSA-N 0 0 554.120 4.622 1 0 KJAFRN O=C(CO)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000073196338 562735121 /nfs/dbraw/zinc/73/51/21/562735121.db2.gz VHGQJLWYOGRRAE-UHFFFAOYSA-N 0 0 505.884 4.748 1 0 KJAFRN O=C(Cc1ccccn1)Nc1sc2c(c1C(=O)OC1CCCC1)CCN(C(=O)NCc1ccccc1)C2 ZINC000073196355 562735124 /nfs/dbraw/zinc/73/51/24/562735124.db2.gz UDYGITTWONHKMZ-UHFFFAOYSA-N 0 0 518.639 4.692 1 0 KJAFRN O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 ZINC000073196431 562735129 /nfs/dbraw/zinc/73/51/29/562735129.db2.gz HIQCKBVCWDCFNW-UHFFFAOYSA-N 0 0 543.715 4.508 1 0 KJAFRN CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)OC)c2)N2CCN(Cc3cncs3)CC2)cc1 ZINC000073196812 562735257 /nfs/dbraw/zinc/73/52/57/562735257.db2.gz YQFXHACLUUPYTB-AREMUKBSSA-N 0 0 521.687 4.711 1 0 KJAFRN CN(C)C(=O)c1cnc(-c2ccc3c(c2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)nc1 ZINC000073196958 562735244 /nfs/dbraw/zinc/73/52/44/562735244.db2.gz OEVVOPPIVBWDRC-OAQYLSRUSA-N 0 0 500.584 4.599 1 0 KJAFRN CN(C)C(=O)c1cnc(-c2ccc3c(c2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)nc1 ZINC000073196959 562735197 /nfs/dbraw/zinc/73/51/97/562735197.db2.gz OEVVOPPIVBWDRC-NRFANRHFSA-N 0 0 500.584 4.599 1 0 KJAFRN CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000073197175 562735268 /nfs/dbraw/zinc/73/52/68/562735268.db2.gz FKYSXKPEVLYOIE-JGCGQSQUSA-N 0 0 633.189 4.848 1 0 KJAFRN CNC(=O)OCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000073197416 562735366 /nfs/dbraw/zinc/73/53/66/562735366.db2.gz NKLODCPBUVOCNT-WJOKGBTCSA-N 0 0 635.161 4.678 1 0 KJAFRN CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000073197530 562735386 /nfs/dbraw/zinc/73/53/86/562735386.db2.gz IPOBVDSYZKEJPC-JGCGQSQUSA-N 0 0 633.189 4.500 1 0 KJAFRN CCOC(=O)C(C)(C)Sc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(Br)cc2s1 ZINC000073197616 562735439 /nfs/dbraw/zinc/73/54/39/562735439.db2.gz VUDKZGFHKMIZHB-UHFFFAOYSA-N 0 0 500.440 4.929 1 0 KJAFRN COc1c(C)nccc1CN(C(=O)[C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)C1CC1 ZINC000073197722 562735421 /nfs/dbraw/zinc/73/54/21/562735421.db2.gz WKJNJYHJQMLYHA-MUUNZHRXSA-N 0 0 563.098 4.560 1 0 KJAFRN O=C([C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1ccccc1Cl)C1CC1 ZINC000073197757 562735414 /nfs/dbraw/zinc/73/54/14/562735414.db2.gz ZIMCRSPNKRSZJM-GDLZYMKVSA-N 0 0 548.083 4.822 1 0 KJAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2ccccc2Cl)C2CC2)cc1 ZINC000073197758 562735442 /nfs/dbraw/zinc/73/54/42/562735442.db2.gz CWXNLSZPKWVCOT-GDLZYMKVSA-N 0 0 578.109 4.830 1 0 KJAFRN CNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c1 ZINC000073197771 562735473 /nfs/dbraw/zinc/73/54/73/562735473.db2.gz NSFNYATVGOKEKO-SSEXGKCCSA-N 0 0 623.581 4.790 1 0 KJAFRN CC(=O)NCCCCCc1cc(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)ccn1 ZINC000073197875 562735502 /nfs/dbraw/zinc/73/55/02/562735502.db2.gz VGUGWQIQYFHRIN-UHFFFAOYSA-N 0 0 540.730 4.837 1 0 KJAFRN CN(Cc1ccccc1Cl)C(=O)[C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1 ZINC000073197889 562735494 /nfs/dbraw/zinc/73/54/94/562735494.db2.gz PRZIIYNMJNNPKB-XMMPIXPASA-N 0 0 545.989 4.732 1 0 KJAFRN CS(=O)(=O)N(Cc1cn(Cc2cc3ccccc3nc2-c2ccccc2O)nn1)c1ccccc1I ZINC000073198022 562735559 /nfs/dbraw/zinc/73/55/59/562735559.db2.gz ATGGGWQMGIHHCJ-UHFFFAOYSA-N 0 0 611.465 4.818 1 0 KJAFRN CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(NC(=O)N3CCOCC3)c2)C1 ZINC000073198078 562735589 /nfs/dbraw/zinc/73/55/89/562735589.db2.gz NNLIBDONTYMYIU-NSCUHMNNSA-N 0 0 500.603 4.522 1 0 KJAFRN CCOC(=O)CCCSc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(Br)cc2s1 ZINC000073198196 562735638 /nfs/dbraw/zinc/73/56/38/562735638.db2.gz FLJNXHSXVZGAJD-UHFFFAOYSA-N 0 0 500.440 4.931 1 0 KJAFRN COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000073198241 562735601 /nfs/dbraw/zinc/73/56/01/562735601.db2.gz MLYPVRYOJSLKDJ-WJOKGBTCSA-N 0 0 635.161 4.678 1 0 KJAFRN O=C([C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cccc(Cl)c1)C1CC1 ZINC000073198661 562735847 /nfs/dbraw/zinc/73/58/47/562735847.db2.gz LDMFYBPPDCUCMV-GDLZYMKVSA-N 0 0 548.083 4.822 1 0 KJAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cccc(Cl)c2)C2CC2)cc1 ZINC000073198694 562735814 /nfs/dbraw/zinc/73/58/14/562735814.db2.gz GVMJKMTWOIAJKV-GDLZYMKVSA-N 0 0 578.109 4.830 1 0 KJAFRN CN(Cc1ccccc1Cl)C(=O)[C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1 ZINC000073198712 562735827 /nfs/dbraw/zinc/73/58/27/562735827.db2.gz QRFHLOJNZMQBFW-AREMUKBSSA-N 0 0 526.464 4.968 1 0 KJAFRN COCCCc1cc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c(Cl)cn1 ZINC000073198806 562735888 /nfs/dbraw/zinc/73/58/88/562735888.db2.gz UAPCWYNKKCOOKE-JGCGQSQUSA-N 0 0 621.178 4.796 1 0 KJAFRN O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CCNCC(F)F)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000073198888 562735869 /nfs/dbraw/zinc/73/58/69/562735869.db2.gz ANANIBOXRQGGII-GDLZYMKVSA-N 0 0 625.116 4.590 1 0 KJAFRN COc1c(C)nccc1CN(C(=O)[C@H]1CNCC(=O)N1c1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1)C1CC1 ZINC000073199108 562735925 /nfs/dbraw/zinc/73/59/25/562735925.db2.gz MSUYCICPTOFOHX-HHHXNRCGSA-N 0 0 613.542 4.968 1 0 KJAFRN COc1cccc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1C ZINC000073199121 562735910 /nfs/dbraw/zinc/73/59/10/562735910.db2.gz MCCGHSKVLQQARB-HHHXNRCGSA-N 0 0 581.635 4.929 1 0 KJAFRN Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(C)CCc3ccccc3)cc2)c(Cl)c1 ZINC000073199221 562735983 /nfs/dbraw/zinc/73/59/83/562735983.db2.gz WDQMABIJSAERGR-AREMUKBSSA-N 0 0 556.490 4.766 1 0 KJAFRN Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(C)CCCc3ccccc3)cn2)c(Cl)c1 ZINC000073199298 562735992 /nfs/dbraw/zinc/73/59/92/562735992.db2.gz QCOWIGRFXWVMJA-RUZDIDTESA-N 0 0 571.505 4.551 1 0 KJAFRN O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)cc1)c1ccccc1 ZINC000073199697 562736035 /nfs/dbraw/zinc/73/60/35/562736035.db2.gz SAUVQHLTLASUCM-RUZDIDTESA-N 0 0 552.458 4.846 1 0 KJAFRN CCOC(=O)Cn1cnc2c1c(Br)c(Br)c(Br)c2Br ZINC000073199825 562736074 /nfs/dbraw/zinc/73/60/74/562736074.db2.gz QAUONICIQJBNKA-UHFFFAOYSA-N 0 0 519.813 4.649 1 0 KJAFRN CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ccccn2c(=O)c1-c1ccc(O)cc1 ZINC000073220726 562736311 /nfs/dbraw/zinc/73/63/11/562736311.db2.gz WTTATJOVBZKTFT-GOSISDBHSA-N 0 0 605.610 4.792 1 0 KJAFRN CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ncccn2c1-c1ccc(O)cc1 ZINC000073221486 562736324 /nfs/dbraw/zinc/73/63/24/562736324.db2.gz VYWCUZFFVUDIMG-QGZVFWFLSA-N 0 0 578.588 4.827 1 0 KJAFRN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Br)CC1 ZINC000073222055 562736341 /nfs/dbraw/zinc/73/63/41/562736341.db2.gz ZTCCASYNHFMINC-UHFFFAOYSA-N 0 0 511.404 4.708 1 0 KJAFRN COc1cc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)cc(OC)c1OC ZINC000073223979 562736566 /nfs/dbraw/zinc/73/65/66/562736566.db2.gz VAXQJXIPQDFFDE-UHFFFAOYSA-N 0 0 528.627 4.556 1 0 KJAFRN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000073224021 562736561 /nfs/dbraw/zinc/73/65/61/562736561.db2.gz QQPQBKVBJGIUKF-UHFFFAOYSA-N 0 0 511.404 4.708 1 0 KJAFRN COC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(C1)Nc1ccccc1N1C(C(=O)OC)=NN(c3ccc(Cl)cc3)[C@H]12 ZINC000073224110 562736547 /nfs/dbraw/zinc/73/65/47/562736547.db2.gz KZAKTKGYSAAFEH-SVBPBHIXSA-N 0 0 565.417 4.694 1 0 KJAFRN COC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(C1)Nc1ccccc1N1C(C(=O)OC)=NN(c3ccc(Cl)cc3)[C@H]12 ZINC000073224111 562736573 /nfs/dbraw/zinc/73/65/73/562736573.db2.gz KZAKTKGYSAAFEH-RRPNLBNLSA-N 0 0 565.417 4.694 1 0 KJAFRN COC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(C1)Nc1ccccc1N1C(C(=O)OC)=NN(c3ccc(Cl)cc3)[C@@H]12 ZINC000073224112 562736585 /nfs/dbraw/zinc/73/65/85/562736585.db2.gz KZAKTKGYSAAFEH-SXOMAYOGSA-N 0 0 565.417 4.694 1 0 KJAFRN COC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(C1)Nc1ccccc1N1C(C(=O)OC)=NN(c3ccc(Cl)cc3)[C@@H]12 ZINC000073224113 562736565 /nfs/dbraw/zinc/73/65/65/562736565.db2.gz KZAKTKGYSAAFEH-KAYWLYCHSA-N 0 0 565.417 4.694 1 0 KJAFRN COc1ccc(N(Cc2ccc3c(n2)C=CC(C)(C)O3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000073224904 562736780 /nfs/dbraw/zinc/73/67/80/562736780.db2.gz DRPQQZHCJVUGSC-UHFFFAOYSA-N 0 0 526.611 4.696 1 0 KJAFRN CC(C)(CO)Nc1nc2sc(C(N)=O)c(N)c2c(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000073225059 562736790 /nfs/dbraw/zinc/73/67/90/562736790.db2.gz HRGJRSOYRDLURW-UHFFFAOYSA-N 0 0 559.574 4.885 1 0 KJAFRN CC(=O)C1=NN(c2ccccc2)[C@@H]2[C@H]3N(c4ccccc4)N=C(C(C)=O)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000073240184 562736869 /nfs/dbraw/zinc/73/68/69/562736869.db2.gz CBGRAJFZKIACPM-LOYHVIPDSA-N 0 0 515.577 4.806 1 0 KJAFRN CC(=O)C1=NN(c2ccccc2)[C@H]2[C@@H]3N(c4ccccc4)N=C(C(C)=O)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000073240186 562736849 /nfs/dbraw/zinc/73/68/49/562736849.db2.gz CBGRAJFZKIACPM-KYJUHHDHSA-N 0 0 515.577 4.806 1 0 KJAFRN COC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2[C@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OC)N3c3c(C)cccc3N12 ZINC000073240735 562736940 /nfs/dbraw/zinc/73/69/40/562736940.db2.gz HXLOBGOKFLYSBC-JWQCQUIFSA-N 0 0 565.417 4.594 1 0 KJAFRN COC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OC)N3c3c(C)cccc3N12 ZINC000073240737 562736934 /nfs/dbraw/zinc/73/69/34/562736934.db2.gz HXLOBGOKFLYSBC-DQEYMECFSA-N 0 0 565.417 4.594 1 0 KJAFRN CN(C)P(=O)(Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1)N(C)C ZINC000073241224 562736917 /nfs/dbraw/zinc/73/69/17/562736917.db2.gz FAZQXRXLWNQGAS-AREMUKBSSA-N 0 0 539.569 4.878 1 0 KJAFRN CCOC(=O)CC[C@H](NC(=O)Cc1ccc(Nc2nc3ccccc3nc2-c2ccccc2)cc1)C(=O)OCC ZINC000073258156 562737051 /nfs/dbraw/zinc/73/70/51/562737051.db2.gz WZCBNBWAOVPNEJ-SANMLTNESA-N 0 0 540.620 4.974 1 0 KJAFRN Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(Cl)cc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Cl ZINC000073258686 562737139 /nfs/dbraw/zinc/73/71/39/562737139.db2.gz KKANRNIZSNJXFG-UHFFFAOYSA-N 0 0 522.502 4.559 1 0 KJAFRN COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3cnc5ccccc5c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000073259138 562737183 /nfs/dbraw/zinc/73/71/83/562737183.db2.gz WGVCJBRLEDPWPV-QGQKXLEHSA-N 0 0 526.545 4.774 1 0 KJAFRN CCCCc1nc(CCC)c(CCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073278024 562737329 /nfs/dbraw/zinc/73/73/29/562737329.db2.gz WSQDSEVEVJGYRX-UHFFFAOYSA-N 0 0 528.657 4.930 1 0 KJAFRN CCCCc1nc(C)c(CCC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000073292691 562737552 /nfs/dbraw/zinc/73/75/52/562737552.db2.gz RICHPERLJGLZQU-UHFFFAOYSA-N 0 0 539.684 4.735 1 0 KJAFRN Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(Cl)cc(-c2cccc(C[NH+]3CCN(C)CC3)c2)cc1Cl ZINC000073293918 562737593 /nfs/dbraw/zinc/73/75/93/562737593.db2.gz GMUQZULJZPZDRX-UHFFFAOYSA-N 0 0 522.502 4.559 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(-c3ccc(OC)c(C)c3)cc2)NC(=O)O[C@H]2CCOC2)cc1 ZINC000073294836 562737660 /nfs/dbraw/zinc/73/76/60/562737660.db2.gz OAIWAGBCECSILT-RUHGTMQNSA-N 0 0 640.799 4.813 1 0 KJAFRN COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(N)(=O)=O)cc3)c3ccc4c(c3)OCO4)ccc2c1 ZINC000073295051 562737668 /nfs/dbraw/zinc/73/76/68/562737668.db2.gz PHCGQZIQCJXHEJ-MHZLTWQESA-N 0 0 532.618 4.970 1 0 KJAFRN COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(N)(=O)=O)cc3)c3ccc4c(c3)OCO4)ccc2c1 ZINC000073295054 562737654 /nfs/dbraw/zinc/73/76/54/562737654.db2.gz PHCGQZIQCJXHEJ-HHHXNRCGSA-N 0 0 532.618 4.970 1 0 KJAFRN COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(N)(=O)=O)cc3)c3ccc(O)cc3)ccc2c1 ZINC000073295057 562737650 /nfs/dbraw/zinc/73/76/50/562737650.db2.gz OSIVUHGONQBIFR-NDEPHWFRSA-N 0 0 504.608 4.947 1 0 KJAFRN COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(N)(=O)=O)cc3)c3ccc(O)cc3)ccc2c1 ZINC000073295059 562737639 /nfs/dbraw/zinc/73/76/39/562737639.db2.gz OSIVUHGONQBIFR-MUUNZHRXSA-N 0 0 504.608 4.947 1 0 KJAFRN CCCn1c2[nH]c(-c3cc(OCc4nc5c(cc(C(F)(F)F)cc5C(F)(F)F)[nH]4)nn3C)nc2c(=O)n(CCC)c1=O ZINC000073310423 562737796 /nfs/dbraw/zinc/73/77/96/562737796.db2.gz RSOSRONOSYJDHN-UHFFFAOYSA-N 0 0 598.508 4.600 1 0 KJAFRN CCOC(=O)c1cn(Cc2cn(-c3ccnc4cc(Cl)ccc43)nn2)c2cc(Cl)c(F)cc2c1=O ZINC000073310738 562737817 /nfs/dbraw/zinc/73/78/17/562737817.db2.gz OEOPWOCMEMIXIO-UHFFFAOYSA-N 0 0 512.328 4.801 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(-c3ccc(C(C)=O)cc3)cc2)NC(=O)O[C@H]2CCOC2)cc1 ZINC000073312181 562737886 /nfs/dbraw/zinc/73/78/86/562737886.db2.gz FEFXJUXRIUXOJE-FLPLPDKSSA-N 0 0 638.783 4.699 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(-c3ccc(F)cc3)cc2)NC(=O)O[C@H]2CCOC2)cc1 ZINC000073314657 562738009 /nfs/dbraw/zinc/73/80/09/562738009.db2.gz NOIPUSAZHHTPGM-LHGWWSMPSA-N 0 0 614.736 4.635 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NS(=O)(=O)c3cccc5ccccc53)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000073314838 562738012 /nfs/dbraw/zinc/73/80/12/562738012.db2.gz HHGPXXVEFWKXIH-GEYQZXRLSA-N 0 0 603.649 4.549 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(-c3ccsc3)cc2)NC(=O)O[C@H]2CCOC2)cc1 ZINC000073315338 562738086 /nfs/dbraw/zinc/73/80/86/562738086.db2.gz HUQLSAAHHJKBQN-PIZZNKLWSA-N 0 0 602.775 4.558 1 0 KJAFRN CCCn1c2[nH]c(-c3cc(OCc4nc5c(cc(C(F)(F)F)cc5C(F)(F)F)[nH]4)no3)nc2c(=O)n(CCC)c1=O ZINC000073315788 562738068 /nfs/dbraw/zinc/73/80/68/562738068.db2.gz CGEMHBASDGRUSC-UHFFFAOYSA-N 0 0 585.465 4.854 1 0 KJAFRN COc1ccc(OC)c(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(OC)ccc3OC)C2c2ccco2)c1 ZINC000073351323 562738292 /nfs/dbraw/zinc/73/82/92/562738292.db2.gz DZCYBSHFCVALIQ-UHFFFAOYSA-N 0 0 533.581 4.826 1 0 KJAFRN CC[C@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCCC4)cc3OC)nc2N1C1CCCC1 ZINC000073353550 562738318 /nfs/dbraw/zinc/73/83/18/562738318.db2.gz QPTZMGCTRHKKJD-QFIPXVFZSA-N 0 0 506.651 4.795 1 0 KJAFRN CCCc1ccccc1NC(=O)[C@H](COC(C)(C)C)NC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000073387883 562738522 /nfs/dbraw/zinc/73/85/22/562738522.db2.gz HNEPVJCTGZOQGS-FLVGQNKLSA-N 0 0 509.628 4.515 1 0 KJAFRN COc1c(F)c(F)cc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)c1F ZINC000073388507 562738577 /nfs/dbraw/zinc/73/85/77/562738577.db2.gz XBOBBRMBDMCXHU-UHFFFAOYSA-N 0 0 522.545 4.956 1 0 KJAFRN CCOC(=O)CC[C@H](NC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1)C(=O)OCC ZINC000073389570 562738591 /nfs/dbraw/zinc/73/85/91/562738591.db2.gz NJFOSEYKVHPKKA-FQEVSTJZSA-N 0 0 590.555 4.574 1 0 KJAFRN CCN(C)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CCC3)c2)N2CCN(Cc3cccnc3)CC2)cc1 ZINC000073390832 562738657 /nfs/dbraw/zinc/73/86/57/562738657.db2.gz CCJQAHGQHFUIAD-SSEXGKCCSA-N 0 0 525.697 4.819 1 0 KJAFRN c1ccc(C23NC(=Nc4nc5ccccc5[nH]4)NC2(c2ccccc2)NC(=Nc2nc4ccccc4[nH]2)N3)cc1 ZINC000079112460 562738842 /nfs/dbraw/zinc/73/88/42/562738842.db2.gz PCDSBNXNTDTPKY-UHFFFAOYSA-N 0 0 524.592 4.588 1 0 KJAFRN CC(C)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@H](OCc2ccccc2)c2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000082080834 562738858 /nfs/dbraw/zinc/73/88/58/562738858.db2.gz BQBGCEJLFHWDKY-QJZZFSCZSA-N 0 0 739.958 4.715 1 0 KJAFRN CC(C)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@H](OCc2ccccc2)c2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000082080835 562738873 /nfs/dbraw/zinc/73/88/73/562738873.db2.gz BQBGCEJLFHWDKY-JVZUUUMSSA-N 0 0 739.958 4.715 1 0 KJAFRN CC(C)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](OCc2ccccc2)c2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000082080836 562738859 /nfs/dbraw/zinc/73/88/59/562738859.db2.gz BQBGCEJLFHWDKY-BAWVVKEJSA-N 0 0 739.958 4.715 1 0 KJAFRN CC(C)C[C@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](OCc2ccccc2)c2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000082080837 562738877 /nfs/dbraw/zinc/73/88/77/562738877.db2.gz BQBGCEJLFHWDKY-BFGQYWEMSA-N 0 0 739.958 4.715 1 0 KJAFRN CC[C@@H](C)n1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(OC)cc4)cn3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000082136039 562738923 /nfs/dbraw/zinc/73/89/23/562738923.db2.gz BBOGRLWMDASLTO-ZHBSTKLQSA-N 0 0 653.784 4.938 1 0 KJAFRN CC[C@H](C)n1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(OC)cc4)cn3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000082136042 562738898 /nfs/dbraw/zinc/73/88/98/562738898.db2.gz BBOGRLWMDASLTO-NPJCXYKHSA-N 0 0 653.784 4.938 1 0 KJAFRN C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c1nc(NO)nc2Cl ZINC000082136643 562738977 /nfs/dbraw/zinc/73/89/77/562738977.db2.gz XCKVMFODMHHTHR-ZLZVUVTQSA-N 0 0 644.040 4.877 1 0 KJAFRN CC[C@@H](C)n1cc(NC(=O)c2ccc(/C=C/c3ccc(OC)cc3)cn2)cc1C(=O)Nc1cc(C(=O)NCCN2CCOCC2)n(C)c1 ZINC000082136647 562738972 /nfs/dbraw/zinc/73/89/72/562738972.db2.gz AFRWRFKVGUMTIW-ZHBSTKLQSA-N 0 0 653.784 4.938 1 0 KJAFRN CC[C@H](C)n1cc(NC(=O)c2ccc(/C=C/c3ccc(OC)cc3)cn2)cc1C(=O)Nc1cc(C(=O)NCCN2CCOCC2)n(C)c1 ZINC000082136648 562738960 /nfs/dbraw/zinc/73/89/60/562738960.db2.gz AFRWRFKVGUMTIW-NPJCXYKHSA-N 0 0 653.784 4.938 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000082136665 562739019 /nfs/dbraw/zinc/73/90/19/562739019.db2.gz PKEYNGIZSMNNCK-DJHRMAOASA-N 0 0 642.705 4.668 1 0 KJAFRN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)OC)OCO3)OCO2 ZINC000082138008 562739121 /nfs/dbraw/zinc/73/91/21/562739121.db2.gz TTZSJLFQNNEQKJ-NKVSQWTQSA-N 0 0 651.602 4.557 1 0 KJAFRN COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)Oc1ccc(C=C4SC(=O)NC4=O)cc1Br)OCO3)OCO2 ZINC000082138083 562739173 /nfs/dbraw/zinc/73/91/73/562739173.db2.gz JXANRXRCJXVIIO-GXHLCREISA-N 0 0 686.445 4.920 1 0 KJAFRN COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)Oc1ccc(Cl)cc1C=C1SC(=O)NC1=O)OCO3)OCO2 ZINC000082139840 562739249 /nfs/dbraw/zinc/73/92/49/562739249.db2.gz BZCUCCVRDFDPLS-FBCYGCLPSA-N 0 0 641.994 4.811 1 0 KJAFRN CNC(=O)OCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082140011 562739321 /nfs/dbraw/zinc/73/93/21/562739321.db2.gz VSUQYQPRPMKQPY-WJOKGBTCSA-N 0 0 665.187 4.686 1 0 KJAFRN COCCCc1cc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3cccc(Cl)c3)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000082140049 562739332 /nfs/dbraw/zinc/73/93/32/562739332.db2.gz GNHISYXNSLUZLU-WJOKGBTCSA-N 0 0 641.596 4.713 1 0 KJAFRN CC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140090 562739309 /nfs/dbraw/zinc/73/93/09/562739309.db2.gz RRKCUJCFSBBQLZ-MUUNZHRXSA-N 0 0 675.013 4.940 1 0 KJAFRN O=C(Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1)NC1CC1 ZINC000082140180 562739369 /nfs/dbraw/zinc/73/93/69/562739369.db2.gz AJZXMNDGMYNMSY-MGBGTMOVSA-N 0 0 645.200 4.643 1 0 KJAFRN CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082140252 562739379 /nfs/dbraw/zinc/73/93/79/562739379.db2.gz JDSIFCYOJJNCPV-JGCGQSQUSA-N 0 0 649.188 4.720 1 0 KJAFRN CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082140255 562739403 /nfs/dbraw/zinc/73/94/03/562739403.db2.gz NVQMIWAWZWVZHQ-JGCGQSQUSA-N 0 0 663.215 4.509 1 0 KJAFRN CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082140338 562739385 /nfs/dbraw/zinc/73/93/85/562739385.db2.gz QDMSRKFJNFDBCS-SSEXGKCCSA-N 0 0 657.133 4.944 1 0 KJAFRN CNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082140363 562739412 /nfs/dbraw/zinc/73/94/12/562739412.db2.gz ZBCVYPQZEGIDAR-MUUNZHRXSA-N 0 0 643.106 4.553 1 0 KJAFRN CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140380 562739446 /nfs/dbraw/zinc/73/94/46/562739446.db2.gz CSSZMVWKVLYSHC-GDLZYMKVSA-N 0 0 689.040 4.983 1 0 KJAFRN COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082140411 562739468 /nfs/dbraw/zinc/73/94/68/562739468.db2.gz AUMFPJBSHXQRMT-WJOKGBTCSA-N 0 0 665.187 4.686 1 0 KJAFRN CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082140454 562739426 /nfs/dbraw/zinc/73/94/26/562739426.db2.gz VWBNWGMVZITYLM-MUUNZHRXSA-N 0 0 689.040 4.983 1 0 KJAFRN CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082140515 562739526 /nfs/dbraw/zinc/73/95/26/562739526.db2.gz VCZHFPBCNKDPJT-GDLZYMKVSA-N 0 0 657.133 4.944 1 0 KJAFRN O=C(CC(F)(F)F)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000082140566 562739503 /nfs/dbraw/zinc/73/95/03/562739503.db2.gz DPVPSGFYQGEZEL-GDLZYMKVSA-N 0 0 671.116 4.804 1 0 KJAFRN COc1cc(C2=NO[C@H](CO[C@@H]3O[C@H](Cn4c(SCc5ccccc5)nnc4-c4ccc(Cl)cc4)[C@@H](O)[C@H]3O)C2)cc(OC)c1OC ZINC000082140636 562739569 /nfs/dbraw/zinc/73/95/69/562739569.db2.gz ANLAWWBCUNETBR-DSFHEZFVSA-N 0 0 683.183 4.573 1 0 KJAFRN COc1cc(C2=NO[C@@H](CO[C@@H]3O[C@H](Cn4c(SCc5ccccc5)nnc4-c4ccc(Cl)cc4)[C@@H](O)[C@H]3O)C2)cc(OC)c1OC ZINC000082140639 562739577 /nfs/dbraw/zinc/73/95/77/562739577.db2.gz ANLAWWBCUNETBR-UMIJFZKPSA-N 0 0 683.183 4.573 1 0 KJAFRN COCCCc1cc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c(Cl)cn1 ZINC000082140653 562739561 /nfs/dbraw/zinc/73/95/61/562739561.db2.gz OXOMGZOAZUJESO-JGCGQSQUSA-N 0 0 651.204 4.804 1 0 KJAFRN CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082140893 562739586 /nfs/dbraw/zinc/73/95/86/562739586.db2.gz OXVWVPSFTCEPFV-JGCGQSQUSA-N 0 0 663.215 4.509 1 0 KJAFRN CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082140901 562739604 /nfs/dbraw/zinc/73/96/04/562739604.db2.gz BDIJOIBYUWGTTK-JGCGQSQUSA-N 0 0 663.215 4.857 1 0 KJAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CCNC(C)=O)ccc2Cl)C2CC2)cc1 ZINC000082140904 562739622 /nfs/dbraw/zinc/73/96/22/562739622.db2.gz VJQPLQSYPDDGCC-MGBGTMOVSA-N 0 0 663.215 4.509 1 0 KJAFRN O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000082149868 562739732 /nfs/dbraw/zinc/73/97/32/562739732.db2.gz OHXSDNZBUHXPTO-UHFFFAOYSA-N 0 0 521.583 4.568 1 0 KJAFRN O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000082149872 562739740 /nfs/dbraw/zinc/73/97/40/562739740.db2.gz HFEBCJCWQHGALD-UHFFFAOYSA-N 0 0 522.476 4.856 1 0 KJAFRN O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000082149875 562739739 /nfs/dbraw/zinc/73/97/39/562739739.db2.gz FYPCOSCSSZKVCB-UHFFFAOYSA-N 0 0 522.476 4.856 1 0 KJAFRN Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(C)Cc3ccccc3Cl)cn2)c(Cl)c1 ZINC000082150122 562739743 /nfs/dbraw/zinc/73/97/43/562739743.db2.gz OUJQXQIQFCPDQB-HSZRJFAPSA-N 0 0 577.896 4.771 1 0 KJAFRN COCCCc1cc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000082150134 562739752 /nfs/dbraw/zinc/73/97/52/562739752.db2.gz HPXXISGJNQHRQM-MUUNZHRXSA-N 0 0 693.028 4.516 1 0 KJAFRN CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082150581 562739813 /nfs/dbraw/zinc/73/98/13/562739813.db2.gz YCCVQQCRJJJCNI-JGCGQSQUSA-N 0 0 679.214 4.729 1 0 KJAFRN CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082150656 562739869 /nfs/dbraw/zinc/73/98/69/562739869.db2.gz PEXUIJYINXUEOG-GDLZYMKVSA-N 0 0 657.133 4.944 1 0 KJAFRN COc1cc(=O)oc(C2[C@H](c3ccc4c(c3)OCO4)[C@H](c3ccc4c(c3)OCO4)[C@H]2c2cc(OC)cc(=O)o2)c1 ZINC000082150675 562739873 /nfs/dbraw/zinc/73/98/73/562739873.db2.gz TVFKEDHLIOUCTR-LPOKLPNDSA-N 0 0 544.512 4.516 1 0 KJAFRN O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000082151080 562739914 /nfs/dbraw/zinc/73/99/14/562739914.db2.gz PRPLIAILFQHBKE-UHFFFAOYSA-N 0 0 557.563 4.846 1 0 KJAFRN COc1cc(=O)oc([C@@H]2[C@@H](c3ccc(OC)c(OC)c3)[C@H]3C(OC)=CC(=O)O[C@@]23/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000082151214 562739906 /nfs/dbraw/zinc/73/99/06/562739906.db2.gz HAIJOOHLJUJNNU-ZBPDXVSDSA-N 0 0 576.598 4.719 1 0 KJAFRN O=C([C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000082152460 562740051 /nfs/dbraw/zinc/74/00/51/562740051.db2.gz NOMOHZVIWZGMAU-GDLZYMKVSA-N 0 0 548.083 4.822 1 0 KJAFRN O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000082153155 562740166 /nfs/dbraw/zinc/74/01/66/562740166.db2.gz PSUSWJNHFKZGPK-UHFFFAOYSA-N 0 0 535.610 4.958 1 0 KJAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000082153387 562740160 /nfs/dbraw/zinc/74/01/60/562740160.db2.gz FGCSEHPQCASNOO-GDLZYMKVSA-N 0 0 578.109 4.830 1 0 KJAFRN O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000082153420 562740167 /nfs/dbraw/zinc/74/01/67/562740167.db2.gz LQZBZYLVDRSJLI-UHFFFAOYSA-N 0 0 502.058 4.593 1 0 KJAFRN COc1ccc(/C=C\c2cc(I)c(OC)c(I)c2)cc1O ZINC000082153636 562740215 /nfs/dbraw/zinc/74/02/15/562740215.db2.gz LDMKJXAAAZJBOK-ARJAWSKDSA-N 0 0 508.093 4.789 1 0 KJAFRN CNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082153834 562740216 /nfs/dbraw/zinc/74/02/16/562740216.db2.gz JTAITAANWYNYBM-HHHXNRCGSA-N 0 0 675.013 4.593 1 0 KJAFRN CCCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@](C)([C@@H]3[C@@H]3[C@H](C[C@H]4OC(C)=O)C3(C)C)[C@@H](OC(=O)c3ccccc3)[C@@]2(OC(C)=O)C[C@@H]1C ZINC000082153880 562740246 /nfs/dbraw/zinc/74/02/46/562740246.db2.gz OWSWMLHRWAIDBR-FKTGJEKHSA-N 0 0 668.780 4.826 1 0 KJAFRN CCCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000082153981 562740298 /nfs/dbraw/zinc/74/02/98/562740298.db2.gz DYMIBJQHUZZTNM-BUFPPZMGSA-N 0 0 513.619 4.943 1 0 KJAFRN O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000082154178 562740322 /nfs/dbraw/zinc/74/03/22/562740322.db2.gz HGJOYOZPRQCSRV-UHFFFAOYSA-N 0 0 535.610 4.958 1 0 KJAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CC(=O)NC3CC3)ccc2Cl)C2CC2)cc1 ZINC000082154332 562740320 /nfs/dbraw/zinc/74/03/20/562740320.db2.gz JKKYRDYUYYTFBL-MGBGTMOVSA-N 0 0 675.226 4.651 1 0 KJAFRN CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082154436 562740324 /nfs/dbraw/zinc/74/03/24/562740324.db2.gz JGRMHJTZDVTHDW-MGBGTMOVSA-N 0 0 633.189 4.500 1 0 KJAFRN Cc1cccc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1C ZINC000082154850 562740370 /nfs/dbraw/zinc/74/03/70/562740370.db2.gz IMWWAVJNTMIMIG-WJOKGBTCSA-N 0 0 541.692 4.785 1 0 KJAFRN O=C(NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1)C1CC1 ZINC000082155009 562740467 /nfs/dbraw/zinc/74/04/67/562740467.db2.gz CTIOHADSNJGWOF-MGBGTMOVSA-N 0 0 645.200 4.848 1 0 KJAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CNC(=O)C3CC3)ccc2Cl)C2CC2)cc1 ZINC000082155012 562740434 /nfs/dbraw/zinc/74/04/34/562740434.db2.gz NCSIENFUZXFPOO-MGBGTMOVSA-N 0 0 675.226 4.857 1 0 KJAFRN COC(=O)N1CCC(Cn2c3ccc(S(=O)(=O)CCCC(F)(F)F)cc3nc2C(C)(C)C)CC1 ZINC000082155158 562740457 /nfs/dbraw/zinc/74/04/57/562740457.db2.gz RGKOHNGIQMKDQR-UHFFFAOYSA-N 0 0 503.587 4.928 1 0 KJAFRN COc1cc2c(cc1OCCCCN1c3cccc4cccc(c34)S1(=O)=O)N=C[C@@H]1CCCN1C2=O ZINC000082155337 562740532 /nfs/dbraw/zinc/74/05/32/562740532.db2.gz XCWQQXJHQQTIJJ-IBGZPJMESA-N 0 0 505.596 4.537 1 0 KJAFRN O=C(NCc1ccccc1Cl)[C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1 ZINC000082155389 562740533 /nfs/dbraw/zinc/74/05/33/562740533.db2.gz CBMQWHVTMINPIM-RUZDIDTESA-N 0 0 512.437 4.626 1 0 KJAFRN Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(C)Cc3ccccc3)cc2)c(Cl)c1 ZINC000082155393 562740506 /nfs/dbraw/zinc/74/05/06/562740506.db2.gz DTHNIRSWCTYYRD-RUZDIDTESA-N 0 0 542.463 4.723 1 0 KJAFRN COC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082155527 562740559 /nfs/dbraw/zinc/74/05/59/562740559.db2.gz OUXPNJQTHVFQNY-JGCGQSQUSA-N 0 0 649.188 4.720 1 0 KJAFRN COC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)C2CC2)c1 ZINC000082155528 562740577 /nfs/dbraw/zinc/74/05/77/562740577.db2.gz FFPQFKNEGRJHGR-JGCGQSQUSA-N 0 0 679.214 4.729 1 0 KJAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cccc(C)c2C)C2CC2)cc1 ZINC000082155537 562740554 /nfs/dbraw/zinc/74/05/54/562740554.db2.gz QFZKCDOPNCIAHY-WJOKGBTCSA-N 0 0 571.718 4.794 1 0 KJAFRN O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CNCC(F)F)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000082155868 562740620 /nfs/dbraw/zinc/74/06/20/562740620.db2.gz LZAYFDROWVBIOL-MUUNZHRXSA-N 0 0 611.089 4.548 1 0 KJAFRN CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c1 ZINC000082155911 562740641 /nfs/dbraw/zinc/74/06/41/562740641.db2.gz DJMGYBJILSOKPL-JGCGQSQUSA-N 0 0 633.189 4.500 1 0 KJAFRN CCOC(=O)Cn1c(N(C)C)nc2c1c(Br)c(Br)c(Br)c2Br ZINC000082156095 562740669 /nfs/dbraw/zinc/74/06/69/562740669.db2.gz SRYWKJBCYDRPOF-UHFFFAOYSA-N 0 0 562.882 4.715 1 0 KJAFRN O=C(CC(F)(F)F)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000082156137 562740650 /nfs/dbraw/zinc/74/06/50/562740650.db2.gz MKAOUZRKJVSSPG-MUUNZHRXSA-N 0 0 657.089 4.762 1 0 KJAFRN COc1cc2c(cc1OCCCCCN1c3cccc4cccc(c34)S1(=O)=O)N=C[C@@H]1CCCN1C2=O ZINC000082156231 562740678 /nfs/dbraw/zinc/74/06/78/562740678.db2.gz DEXLPMLZBBXCFM-FQEVSTJZSA-N 0 0 519.623 4.927 1 0 KJAFRN CC(C)(C)OCC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000082156442 562740659 /nfs/dbraw/zinc/74/06/59/562740659.db2.gz GDSFJOSIDFWQKC-JGCGQSQUSA-N 0 0 675.226 4.667 1 0 KJAFRN CN(CCCc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1 ZINC000082156880 562740798 /nfs/dbraw/zinc/74/07/98/562740798.db2.gz DNJWDSHOEITFPO-MUUNZHRXSA-N 0 0 520.073 4.748 1 0 KJAFRN CN(CCCc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1 ZINC000082156884 562740801 /nfs/dbraw/zinc/74/08/01/562740801.db2.gz QVNWJICHAYTPMP-AREMUKBSSA-N 0 0 539.598 4.512 1 0 KJAFRN CC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)C2CC2)c1 ZINC000082157097 562740827 /nfs/dbraw/zinc/74/08/27/562740827.db2.gz ALBGJXHBKNHMHG-GDLZYMKVSA-N 0 0 643.106 4.901 1 0 KJAFRN CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000082157225 562740880 /nfs/dbraw/zinc/74/08/80/562740880.db2.gz KODSNVHUGJOVNW-MUUNZHRXSA-N 0 0 689.040 4.983 1 0 KJAFRN COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000082157496 562740891 /nfs/dbraw/zinc/74/08/91/562740891.db2.gz MHSZXULKZQUNDC-SSEXGKCCSA-N 0 0 590.120 4.772 1 0 KJAFRN CCOC(=O)c1c(Nc2ccc(I)cc2F)sc2c1CC(C)(C)CNC2=O ZINC000082157590 562740945 /nfs/dbraw/zinc/74/09/45/562740945.db2.gz QXINTPBKWYTXMI-UHFFFAOYSA-N 0 0 502.349 4.724 1 0 KJAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](c3cc(Br)oc3Br)C[C@@]12C ZINC000082158013 562741033 /nfs/dbraw/zinc/74/10/33/562741033.db2.gz USTSOTFFGSVWIP-LNYQLWRHSA-N 0 0 590.261 4.525 1 0 KJAFRN CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1sc(-c2ccncc2)nc1C ZINC000082158142 562741048 /nfs/dbraw/zinc/74/10/48/562741048.db2.gz SLSONMHBOHPNMK-UHFFFAOYSA-N 0 0 507.572 4.705 1 0 KJAFRN O=S1(=O)N(CCN2CCN(Cc3cccc(Oc4ccccc4)c3)S2(=O)=O)CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000082158492 562741127 /nfs/dbraw/zinc/74/11/27/562741127.db2.gz LIFFXNNNDLBPQQ-UHFFFAOYSA-N 0 0 634.780 4.696 1 0 KJAFRN CCN1CC[NH+](C[C@H]2S[C@@H](c3ccccc3C(=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165117 562741390 /nfs/dbraw/zinc/74/13/90/562741390.db2.gz OMGLRXVFYXBMQO-FJQKOURKSA-N 0 0 735.871 4.808 1 0 KJAFRN CCN1CC[NH+](C[C@@H]2S[C@@H](c3ccccc3C(=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165122 562741384 /nfs/dbraw/zinc/74/13/84/562741384.db2.gz OMGLRXVFYXBMQO-VBTAUBHQSA-N 0 0 735.871 4.808 1 0 KJAFRN CCN1CC[NH+](C[C@H]2S[C@H](c3ccccc3C(=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165126 562741393 /nfs/dbraw/zinc/74/13/93/562741393.db2.gz OMGLRXVFYXBMQO-QIKUIUABSA-N 0 0 735.871 4.808 1 0 KJAFRN CCN1CC[NH+](C[C@@H]2S[C@H](c3ccccc3C(=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165129 562741424 /nfs/dbraw/zinc/74/14/24/562741424.db2.gz OMGLRXVFYXBMQO-AFPLUKJUSA-N 0 0 735.871 4.808 1 0 KJAFRN COc1cc(C(=O)N(Cc2cccnc2)C(=S)N(Cc2cccnc2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000082165580 562741411 /nfs/dbraw/zinc/74/14/11/562741411.db2.gz KTECNGMFQJDNCZ-UHFFFAOYSA-N 0 0 646.722 4.798 1 0 KJAFRN CCCC(=O)O[C@@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000082181778 562742004 /nfs/dbraw/zinc/74/20/04/562742004.db2.gz MVHMLFUBYIRNJA-IJLUTSLNSA-N 0 0 659.042 4.573 1 0 KJAFRN CCCC(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000082181780 562741948 /nfs/dbraw/zinc/74/19/48/562741948.db2.gz MVHMLFUBYIRNJA-UTUOFQBUSA-N 0 0 659.042 4.573 1 0 KJAFRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)cc2)cc1 ZINC000082182044 562742059 /nfs/dbraw/zinc/74/20/59/562742059.db2.gz BNGNMYJAUQBBGL-NEVPTIFISA-N 0 0 702.738 4.656 1 0 KJAFRN CCNC(=S)/N=c1\sc(NCC)nc2sc3c(c21)CCN(N1CCc2c(sc4nc(NCC)s/c(=N\C(=S)NCC)c24)C1)C3 ZINC000082182056 562742065 /nfs/dbraw/zinc/74/20/65/562742065.db2.gz URHUUXHRBWOPQX-YWQXDYITSA-N 0 0 705.068 4.814 1 0 KJAFRN COC(=O)/C=C(\CC(=O)OC)n1nnnc1[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@H]21 ZINC000082182098 562742050 /nfs/dbraw/zinc/74/20/50/562742050.db2.gz SSRNEWVNIIULLI-SLAJDTBCSA-N 0 0 638.721 4.882 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NS(=O)(=O)c3cc(Cl)sc3Cl)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082182193 562742174 /nfs/dbraw/zinc/74/21/74/562742174.db2.gz SPYDOIPXQFPMDL-UIJCFEMGSA-N 0 0 628.508 4.764 1 0 KJAFRN Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCCSCC2)cc1 ZINC000082185098 562742217 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KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)COc2ccc3c(ccn3Cc3ccccc3)c2)cc1OC ZINC000084596206 562743610 /nfs/dbraw/zinc/74/36/10/562743610.db2.gz VMWIHPKRBGMNQC-RUZDIDTESA-N 0 0 552.693 4.793 1 0 KJAFRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1 ZINC000084596233 562743639 /nfs/dbraw/zinc/74/36/39/562743639.db2.gz ODPDOXLPOXFDCP-UHFFFAOYSA-N 0 0 500.020 4.775 1 0 KJAFRN Cc1nc(NCCCNC(=O)C2CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000084596322 562743691 /nfs/dbraw/zinc/74/36/91/562743691.db2.gz TVLWTWQWEDRMOO-LFYBBSHMSA-N 0 0 513.520 4.817 1 0 KJAFRN Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 ZINC000084596562 562743697 /nfs/dbraw/zinc/74/36/97/562743697.db2.gz NATQXVOVEHJDPW-UHFFFAOYSA-N 0 0 522.049 4.838 1 0 KJAFRN Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 ZINC000084596563 562743738 /nfs/dbraw/zinc/74/37/38/562743738.db2.gz GVLCVOHVQYOSEG-UHFFFAOYSA-N 0 0 516.001 4.572 1 0 KJAFRN CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](Cc5sc(N)nc5C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000084596641 562743747 /nfs/dbraw/zinc/74/37/47/562743747.db2.gz XEWHWHKKXSHJJY-WYCGJLPHSA-N 0 0 600.822 4.936 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 ZINC000084596644 562743771 /nfs/dbraw/zinc/74/37/71/562743771.db2.gz MFRXDBPALKWKBL-UHFFFAOYSA-N 0 0 545.648 4.865 1 0 KJAFRN COc1cc(-c2cn(CC(=O)N(CC(F)(F)F)c3ccc4c(c3)CCC4)nn2)ccc1-n1cnc(C)c1 ZINC000084596652 562743780 /nfs/dbraw/zinc/74/37/80/562743780.db2.gz NXGGBSFUWAIFBF-UHFFFAOYSA-N 0 0 510.520 4.532 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 ZINC000084596676 562743766 /nfs/dbraw/zinc/74/37/66/562743766.db2.gz ULAVUYGQHLPDHT-UHFFFAOYSA-N 0 0 559.675 4.543 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 ZINC000084596677 562743787 /nfs/dbraw/zinc/74/37/87/562743787.db2.gz HNEQLTHWJIJIPZ-UHFFFAOYSA-N 0 0 559.675 4.543 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(F)cc4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 ZINC000084596678 562743755 /nfs/dbraw/zinc/74/37/55/562743755.db2.gz PDBLNPBHCGQRPM-UHFFFAOYSA-N 0 0 559.675 4.543 1 0 KJAFRN O=C(Cc1c[nH]cn1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000084596768 562743820 /nfs/dbraw/zinc/74/38/20/562743820.db2.gz SOUAEJKSAIJWNB-DEOSSOPVSA-N 0 0 504.974 4.738 1 0 KJAFRN Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(CO)ccn2)cc2c[nH]nc21 ZINC000084602431 562744006 /nfs/dbraw/zinc/74/40/06/562744006.db2.gz DJOXYUXNVWJCNJ-MHZLTWQESA-N 0 0 540.624 4.691 1 0 KJAFRN Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(CO)ccn2)cc2c[nH]nc21 ZINC000084602433 562744066 /nfs/dbraw/zinc/74/40/66/562744066.db2.gz DJOXYUXNVWJCNJ-HHHXNRCGSA-N 0 0 540.624 4.691 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4ccc5occc5c4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000084603532 562744195 /nfs/dbraw/zinc/74/41/95/562744195.db2.gz QBBLAYMBCKEABP-CGQTXMLISA-N 0 0 636.727 4.626 1 0 KJAFRN CC(C)c1ccc(NC(=O)c2ccnc(NC(=O)C(C)(C)C)c2)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084604981 562744334 /nfs/dbraw/zinc/74/43/34/562744334.db2.gz LNWDUELLFMKRKP-UHFFFAOYSA-N 0 0 501.635 4.559 1 0 KJAFRN COC(=O)[C@@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(F)cc1 ZINC000084614542 562744414 /nfs/dbraw/zinc/74/44/14/562744414.db2.gz AOXYBCFEJHHGJC-QSRYBZNWSA-N 0 0 559.612 4.772 1 0 KJAFRN COC(=O)[C@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(F)cc1 ZINC000084614545 562744383 /nfs/dbraw/zinc/74/43/83/562744383.db2.gz AOXYBCFEJHHGJC-DBQZHCBRSA-N 0 0 559.612 4.772 1 0 KJAFRN Cc1cc(C[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc(C=O)cn2)cc2c[nH]nc21 ZINC000084614773 562744381 /nfs/dbraw/zinc/74/43/81/562744381.db2.gz DGLCQJOSRUUFHF-DEOSSOPVSA-N 0 0 536.636 4.834 1 0 KJAFRN Cc1cc(C[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc(C=O)cn2)cc2c[nH]nc21 ZINC000084614775 562744407 /nfs/dbraw/zinc/74/44/07/562744407.db2.gz DGLCQJOSRUUFHF-XMMPIXPASA-N 0 0 536.636 4.834 1 0 KJAFRN Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c[nH]nc21 ZINC000084614788 562744372 /nfs/dbraw/zinc/74/43/72/562744372.db2.gz HYLCZFDYURFPAG-SANMLTNESA-N 0 0 509.614 4.772 1 0 KJAFRN Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c[nH]nc21 ZINC000084614791 562744412 /nfs/dbraw/zinc/74/44/12/562744412.db2.gz HYLCZFDYURFPAG-AREMUKBSSA-N 0 0 509.614 4.772 1 0 KJAFRN COC(=O)[C@@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(OC)cc1 ZINC000084614964 562744421 /nfs/dbraw/zinc/74/44/21/562744421.db2.gz MKJRZNWQZAYTDI-JCOSREKMSA-N 0 0 571.648 4.642 1 0 KJAFRN COC(=O)[C@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(OC)cc1 ZINC000084614966 562744457 /nfs/dbraw/zinc/74/44/57/562744457.db2.gz MKJRZNWQZAYTDI-DDXODTPOSA-N 0 0 571.648 4.642 1 0 KJAFRN COC(=O)[C@@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccccc1 ZINC000084615424 562744460 /nfs/dbraw/zinc/74/44/60/562744460.db2.gz PGAMVBKMYFXFLV-DEIPZHPTSA-N 0 0 541.622 4.633 1 0 KJAFRN COC(=O)[C@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccccc1 ZINC000084615426 562744461 /nfs/dbraw/zinc/74/44/61/562744461.db2.gz PGAMVBKMYFXFLV-FQFCXHBISA-N 0 0 541.622 4.633 1 0 KJAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C(=O)Nc2nccs2)c1 ZINC000084615544 562744467 /nfs/dbraw/zinc/74/44/67/562744467.db2.gz FTAUVKBULYPEQD-UHFFFAOYSA-N 0 0 529.640 4.554 1 0 KJAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C(=O)Nc2ncc(F)s2)c1 ZINC000084615546 562744479 /nfs/dbraw/zinc/74/44/79/562744479.db2.gz PIBYTEJAZPZECT-UHFFFAOYSA-N 0 0 547.630 4.693 1 0 KJAFRN Cc1cc(C[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc(CO)cn2)cc2c[nH]nc21 ZINC000084615583 562744494 /nfs/dbraw/zinc/74/44/94/562744494.db2.gz KOPBHMDKKLEDAD-DEOSSOPVSA-N 0 0 538.652 4.514 1 0 KJAFRN Cc1cc(C[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccc(CO)cn2)cc2c[nH]nc21 ZINC000084615585 562744490 /nfs/dbraw/zinc/74/44/90/562744490.db2.gz KOPBHMDKKLEDAD-XMMPIXPASA-N 0 0 538.652 4.514 1 0 KJAFRN COc1cc(-c2cn([C@H]3C[C@@H](C(F)(F)F)CCN(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084616181 562744560 /nfs/dbraw/zinc/74/45/60/562744560.db2.gz XGCGHYSIKNAJJF-URXFXBBRSA-N 0 0 524.547 4.990 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4cc(F)cc(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 ZINC000084616745 562744655 /nfs/dbraw/zinc/74/46/55/562744655.db2.gz BFSIRYBEOWYNCV-UHFFFAOYSA-N 0 0 577.665 4.682 1 0 KJAFRN CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](OC(C)=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O ZINC000084616833 562744697 /nfs/dbraw/zinc/74/46/97/562744697.db2.gz BRZFJUKYOFVEPP-HDBJJFLGSA-N 0 0 644.802 4.865 1 0 KJAFRN CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)COc4ccccc4)CC3=CC[C@]12O ZINC000084617220 562744816 /nfs/dbraw/zinc/74/48/16/562744816.db2.gz ZHGKBJRZURKTIE-IMMTWVGMSA-N 0 0 624.771 4.614 1 0 KJAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CC[C@H](F)C3)cc2)cc(C(=O)Nc2cc(C)n(C)n2)c1 ZINC000084617230 562744856 /nfs/dbraw/zinc/74/48/56/562744856.db2.gz KIEQDRSOYHECPG-NRFANRHFSA-N 0 0 542.633 4.851 1 0 KJAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CC[C@H](F)C3)cc2)cc(C(=O)Nc2ccn(C)n2)c1 ZINC000084617231 562744815 /nfs/dbraw/zinc/74/48/15/562744815.db2.gz FCCBNXQRQJFVDM-FQEVSTJZSA-N 0 0 528.606 4.542 1 0 KJAFRN COC1CCN(S(=O)(=O)c2ccc(Oc3cc(OCC=C(C)C)cc(C(=O)Nc4cc(C)n(C)n4)c3)cc2)CC1 ZINC000084617234 562744858 /nfs/dbraw/zinc/74/48/58/562744858.db2.gz SSKMAFJLOGCTSG-UHFFFAOYSA-N 0 0 568.696 4.918 1 0 KJAFRN COC1CCN(S(=O)(=O)c2ccc(Oc3cc(OCC=C(C)C)cc(C(=O)Nc4ccn(C)n4)c3)cc2)CC1 ZINC000084617236 562744843 /nfs/dbraw/zinc/74/48/43/562744843.db2.gz HKVWZJIDORPBSW-UHFFFAOYSA-N 0 0 554.669 4.609 1 0 KJAFRN Cc1ccc(S(=O)(=O)Oc2c3ccccc3n(C)c(=O)c2NC(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000084617622 562744906 /nfs/dbraw/zinc/74/49/06/562744906.db2.gz LLMURCUWBYRBOS-UHFFFAOYSA-N 0 0 532.618 4.971 1 0 KJAFRN Cc1nc(N2CCC(O)(c3ccc(F)cn3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084617819 562744973 /nfs/dbraw/zinc/74/49/73/562744973.db2.gz LJLZIZYPEHICQG-UHFFFAOYSA-N 0 0 571.531 4.876 1 0 KJAFRN Cc1nc(N2CCC(N3CCOCC3)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000084617828 562744929 /nfs/dbraw/zinc/74/49/29/562744929.db2.gz SBJXSLMVEVXKIR-RUDMXATFSA-N 0 0 541.574 4.790 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 ZINC000084619455 562745286 /nfs/dbraw/zinc/74/52/86/562745286.db2.gz TTXUUHWJDGZPDA-UHFFFAOYSA-N 0 0 577.665 4.682 1 0 KJAFRN COc1ccc(/C=C/c2cc(I)c(OC)c(I)c2)cc1O ZINC000084619686 562745321 /nfs/dbraw/zinc/74/53/21/562745321.db2.gz LDMKJXAAAZJBOK-ONEGZZNKSA-N 0 0 508.093 4.789 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 ZINC000084620009 562745382 /nfs/dbraw/zinc/74/53/82/562745382.db2.gz LIEHUWSBANPUKO-UHFFFAOYSA-N 0 0 545.648 4.865 1 0 KJAFRN CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3cnc(Cl)s3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084620040 562745394 /nfs/dbraw/zinc/74/53/94/562745394.db2.gz RKIQRUNQORPFSW-UHFFFAOYSA-N 0 0 552.572 4.558 1 0 KJAFRN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)n3)cc2)c[nH]1)C(C)C ZINC000084620127 562745414 /nfs/dbraw/zinc/74/54/14/562745414.db2.gz YJRWUWPGUIVAKA-LJWNLINESA-N 0 0 662.792 4.555 1 0 KJAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C(=O)Nc2cc(C)n(C)n2)c1 ZINC000084632506 562745568 /nfs/dbraw/zinc/74/55/68/562745568.db2.gz BDKQYGBLMIUIPE-SZPZYZBQSA-N 0 0 568.696 4.916 1 0 KJAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C(=O)Nc2ccn(C)n2)c1 ZINC000084632508 562745559 /nfs/dbraw/zinc/74/55/59/562745559.db2.gz VIMXYGAGYOVMFS-OYRHEFFESA-N 0 0 554.669 4.608 1 0 KJAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3C[C@H]4CC[C@@H](C3)O4)cc2)cc(C(=O)Nc2cc(C)n(C)n2)c1 ZINC000084632510 562745586 /nfs/dbraw/zinc/74/55/86/562745586.db2.gz DWWDHOWABXTSTF-PSWAGMNNSA-N 0 0 566.680 4.670 1 0 KJAFRN Cc1nc(Br)sc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084632681 562745617 /nfs/dbraw/zinc/74/56/17/562745617.db2.gz NKRNBNIQABAMBH-UHFFFAOYSA-N 0 0 501.454 4.706 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4cccs4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632702 562745612 /nfs/dbraw/zinc/74/56/12/562745612.db2.gz IMRNKQWAMWWEKR-SFHVURJKSA-N 0 0 561.741 4.711 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4cccs4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632705 562745643 /nfs/dbraw/zinc/74/56/43/562745643.db2.gz IMRNKQWAMWWEKR-GOSISDBHSA-N 0 0 561.741 4.711 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccc(F)cc4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 ZINC000084632791 562745647 /nfs/dbraw/zinc/74/56/47/562745647.db2.gz FETFATXUVPPWGM-UHFFFAOYSA-N 0 0 545.648 4.865 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632856 562745602 /nfs/dbraw/zinc/74/56/02/562745602.db2.gz PBHYAPKEUOBQSL-KRWDZBQOSA-N 0 0 560.663 4.506 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4F)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632858 562745632 /nfs/dbraw/zinc/74/56/32/562745632.db2.gz PBHYAPKEUOBQSL-QGZVFWFLSA-N 0 0 560.663 4.506 1 0 in-vitro KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632860 562745598 /nfs/dbraw/zinc/74/55/98/562745598.db2.gz APEKZEQPEXYFDS-KRWDZBQOSA-N 0 0 560.663 4.506 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632863 562745628 /nfs/dbraw/zinc/74/56/28/562745628.db2.gz APEKZEQPEXYFDS-QGZVFWFLSA-N 0 0 560.663 4.506 1 0 KJAFRN COCC(=O)N(C)C1CCN(c2nc(C)c3cc(NC(=O)/C=C/c4ccc(OC(F)(F)F)cc4)ccc3n2)CC1 ZINC000084633060 562745672 /nfs/dbraw/zinc/74/56/72/562745672.db2.gz TUUVRWKXDRBNGO-IZZDOVSWSA-N 0 0 557.573 4.562 1 0 KJAFRN COc1ccc(-c2ccc3nc(N[C@H](C)c4ccc(-n5cncn5)cc4)nc(NCC(F)(F)F)c3n2)cc1S(C)(=O)=O ZINC000084633081 562745687 /nfs/dbraw/zinc/74/56/87/562745687.db2.gz YCAOUEWMROIKEB-MRXNPFEDSA-N 0 0 598.611 4.832 1 0 KJAFRN CN(CC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 ZINC000084633146 562745662 /nfs/dbraw/zinc/74/56/62/562745662.db2.gz VJBKRSCZUMERCR-LJAQVGFWSA-N 0 0 537.616 4.891 1 0 KJAFRN CN(CC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 ZINC000084633152 562745688 /nfs/dbraw/zinc/74/56/88/562745688.db2.gz VJBKRSCZUMERCR-GDLZYMKVSA-N 0 0 537.616 4.891 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084633503 562745729 /nfs/dbraw/zinc/74/57/29/562745729.db2.gz MKPGJKRDMWXJIV-KRWDZBQOSA-N 0 0 560.663 4.506 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084633505 562745749 /nfs/dbraw/zinc/74/57/49/562745749.db2.gz MKPGJKRDMWXJIV-QGZVFWFLSA-N 0 0 560.663 4.506 1 0 KJAFRN Cc1nc(N2CCC(N3C(=O)CCC3=O)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000084633633 562745745 /nfs/dbraw/zinc/74/57/45/562745745.db2.gz ZFMWILDHXFMBDB-RUDMXATFSA-N 0 0 553.541 4.607 1 0 KJAFRN Cc1nc(N2CCC(N3CCOC3=O)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000084633635 562745757 /nfs/dbraw/zinc/74/57/57/562745757.db2.gz MAPBXAOIQWVKOY-RUDMXATFSA-N 0 0 541.530 4.910 1 0 KJAFRN CC(=O)[C@]1(O)CC[C@]23OC(C)(C)O[C@]24CC=C2C[C@@H](O)CC[C@]2(C)[C@H]4C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@@]31C ZINC000084633663 562745788 /nfs/dbraw/zinc/74/57/88/562745788.db2.gz DVQWGAMXAYWPPH-NJCCKIRRSA-N 0 0 530.702 4.782 1 0 KJAFRN CC1(Oc2nc(NCc3ccc(-n4cncn4)cc3)nc3ccc(-c4ccc(OC5CC5)nc4)nc32)CC1 ZINC000084633678 562745767 /nfs/dbraw/zinc/74/57/67/562745767.db2.gz GCOOOALLIPGRDP-UHFFFAOYSA-N 0 0 506.570 4.752 1 0 KJAFRN Cc1ccc2nc(N(C)C)nc(NCc3ccc(C(=O)N4CCC(C(=O)NCc5ccc(F)cc5)CC4)cc3)c2c1 ZINC000084634538 562745895 /nfs/dbraw/zinc/74/58/95/562745895.db2.gz VIVMFRXOPMVDNV-UHFFFAOYSA-N 0 0 554.670 4.924 1 0 KJAFRN CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000084634911 562746004 /nfs/dbraw/zinc/74/60/04/562746004.db2.gz VESQSSZIPHIPPQ-LXGCCNARSA-N 0 0 544.729 4.753 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(N(C)C)c4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084634994 562746045 /nfs/dbraw/zinc/74/60/45/562746045.db2.gz ZWGGSMUWSPJJIU-NRFANRHFSA-N 0 0 598.781 4.716 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(N(C)C)c4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084634996 562746060 /nfs/dbraw/zinc/74/60/60/562746060.db2.gz ZWGGSMUWSPJJIU-OAQYLSRUSA-N 0 0 598.781 4.716 1 0 KJAFRN COc1cccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(CN6CCC[C@H](C)C6)ns5)nc(C)cn34)cn2)c1 ZINC000084634999 562746024 /nfs/dbraw/zinc/74/60/24/562746024.db2.gz GANVFRXETVPEAB-FQEVSTJZSA-N 0 0 585.738 4.658 1 0 KJAFRN COc1cccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(CN6CCC[C@@H](C)C6)ns5)nc(C)cn34)cn2)c1 ZINC000084635001 562746020 /nfs/dbraw/zinc/74/60/20/562746020.db2.gz GANVFRXETVPEAB-HXUWFJFHSA-N 0 0 585.738 4.658 1 0 KJAFRN Cc1cc(C[C@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C(=O)N(C)C)ccn2)cc2c[nH]nc21 ZINC000084635185 562746089 /nfs/dbraw/zinc/74/60/89/562746089.db2.gz VUDURQVKUZTPAQ-NDEPHWFRSA-N 0 0 581.677 4.901 1 0 KJAFRN Cc1cc(C[C@@H](OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(C(=O)N(C)C)ccn2)cc2c[nH]nc21 ZINC000084635188 562746076 /nfs/dbraw/zinc/74/60/76/562746076.db2.gz VUDURQVKUZTPAQ-MUUNZHRXSA-N 0 0 581.677 4.901 1 0 KJAFRN O=C(Cc1c[nH]cn1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC000084635306 562746127 /nfs/dbraw/zinc/74/61/27/562746127.db2.gz AUYKBXGQIZMSTC-DEOSSOPVSA-N 0 0 504.974 4.738 1 0 KJAFRN O=C(Cc1c[nH]cn1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000084635307 562746134 /nfs/dbraw/zinc/74/61/34/562746134.db2.gz MWFYBAMREXCQRG-VWLOTQADSA-N 0 0 504.974 4.738 1 0 KJAFRN COc1cc(-c2cn([C@H]3C[C@@H](c4ccccc4)CCN(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084635480 562746167 /nfs/dbraw/zinc/74/61/67/562746167.db2.gz WKUIEMLPYVVIBQ-RDPSFJRHSA-N 0 0 524.547 4.957 1 0 KJAFRN COC(=O)c1ccnc([C@H](Cc2cc3c[nH]nc3c(C)c2)OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c1 ZINC000084635515 562746191 /nfs/dbraw/zinc/74/61/91/562746191.db2.gz DJXDOQWEVDTVSG-MHZLTWQESA-N 0 0 568.634 4.985 1 0 KJAFRN COC(=O)c1ccnc([C@@H](Cc2cc3c[nH]nc3c(C)c2)OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c1 ZINC000084635517 562746190 /nfs/dbraw/zinc/74/61/90/562746190.db2.gz DJXDOQWEVDTVSG-HHHXNRCGSA-N 0 0 568.634 4.985 1 0 KJAFRN O=C(Cc1c[nH]cn1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000084635660 562746234 /nfs/dbraw/zinc/74/62/34/562746234.db2.gz KWUKTAUWECUKKS-VWLOTQADSA-N 0 0 504.974 4.738 1 0 KJAFRN CN(C)c1nc2ccccc2c(NCc2ccc(C(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2)n1 ZINC000084635688 562746232 /nfs/dbraw/zinc/74/62/32/562746232.db2.gz MCIUDXNAMZMSHR-UHFFFAOYSA-N 0 0 540.643 4.616 1 0 KJAFRN Cc1nc(N2CCC(N3CCN(C)C3=O)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000084635858 562746297 /nfs/dbraw/zinc/74/62/97/562746297.db2.gz MQGZHPDIMBWCGK-BJMVGYQFSA-N 0 0 554.573 4.825 1 0 KJAFRN COc1cc(-c2cn([C@H]3C[C@@H](C(C)(C)C)CCN(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084635915 562746245 /nfs/dbraw/zinc/74/62/45/562746245.db2.gz SKVQSOWCGGCBJZ-RXVVDRJESA-N 0 0 504.557 4.836 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084635987 562746282 /nfs/dbraw/zinc/74/62/82/562746282.db2.gz DUDRYIOTGNVUFB-FQEVSTJZSA-N 0 0 555.712 4.650 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084635989 562746247 /nfs/dbraw/zinc/74/62/47/562746247.db2.gz DUDRYIOTGNVUFB-HXUWFJFHSA-N 0 0 555.712 4.650 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084635991 562746274 /nfs/dbraw/zinc/74/62/74/562746274.db2.gz JJOKOLOYQZIVJV-IBGZPJMESA-N 0 0 541.685 4.972 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084635993 562746254 /nfs/dbraw/zinc/74/62/54/562746254.db2.gz JJOKOLOYQZIVJV-LJQANCHMSA-N 0 0 541.685 4.972 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084635996 562746289 /nfs/dbraw/zinc/74/62/89/562746289.db2.gz WRJCEXIIPCBBHI-NRFANRHFSA-N 0 0 569.739 4.992 1 0 KJAFRN Cc1cn2c(-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084635998 562746293 /nfs/dbraw/zinc/74/62/93/562746293.db2.gz WRJCEXIIPCBBHI-OAQYLSRUSA-N 0 0 569.739 4.992 1 0 KJAFRN Cc1nc(N2CCC(C(=O)NC(C)C)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084636099 562746303 /nfs/dbraw/zinc/74/63/03/562746303.db2.gz OXPOYCKRLRTTTK-UHFFFAOYSA-N 0 0 545.562 4.595 1 0 KJAFRN CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000084638155 562746334 /nfs/dbraw/zinc/74/63/34/562746334.db2.gz STAULMOPCIDUEU-FQEVSTJZSA-N 0 0 551.750 4.832 1 0 KJAFRN CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000084638156 562746332 /nfs/dbraw/zinc/74/63/32/562746332.db2.gz STAULMOPCIDUEU-HXUWFJFHSA-N 0 0 551.750 4.832 1 0 KJAFRN COc1cccc(CCNc2nc3cc(OC)c(OC)cc3c(NCCc3cccc(OC)c3OC)n2)c1OC ZINC000084651500 562746308 /nfs/dbraw/zinc/74/63/08/562746308.db2.gz WHNCLXBOWSCERG-UHFFFAOYSA-N 0 0 548.640 4.991 1 0 KJAFRN COc1cc2c3c(c1OC(C)=O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(C(=O)C(F)(F)F)C=C2 ZINC000084651951 562746344 /nfs/dbraw/zinc/74/63/44/562746344.db2.gz HAYWHZFHLWBUJM-HNNXBMFYSA-N 0 0 507.461 4.676 1 0 KJAFRN Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ncccn1 ZINC000084652045 562746350 /nfs/dbraw/zinc/74/63/50/562746350.db2.gz FIMHRJKSKVXMEB-UHFFFAOYSA-N 0 0 504.594 4.855 1 0 KJAFRN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(CCO)n(-c3ccccc3)c2=O)cc1F ZINC000084652511 562746558 /nfs/dbraw/zinc/74/65/58/562746558.db2.gz VCMSULGORSGFSP-UHFFFAOYSA-N 0 0 528.540 4.680 1 0 KJAFRN COCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc43)cn2)c(=O)n1-c1ccccc1 ZINC000084652513 562746585 /nfs/dbraw/zinc/74/65/85/562746585.db2.gz YKCLPZQBFQBZAH-UHFFFAOYSA-N 0 0 525.565 4.590 1 0 KJAFRN Cc1c(C(=O)NC2CCN(S(C)(=O)=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000084652649 562746594 /nfs/dbraw/zinc/74/65/94/562746594.db2.gz ADXCWXPBLZGWAT-UHFFFAOYSA-N 0 0 541.888 4.962 1 0 KJAFRN C[C@H]1/C=C(\CO)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc32)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C1 ZINC000084652699 562746668 /nfs/dbraw/zinc/74/66/68/562746668.db2.gz NNVOUTYROAINIX-UJGTXQDTSA-N 0 0 725.681 4.674 1 0 in-vitro KJAFRN COc1cc(C2=NO[C@H](C(=O)Nc3c(C)cc(Cl)cc3C(=O)NC3CCCCC3)C2)cc(OC)c1OC ZINC000084652795 562746660 /nfs/dbraw/zinc/74/66/60/562746660.db2.gz HXASNNPQZVYQKK-QHCPKHFHSA-N 0 0 530.021 4.868 1 0 KJAFRN COc1cc(C2=NO[C@@H](C(=O)Nc3c(C)cc(Cl)cc3C(=O)NC3CCCCC3)C2)cc(OC)c1OC ZINC000084652796 562746659 /nfs/dbraw/zinc/74/66/59/562746659.db2.gz HXASNNPQZVYQKK-HSZRJFAPSA-N 0 0 530.021 4.868 1 0 KJAFRN CO[C@@H]1CCN(C(=O)c2sc(C)nc2-c2ccccc2)[C@H](CNC(=O)c2cccc3cccnc32)C1 ZINC000084652871 562746714 /nfs/dbraw/zinc/74/67/14/562746714.db2.gz WDUTYWDOASCDDE-FCHUYYIVSA-N 0 0 500.624 4.716 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3nnc(-c5ccccc5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000084652954 562746676 /nfs/dbraw/zinc/74/66/76/562746676.db2.gz FTQRRPLOIWXAAH-QNMIOERPSA-N 0 0 557.559 4.579 1 0 KJAFRN CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084652969 562746689 /nfs/dbraw/zinc/74/66/89/562746689.db2.gz NUXUQXBFGQPERJ-JDXGNMNLSA-N 0 0 581.673 4.618 1 0 KJAFRN COc1cc(-c2nnc(SCc3ccccc3Cl)n2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000084653177 562746774 /nfs/dbraw/zinc/74/67/74/562746774.db2.gz UPCQCJQGJIQFSP-UHFFFAOYSA-N 0 0 536.997 4.849 1 0 KJAFRN Cc1c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000084653226 562746798 /nfs/dbraw/zinc/74/67/98/562746798.db2.gz VNILIMBZHPQFHO-GOSISDBHSA-N 0 0 541.888 4.962 1 0 KJAFRN CC(C)(C)C(=O)OC[C@@H](NC(=S)NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000084653253 562746830 /nfs/dbraw/zinc/74/68/30/562746830.db2.gz OEMUICJYBIWQMF-JOCHJYFZSA-N 0 0 519.733 4.650 1 0 KJAFRN CC(C)(C)C(=O)OC[C@H](NC(=S)NCc1ccc(NS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000084653254 562746812 /nfs/dbraw/zinc/74/68/12/562746812.db2.gz OEMUICJYBIWQMF-QFIPXVFZSA-N 0 0 519.733 4.650 1 0 KJAFRN CC(C)(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000084653840 562747014 /nfs/dbraw/zinc/74/70/14/562747014.db2.gz NSGCOYSQWBIPSZ-DSPMFFIESA-N 0 0 673.774 4.676 1 0 KJAFRN Cc1c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000084654182 562747217 /nfs/dbraw/zinc/74/72/17/562747217.db2.gz VNILIMBZHPQFHO-SFHVURJKSA-N 0 0 541.888 4.962 1 0 KJAFRN COc1cc(N2C(=O)N(c3ccc(-c4cccc(C(=O)[O-])c4)cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084654642 562747295 /nfs/dbraw/zinc/74/72/95/562747295.db2.gz ARCCMXIHDKFBOJ-UHFFFAOYSA-N 0 0 578.629 4.562 1 0 KJAFRN COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OCCOC(=O)c1cc(OC)c(OC)c(OC)c1)c2=O ZINC000084655274 562747454 /nfs/dbraw/zinc/74/74/54/562747454.db2.gz KIXBDARTXMQFMR-UHFFFAOYSA-N 0 0 596.585 4.756 1 0 KJAFRN COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OCCOC(=O)c1ccc(OC)c(OC)c1)c2=O ZINC000084655276 562747413 /nfs/dbraw/zinc/74/74/13/562747413.db2.gz WYIQSHLYLRTPHM-UHFFFAOYSA-N 0 0 566.559 4.747 1 0 KJAFRN COc1ccc(C(=O)OCCOc2c(=O)c3c(OC)cc(OC)cc3oc2-c2ccc(OC)c(OC)c2)cc1 ZINC000084655329 562747505 /nfs/dbraw/zinc/74/75/05/562747505.db2.gz JQGHZZBSHGSAIH-UHFFFAOYSA-N 0 0 536.533 4.739 1 0 KJAFRN CC(C)(C)C(=O)OC[C@@H](NC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000084668377 562747533 /nfs/dbraw/zinc/74/75/33/562747533.db2.gz GIYRURUCASDJFU-JOCHJYFZSA-N 0 0 537.723 4.789 1 0 KJAFRN CC(C)(C)C(=O)OC[C@H](NC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000084668378 562747546 /nfs/dbraw/zinc/74/75/46/562747546.db2.gz GIYRURUCASDJFU-QFIPXVFZSA-N 0 0 537.723 4.789 1 0 KJAFRN CCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000084668639 562747722 /nfs/dbraw/zinc/74/77/22/562747722.db2.gz WHDZHIGKERTDFJ-UHFFFAOYSA-N 0 0 522.667 4.864 1 0 KJAFRN CC(C)(C)C(=O)OC[C@H](CCc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000084668677 562747694 /nfs/dbraw/zinc/74/76/94/562747694.db2.gz WRBQUDDKHSVEHD-DEOSSOPVSA-N 0 0 547.787 4.910 1 0 KJAFRN CC(C)(C)C(=O)OC[C@@H](CCc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000084668678 562747724 /nfs/dbraw/zinc/74/77/24/562747724.db2.gz WRBQUDDKHSVEHD-XMMPIXPASA-N 0 0 547.787 4.910 1 0 KJAFRN CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O ZINC000084668882 562747793 /nfs/dbraw/zinc/74/77/93/562747793.db2.gz RPLNJVBSDCLPJC-UHFFFAOYSA-N 0 0 545.065 4.565 1 0 KJAFRN CN(C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000084668944 562747823 /nfs/dbraw/zinc/74/78/23/562747823.db2.gz SGENHUFKTDEVIG-MHZLTWQESA-N 0 0 552.096 4.777 1 0 KJAFRN COc1cc(N2C(=O)N(c3ccc(-c4csc(C(=O)[O-])c4)cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084668975 562747820 /nfs/dbraw/zinc/74/78/20/562747820.db2.gz ZVCMQZNPBWGCEG-UHFFFAOYSA-N 0 0 584.658 4.623 1 0 KJAFRN [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084669018 562747878 /nfs/dbraw/zinc/74/78/78/562747878.db2.gz DXNVBHZAEVLTMD-ZQAZVOLISA-N 0 0 645.716 4.911 1 0 KJAFRN O=C(Oc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000084669052 562747850 /nfs/dbraw/zinc/74/78/50/562747850.db2.gz MAONAWILDFEKQA-UHFFFAOYSA-N 0 0 520.651 4.618 1 0 KJAFRN COc1ccc(-c2nnc(N[C@@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)o2)cc1 ZINC000084669140 562747903 /nfs/dbraw/zinc/74/79/03/562747903.db2.gz LGOGFBWEWXIHDW-ULBKPHCJSA-N 0 0 587.585 4.588 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3nnc(-c5cccs5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000084669142 562747905 /nfs/dbraw/zinc/74/79/05/562747905.db2.gz NQMJKEUBDRIOCE-CPUMGYLUSA-N 0 0 563.588 4.641 1 0 KJAFRN CCC(CC)[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC ZINC000084669365 562747959 /nfs/dbraw/zinc/74/79/59/562747959.db2.gz GAOBUNNVJBGHRQ-TYBKAHOSSA-N 0 0 514.630 4.616 1 0 KJAFRN CCC(CC)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC ZINC000084669366 562747966 /nfs/dbraw/zinc/74/79/66/562747966.db2.gz GAOBUNNVJBGHRQ-GIPLCNRYSA-N 0 0 514.630 4.616 1 0 KJAFRN Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3Cl)C[C@@H]1[S@@]2=O ZINC000084669410 562747983 /nfs/dbraw/zinc/74/79/83/562747983.db2.gz LQNFPLOXTCFXDP-CBYUZWNUSA-N 0 0 531.051 4.959 1 0 KJAFRN Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3Cl)C[C@@H]1[S@]2=O ZINC000084669411 562747980 /nfs/dbraw/zinc/74/79/80/562747980.db2.gz LQNFPLOXTCFXDP-OWYAIFFKSA-N 0 0 531.051 4.959 1 0 KJAFRN Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccc(Cl)cc3)C[C@@H]1[S@@]2=O ZINC000084669416 562748002 /nfs/dbraw/zinc/74/80/02/562748002.db2.gz IJOIVSDIRHUGFC-CBYUZWNUSA-N 0 0 531.051 4.959 1 0 KJAFRN Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccc(Cl)cc3)C[C@@H]1[S@]2=O ZINC000084669417 562747996 /nfs/dbraw/zinc/74/79/96/562747996.db2.gz IJOIVSDIRHUGFC-OWYAIFFKSA-N 0 0 531.051 4.959 1 0 KJAFRN COc1cc(N2CCN(Cc3ccccn3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084669836 562748072 /nfs/dbraw/zinc/74/80/72/562748072.db2.gz MMBOXQXVTMVCCQ-UHFFFAOYSA-N 0 0 513.650 4.567 1 0 KJAFRN COCCOc1cc2ncnc(Sc3nnc(NC(=O)Nc4cccc(Cl)c4)s3)c2cc1OCCOC ZINC000084669868 562748109 /nfs/dbraw/zinc/74/81/09/562748109.db2.gz LDEGOJWDSVVKIY-UHFFFAOYSA-N 0 0 563.061 4.980 1 0 KJAFRN Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4Cl)C[C@@H]2[S@@]3=O)ccc1O ZINC000084669890 562748107 /nfs/dbraw/zinc/74/81/07/562748107.db2.gz UWPYIUYZNLSKKE-CBYUZWNUSA-N 0 0 531.051 4.959 1 0 KJAFRN Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4Cl)C[C@@H]2[S@]3=O)ccc1O ZINC000084669891 562748110 /nfs/dbraw/zinc/74/81/10/562748110.db2.gz UWPYIUYZNLSKKE-OWYAIFFKSA-N 0 0 531.051 4.959 1 0 KJAFRN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(C[C@@H]3CNC(=O)O3)n(-c3ccccc3)c2=O)cc1F ZINC000084669970 562748164 /nfs/dbraw/zinc/74/81/64/562748164.db2.gz JJGHHJJQQHUAGN-QFIPXVFZSA-N 0 0 583.576 4.796 1 0 KJAFRN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(C[C@H]3CNC(=O)O3)n(-c3ccccc3)c2=O)cc1F ZINC000084669971 562748140 /nfs/dbraw/zinc/74/81/40/562748140.db2.gz JJGHHJJQQHUAGN-JOCHJYFZSA-N 0 0 583.576 4.796 1 0 KJAFRN O=S(=O)(c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCC1 ZINC000084669977 562748138 /nfs/dbraw/zinc/74/81/38/562748138.db2.gz LFQFACOQINGVSW-UHFFFAOYSA-N 0 0 535.735 4.816 1 0 KJAFRN CC(C)CCn1cc(-c2cc3cnc(Nc4cc(C(=O)N5CCN(C)CC5)n(C)c4)nc3n2C2CCCC2)cn1 ZINC000084670125 562748177 /nfs/dbraw/zinc/74/81/77/562748177.db2.gz LLSACPYCBRAUIJ-UHFFFAOYSA-N 0 0 543.720 4.926 1 0 KJAFRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000084670402 562748264 /nfs/dbraw/zinc/74/82/64/562748264.db2.gz CPVAKQVYNLPUBL-IPTQZSAISA-N 0 0 592.858 4.820 1 0 KJAFRN Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3cccc(Cl)c3)C[C@@H]1[S@@]2=O ZINC000084670559 562748326 /nfs/dbraw/zinc/74/83/26/562748326.db2.gz PWYXQTKWSOCNLF-CBYUZWNUSA-N 0 0 531.051 4.959 1 0 KJAFRN Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3cccc(Cl)c3)C[C@@H]1[S@]2=O ZINC000084670560 562748333 /nfs/dbraw/zinc/74/83/33/562748333.db2.gz PWYXQTKWSOCNLF-OWYAIFFKSA-N 0 0 531.051 4.959 1 0 KJAFRN COc1cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)Nc3ccc(N(C)C)cc3)c2)cc(OC)c1OC ZINC000084670607 562748339 /nfs/dbraw/zinc/74/83/39/562748339.db2.gz SJVRIGBOAFIHKG-UHFFFAOYSA-N 0 0 543.045 4.811 1 0 KJAFRN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000084670812 562748392 /nfs/dbraw/zinc/74/83/92/562748392.db2.gz MPJHTDIJHWMRPY-SANMLTNESA-N 0 0 504.030 4.790 1 0 KJAFRN Cn1cc(Nc2ncc3cc(-c4cnn(Cc5ccccc5)c4)n(C4CCCC4)c3n2)cc1C(=O)N1CCN(C)CC1 ZINC000084671004 562748462 /nfs/dbraw/zinc/74/84/62/562748462.db2.gz ZNZJOKVVRNTGRH-UHFFFAOYSA-N 0 0 563.710 4.928 1 0 KJAFRN COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)Cc3ccccc3Cl)n2)cc1 ZINC000084671964 562748719 /nfs/dbraw/zinc/74/87/19/562748719.db2.gz KPLDONHGEUOGJI-OAQYLSRUSA-N 0 0 506.049 4.795 1 0 KJAFRN CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N3CCCC3)oc2c1 ZINC000084672093 562748714 /nfs/dbraw/zinc/74/87/14/562748714.db2.gz LVCRRGONEHSFIT-SVBPBHIXSA-N 0 0 591.734 4.881 1 0 KJAFRN CCNc1nc2ccc(C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1 ZINC000084672182 562748751 /nfs/dbraw/zinc/74/87/51/562748751.db2.gz ZGYNRHPMXDOXFV-LOSJGSFVSA-N 0 0 565.696 4.713 1 0 KJAFRN Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nccn2n1 ZINC000084672419 562748809 /nfs/dbraw/zinc/74/88/09/562748809.db2.gz JHEYXJCAFLTKDM-UHFFFAOYSA-N 0 0 576.661 4.634 1 0 KJAFRN CCN(C)c1nc2ccc(C(=O)N(CC(C)C)C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1 ZINC000084687212 562748863 /nfs/dbraw/zinc/74/88/63/562748863.db2.gz RGTBBKSFLZZHLT-UIOOFZCWSA-N 0 0 579.723 4.737 1 0 KJAFRN Cc1cc2sc(-c3c(C)nc(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc2c(C)n1 ZINC000084687245 562748835 /nfs/dbraw/zinc/74/88/35/562748835.db2.gz PGHSPONUSHYXSY-PGVOTNSESA-N 0 0 604.655 4.660 1 0 KJAFRN CCc1nc(C)cc2sc(-c3c(C)nc(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc21 ZINC000084687246 562748866 /nfs/dbraw/zinc/74/88/66/562748866.db2.gz IYGOJKAIYNVNPU-XLIPMNMSSA-N 0 0 618.682 4.914 1 0 KJAFRN COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(=O)OC(C)(C)C)n(C)c4)n(C)c3)cn2)cc1 ZINC000084687687 562748981 /nfs/dbraw/zinc/74/89/81/562748981.db2.gz XEMXAGHGECZVFV-YRNVUSSQSA-N 0 0 641.729 4.697 1 0 KJAFRN CCc1nccc2sc(-c3c(C)nc(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc21 ZINC000084687848 562749049 /nfs/dbraw/zinc/74/90/49/562749049.db2.gz DLHRJTMTHPRCTE-GVOFYUMUSA-N 0 0 604.655 4.605 1 0 KJAFRN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1NC(=O)/C=C/c1cncnc1 ZINC000084687908 562749010 /nfs/dbraw/zinc/74/90/10/562749010.db2.gz ZHKMAVVFVGRTIT-XVNBXDOJSA-N 0 0 511.504 4.545 1 0 KJAFRN COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)c2cccc(OCCN3CCOCC3)c2)cc1OC ZINC000084688169 562749133 /nfs/dbraw/zinc/74/91/33/562749133.db2.gz GESFSDKPJMZHMK-BWOAWPSSSA-N 0 0 680.839 4.523 1 0 KJAFRN Cc1nc(N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2c(ccnc2C2CC2)s1 ZINC000084688437 562749166 /nfs/dbraw/zinc/74/91/66/562749166.db2.gz AQNFHVYYXBZMDW-MFKCSZRDSA-N 0 0 616.666 4.920 1 0 KJAFRN COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCCN3CCOCC3)c2)cc1OC ZINC000084688460 562749238 /nfs/dbraw/zinc/74/92/38/562749238.db2.gz CIMJLQGRAXAYIF-IOWSJCHKSA-N 0 0 725.886 4.778 1 0 KJAFRN COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000084688506 562749242 /nfs/dbraw/zinc/74/92/42/562749242.db2.gz JPZRKGHLOXQCMD-OAQYLSRUSA-N 0 0 506.049 4.795 1 0 KJAFRN COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3nccc4ccccc43)n2)cc1 ZINC000084688507 562749237 /nfs/dbraw/zinc/74/92/37/562749237.db2.gz NTOCWVFCKNJPJO-JOCHJYFZSA-N 0 0 508.625 4.549 1 0 KJAFRN Cc1nc2ccc(C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1 ZINC000084688917 562749281 /nfs/dbraw/zinc/74/92/81/562749281.db2.gz NVWBTVGTFCSKEI-LOSJGSFVSA-N 0 0 536.654 4.590 1 0 KJAFRN CCN(C)c1nc2ccc(C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cccnc3)cc2o1 ZINC000084688920 562749312 /nfs/dbraw/zinc/74/93/12/562749312.db2.gz AOVQXARIZDLJRY-WUFINQPMSA-N 0 0 573.694 4.676 1 0 KJAFRN CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 ZINC000084689255 562749289 /nfs/dbraw/zinc/74/92/89/562749289.db2.gz OQDIIFAIGYOVNP-URLMMPGGSA-N 0 0 624.775 4.628 1 0 KJAFRN C[C@H](NC(=O)c1cc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000084689374 562749329 /nfs/dbraw/zinc/74/93/29/562749329.db2.gz NPAZTJHAVXKSEN-HNNXBMFYSA-N 0 0 547.414 4.505 1 0 KJAFRN C[C@@H](NC(=O)c1cc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000084689375 562749349 /nfs/dbraw/zinc/74/93/49/562749349.db2.gz NPAZTJHAVXKSEN-OAHLLOKOSA-N 0 0 547.414 4.505 1 0 KJAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NCCCn3ccnc3)oc2c1 ZINC000084690189 562749535 /nfs/dbraw/zinc/74/95/35/562749535.db2.gz UHNGMTOQQDUDOW-URLMMPGGSA-N 0 0 645.786 4.980 1 0 KJAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N3CCCC3)oc2c1 ZINC000084690441 562749597 /nfs/dbraw/zinc/74/95/97/562749597.db2.gz LVCRRGONEHSFIT-RRPNLBNLSA-N 0 0 591.734 4.881 1 0 KJAFRN CC(C)(C)CNC(=O)NCCc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000084690676 562749722 /nfs/dbraw/zinc/74/97/22/562749722.db2.gz KAVMJFSALYNYAX-UHFFFAOYSA-N 0 0 551.688 4.590 1 0 KJAFRN Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3)cc1)C(=O)N2c1ccncn1 ZINC000084704797 562749855 /nfs/dbraw/zinc/74/98/55/562749855.db2.gz ROQKQYJTPICBKQ-UHFFFAOYSA-N 0 0 548.603 4.553 1 0 KJAFRN Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3C)cc1)C(=O)N2c1ccncn1 ZINC000084704800 562749850 /nfs/dbraw/zinc/74/98/50/562749850.db2.gz PHOCCMVBRLGOKP-UHFFFAOYSA-N 0 0 562.630 4.862 1 0 KJAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084704945 562749827 /nfs/dbraw/zinc/74/98/27/562749827.db2.gz NEXVCSRWDWRQMM-UHFFFAOYSA-N 0 0 563.507 4.513 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000084705735 562749892 /nfs/dbraw/zinc/74/98/92/562749892.db2.gz JXKITFISSUACPQ-NRFANRHFSA-N 0 0 572.772 4.833 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000084705740 562749945 /nfs/dbraw/zinc/74/99/45/562749945.db2.gz JXKITFISSUACPQ-OAQYLSRUSA-N 0 0 572.772 4.833 1 0 KJAFRN COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])cc4F)cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084705796 562749938 /nfs/dbraw/zinc/74/99/38/562749938.db2.gz NTUAWRQDBAVJLK-UHFFFAOYSA-N 0 0 596.619 4.701 1 0 KJAFRN COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])cc4C)cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084705800 562749912 /nfs/dbraw/zinc/74/99/12/562749912.db2.gz KAPZNJYOKZDXPF-UHFFFAOYSA-N 0 0 592.656 4.870 1 0 KJAFRN COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])s4)cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084706081 562749925 /nfs/dbraw/zinc/74/99/25/562749925.db2.gz KICDUIMXMCSVGI-UHFFFAOYSA-N 0 0 584.658 4.623 1 0 KJAFRN O=C(N[C@@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084706426 562750004 /nfs/dbraw/zinc/75/00/04/562750004.db2.gz HSLRVLOIHHUQLE-MHZLTWQESA-N 0 0 732.518 4.995 1 0 KJAFRN CC[C@@H]1CCCC[C@@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 ZINC000084706469 562749995 /nfs/dbraw/zinc/74/99/95/562749995.db2.gz LNUPCOUTUZFNRK-FHBSPUQQSA-N 0 0 694.866 4.913 1 0 KJAFRN O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1nc2ccc(Br)cc2s1 ZINC000084706933 562750039 /nfs/dbraw/zinc/75/00/39/562750039.db2.gz CHCDAKLKGAXUEG-UHFFFAOYSA-N 0 0 501.391 4.571 1 0 KJAFRN CCCc1nccc2sc(-c3c(C)nc(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc21 ZINC000084707324 562750103 /nfs/dbraw/zinc/75/01/03/562750103.db2.gz AKZGRBWNQXBUQN-XLIPMNMSSA-N 0 0 618.682 4.995 1 0 KJAFRN C/C1=C/[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc32)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)[C@H]1O ZINC000084708084 562750175 /nfs/dbraw/zinc/75/01/75/562750175.db2.gz CMRONKDSBQEHJM-PVHGVTJGSA-N 0 0 725.681 4.673 1 0 KJAFRN O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccccc2)N1CCCn1cnc2c1ncnc2NCc1ccccc1 ZINC000084708495 562750191 /nfs/dbraw/zinc/75/01/91/562750191.db2.gz BPBGOXQQSZABNX-SXOMAYOGSA-N 0 0 504.594 4.860 1 0 KJAFRN O=C(N[C@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084708775 562750201 /nfs/dbraw/zinc/75/02/01/562750201.db2.gz HSLRVLOIHHUQLE-HHHXNRCGSA-N 0 0 732.518 4.995 1 0 KJAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2Cc2ccc(C)cc2)c1OC ZINC000084709155 562750254 /nfs/dbraw/zinc/75/02/54/562750254.db2.gz CPJMEGBFVOCBPI-DBQZHCBRSA-N 0 0 548.647 4.731 1 0 KJAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2Cc2ccc(C)cc2)c1OC ZINC000084709158 562750275 /nfs/dbraw/zinc/75/02/75/562750275.db2.gz CPJMEGBFVOCBPI-QSRYBZNWSA-N 0 0 548.647 4.731 1 0 KJAFRN COc1cc(-c2nnc(SCC(=O)c3ccc(Br)cc3)n2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000084709183 562750304 /nfs/dbraw/zinc/75/03/04/562750304.db2.gz OTCPIGLVAYHHBN-UHFFFAOYSA-N 0 0 609.458 4.641 1 0 KJAFRN COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])cc4)cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084709211 562750318 /nfs/dbraw/zinc/75/03/18/562750318.db2.gz UDDLGZQDALRQID-UHFFFAOYSA-N 0 0 578.629 4.562 1 0 KJAFRN CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O ZINC000084709881 562750359 /nfs/dbraw/zinc/75/03/59/562750359.db2.gz NXKBBURYGABXCP-UHFFFAOYSA-N 0 0 545.065 4.565 1 0 KJAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2CCC(F)(F)F)c1OC ZINC000084710229 562750474 /nfs/dbraw/zinc/75/04/74/562750474.db2.gz YOZBLXHLSFVRNH-QQUYBBDPSA-N 0 0 540.546 4.522 1 0 KJAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2CCC(F)(F)F)c1OC ZINC000084710231 562750478 /nfs/dbraw/zinc/75/04/78/562750478.db2.gz YOZBLXHLSFVRNH-CQQBXOTJSA-N 0 0 540.546 4.522 1 0 in-vitro KJAFRN COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)[O-])c(C)c4)cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084710679 562750507 /nfs/dbraw/zinc/75/05/07/562750507.db2.gz DACGAATZKIWONI-UHFFFAOYSA-N 0 0 592.656 4.870 1 0 KJAFRN Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3)cc1)C(=O)N2c1cnccn1 ZINC000084710997 562750562 /nfs/dbraw/zinc/75/05/62/562750562.db2.gz KWJTYPOQTXWLHU-UHFFFAOYSA-N 0 0 548.603 4.553 1 0 KJAFRN Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3C)cc1)C(=O)N2c1cnccn1 ZINC000084710999 562750580 /nfs/dbraw/zinc/75/05/80/562750580.db2.gz YEMQCJMGXORROI-UHFFFAOYSA-N 0 0 562.630 4.862 1 0 KJAFRN COc1cc(N2C(=O)N(c3ccc(-c4ccccc4C(=O)[O-])cc3)C(=O)C23CC[NH+](Cc2ncccc2C)CC3)ncn1 ZINC000084712349 562750791 /nfs/dbraw/zinc/75/07/91/562750791.db2.gz GSKYNYTYBPKISP-UHFFFAOYSA-N 0 0 578.629 4.562 1 0 KJAFRN COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC(=O)c1cc(OC)c(OC)c(OC)c1)c2=O ZINC000084712454 562750782 /nfs/dbraw/zinc/75/07/82/562750782.db2.gz NTHWCPXNGGSMEM-UHFFFAOYSA-N 0 0 552.532 4.739 1 0 KJAFRN COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OCC(=O)c1ccc(OC)c(OC)c1)c2=O ZINC000084712459 562750806 /nfs/dbraw/zinc/75/08/06/562750806.db2.gz VYODWCFBKQVPDR-UHFFFAOYSA-N 0 0 536.533 4.773 1 0 KJAFRN CCN(C)c1nc2ccc(C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)OCc3cncs3)cc2o1 ZINC000084712928 562750857 /nfs/dbraw/zinc/75/08/57/562750857.db2.gz CMTFRXHEOAAMBF-IZZNHLLZSA-N 0 0 597.713 4.876 1 0 KJAFRN Cc1cc([C@@H]2CCCN2C(=O)C2=C(C)Nc3cc(C(F)(F)F)nn3[C@@H]2c2nc3ccccc3n2C)on1 ZINC000084714206 562750980 /nfs/dbraw/zinc/75/09/80/562750980.db2.gz IWECZHJAVQPJTJ-JTSKRJEESA-N 0 0 511.508 4.738 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000084714687 562750963 /nfs/dbraw/zinc/75/09/63/562750963.db2.gz UMTKFDQQDMAPSE-FYZNHFMZSA-N 0 0 705.871 4.743 1 0 KJAFRN O=C1NC(=O)C(=Cc2ccc(OCCSc3n[nH]c(-c4ccc(Br)cc4)n3)cc2)S1 ZINC000084714704 562750967 /nfs/dbraw/zinc/75/09/67/562750967.db2.gz XNRGTFGKXHETAH-WJDWOHSUSA-N 0 0 503.403 4.729 1 0 KJAFRN COCC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2cc3ccccc3n2C)n2nc(C(F)(F)F)cc2N1 ZINC000084722925 562751062 /nfs/dbraw/zinc/75/10/62/562751062.db2.gz MHQFMMJRYPCUAC-UQBPGWFLSA-N 0 0 540.546 4.969 1 0 KJAFRN O=C1O[C@H](OCCCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12 ZINC000084723252 562751073 /nfs/dbraw/zinc/75/10/73/562751073.db2.gz SVIXZSSACYLZKK-OQEOFVATSA-N 0 0 571.001 4.968 1 0 KJAFRN O=C1[C@@H](OCc2ccccc2)[C@@H](c2ccccc2)N1CCn1cnc2c1ncnc2NCc1ccccc1 ZINC000084724555 562751171 /nfs/dbraw/zinc/75/11/71/562751171.db2.gz QZFWRHHSMUYXTC-SXOMAYOGSA-N 0 0 504.594 4.607 1 0 KJAFRN O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccccc2)N1CCCn1cnc2c1ncnc2OCc1ccccc1 ZINC000084724562 562751170 /nfs/dbraw/zinc/75/11/70/562751170.db2.gz WRFATRFXZKIJHF-SXOMAYOGSA-N 0 0 505.578 4.827 1 0 KJAFRN COc1cc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000084724874 562751226 /nfs/dbraw/zinc/75/12/26/562751226.db2.gz GSDOUYNSIKIRNS-UHFFFAOYSA-N 0 0 565.007 4.532 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000084725216 562751236 /nfs/dbraw/zinc/75/12/36/562751236.db2.gz PXRYCASBAWTCMH-FNZWTVRRSA-N 0 0 554.091 4.652 1 0 KJAFRN Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3)cc1)C(=O)N2c1ncccn1 ZINC000084725906 562751266 /nfs/dbraw/zinc/75/12/66/562751266.db2.gz CHORIEKBRNXNSE-UHFFFAOYSA-N 0 0 548.603 4.553 1 0 KJAFRN Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3C)cc1)C(=O)N2c1ncccn1 ZINC000084725908 562751299 /nfs/dbraw/zinc/75/12/99/562751299.db2.gz MTFKYKNIAONGHD-UHFFFAOYSA-N 0 0 562.630 4.862 1 0 KJAFRN O=c1oc2cc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3cc2n1CCCN1CCOCC1 ZINC000084726283 562751286 /nfs/dbraw/zinc/75/12/86/562751286.db2.gz RJARHRSDCQNMIU-UHFFFAOYSA-N 0 0 511.582 4.583 1 0 KJAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2cc(C)cc(C)c2)c1OC ZINC000084726448 562751324 /nfs/dbraw/zinc/75/13/24/562751324.db2.gz YJNMFIWPSJEFDR-RWYJGDMMSA-N 0 0 548.647 4.845 1 0 KJAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2cc(C)cc(C)c2)c1OC ZINC000084726451 562751322 /nfs/dbraw/zinc/75/13/22/562751322.db2.gz YJNMFIWPSJEFDR-MOGHOSLNSA-N 0 0 548.647 4.845 1 0 KJAFRN C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc32)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H]1O ZINC000084726614 562751338 /nfs/dbraw/zinc/75/13/38/562751338.db2.gz KKIASCJKLSEAED-LTRHJYLOSA-N 0 0 725.681 4.673 1 0 in-vitro KJAFRN C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc32)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)[C@H]1O ZINC000084726620 562751326 /nfs/dbraw/zinc/75/13/26/562751326.db2.gz KKIASCJKLSEAED-UJJKCRNLSA-N 0 0 725.681 4.673 1 0 in-vitro KJAFRN COc1nccnc1N1C(=O)N(c2ccc(-c3ccc(C(=O)[O-])cc3C)cc2)C(=O)C12CC[NH+](Cc1ncccc1C)CC2 ZINC000084727329 562751358 /nfs/dbraw/zinc/75/13/58/562751358.db2.gz KXZUNTUEDNVFLH-UHFFFAOYSA-N 0 0 592.656 4.870 1 0 KJAFRN COc1ccc(C(=O)OC2C(C(=O)OCc3ccccc3)=C(C)NC(C)=C2C(=O)OCc2ccccc2)cc1OC ZINC000084728047 562751443 /nfs/dbraw/zinc/75/14/43/562751443.db2.gz GCBJSFIGGZEBLR-UHFFFAOYSA-N 0 0 557.599 4.867 1 0 KJAFRN CCN(C)c1nc2ccc(C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3ccncc3)cc2o1 ZINC000084728302 562751438 /nfs/dbraw/zinc/75/14/38/562751438.db2.gz NBXKPHVFWKOIHD-WUFINQPMSA-N 0 0 573.694 4.676 1 0 KJAFRN COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cc(Cl)ccc3F)n2)cc1 ZINC000084728325 562751437 /nfs/dbraw/zinc/75/14/37/562751437.db2.gz KTRRTYCMMYVRAA-LJQANCHMSA-N 0 0 510.012 4.793 1 0 KJAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084729637 562751598 /nfs/dbraw/zinc/75/15/98/562751598.db2.gz GSUCHIREESPMSX-UHFFFAOYSA-N 0 0 563.507 4.513 1 0 KJAFRN COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCN4CCc5ccccc5C4)c3)nc2)cn1 ZINC000084731359 562751683 /nfs/dbraw/zinc/75/16/83/562751683.db2.gz FQDPKZGBCYWYSH-UHFFFAOYSA-N 0 0 500.624 4.728 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCCNC(=O)C(F)(F)F ZINC000084731572 562751696 /nfs/dbraw/zinc/75/16/96/562751696.db2.gz KMZAOLIVIQFPTH-BQYQJAHWSA-N 0 0 657.653 4.995 1 0 KJAFRN COc1cc(COC(=O)c2ccc3c(c2)OCO3)c(-c2c3c(c(OC)cc2COC(=O)c2ccc4c(c2)OCO4)OCO3)c2c1OCO2 ZINC000084731732 562751739 /nfs/dbraw/zinc/75/17/39/562751739.db2.gz FHRDUVJYZXMYPZ-UHFFFAOYSA-N 0 0 658.568 5.000 1 0 KJAFRN Cc1ccc(S(=O)(=O)N2CCOc3cc4ncnc(Nc5cccc(Br)c5)c4cc3OCC2)cc1 ZINC000084732446 562751820 /nfs/dbraw/zinc/75/18/20/562751820.db2.gz 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/nfs/dbraw/zinc/76/10/22/562761022.db2.gz QGNZOANCXQXMOT-QFIPXVFZSA-N 0 0 533.547 4.798 1 0 KJAFRN CC(C)(C)OC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000095553718 562761061 /nfs/dbraw/zinc/76/10/61/562761061.db2.gz QGNZOANCXQXMOT-JOCHJYFZSA-N 0 0 533.547 4.798 1 0 KJAFRN CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C\C(=O)[O-] ZINC000095555224 562761515 /nfs/dbraw/zinc/76/15/15/562761515.db2.gz CHIHPJRBMJYYKS-DMFJGAQZSA-N 0 0 578.706 4.823 1 0 KJAFRN O=S(=O)(NC[C@H]1CCCN1c1ncnc(NCc2csc(-c3cccs3)n2)n1)c1ccc(C(F)(F)F)cc1 ZINC000095556490 562761740 /nfs/dbraw/zinc/76/17/40/562761740.db2.gz BWCYOFVECTXJOZ-QGZVFWFLSA-N 0 0 581.671 4.635 1 0 KJAFRN COc1cc(C(=O)c2c[nH]c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)cc(OC)c1OC ZINC000095556830 562761836 /nfs/dbraw/zinc/76/18/36/562761836.db2.gz YSUUFESTNSJLBW-UHFFFAOYSA-N 0 0 517.563 4.525 1 0 KJAFRN COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1 ZINC000095557515 562762140 /nfs/dbraw/zinc/76/21/40/562762140.db2.gz ASUIJKTZGCPWMG-VWLOTQADSA-N 0 0 528.498 4.873 1 0 KJAFRN COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1 ZINC000095557516 562762136 /nfs/dbraw/zinc/76/21/36/562762136.db2.gz ASUIJKTZGCPWMG-RUZDIDTESA-N 0 0 528.498 4.873 1 0 KJAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)Nc5ccc(F)cc5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095557527 562762184 /nfs/dbraw/zinc/76/21/84/562762184.db2.gz AYHJBFRPPDPHQD-LJQANCHMSA-N 0 0 585.669 4.694 1 0 KJAFRN Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCC1CCN(CC(F)(F)F)CC1 ZINC000095557663 562762235 /nfs/dbraw/zinc/76/22/35/562762235.db2.gz CRAJRCOSQOEGOS-UHFFFAOYSA-N 0 0 559.412 4.715 1 0 KJAFRN Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCC1CCN(C(=O)C2CCCC2)CC1 ZINC000095557744 562762227 /nfs/dbraw/zinc/76/22/27/562762227.db2.gz ITOXGJCBMVVVAT-UHFFFAOYSA-N 0 0 573.517 4.870 1 0 KJAFRN COc1cccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c1 ZINC000095558086 562762351 /nfs/dbraw/zinc/76/23/51/562762351.db2.gz OPBXVZNIFLIHOW-KMHPXQNHSA-N 0 0 805.977 4.526 1 0 KJAFRN Cc1cc(CC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cc(C)no4)cc3)cc2)on1 ZINC000095558308 562762420 /nfs/dbraw/zinc/76/24/20/562762420.db2.gz ORPMXQIOXWUAID-UMPLPVRUSA-N 0 0 650.736 4.794 1 0 KJAFRN Cn1c(Br)c(Br)cc1C(=O)NN1C(=O)CCS[C@H]1c1ccc(Cl)cc1 ZINC000095558601 562762482 /nfs/dbraw/zinc/76/24/82/562762482.db2.gz KVQBISDTHCIDRQ-INIZCTEOSA-N 0 0 507.635 4.513 1 0 KJAFRN Cn1c(Br)c(Br)cc1C(=O)NN1C(=O)CCS[C@@H]1c1ccc(Cl)cc1 ZINC000095558602 562762478 /nfs/dbraw/zinc/76/24/78/562762478.db2.gz KVQBISDTHCIDRQ-MRXNPFEDSA-N 0 0 507.635 4.513 1 0 KJAFRN CNC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O)C4(C)C)C(C)(C)O ZINC000095558668 562762520 /nfs/dbraw/zinc/76/25/20/562762520.db2.gz GEWVPCLDXWVPKB-DEBUZQOXSA-N 0 0 547.777 4.656 1 0 KJAFRN CCCCNc1ncnc2c1ncn2C/C=C/CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000095558733 562762552 /nfs/dbraw/zinc/76/25/52/562762552.db2.gz GZPCMQAAGOKYAA-ZHACJKMWSA-N 0 0 553.597 4.914 1 0 KJAFRN COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC1(OC(=O)CN)CC(F)(F)C1 ZINC000095558812 562762542 /nfs/dbraw/zinc/76/25/42/562762542.db2.gz OWIXZIXVALRNNV-UHFFFAOYSA-N 0 0 561.994 4.825 1 0 KJAFRN CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCCNC(=O)OCc2ccccc2Cl)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O ZINC000095558961 562762601 /nfs/dbraw/zinc/76/26/01/562762601.db2.gz QVAZYVGTFOYNSI-LDVAZLSXSA-N 0 0 817.428 4.704 1 0 KJAFRN C[C@@H](C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21)S(C)(=O)=O ZINC000095559189 562762647 /nfs/dbraw/zinc/76/26/47/562762647.db2.gz SEXLNNKPTDAAAL-HNNXBMFYSA-N 0 0 548.452 4.823 1 0 KJAFRN C[C@H](C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21)S(C)(=O)=O ZINC000095559190 562762670 /nfs/dbraw/zinc/76/26/70/562762670.db2.gz SEXLNNKPTDAAAL-OAHLLOKOSA-N 0 0 548.452 4.823 1 0 KJAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1cccc(F)c1C(=O)NC1(CO)CC1 ZINC000095559252 562762704 /nfs/dbraw/zinc/76/27/04/562762704.db2.gz RGQWGNGUFUBHCQ-JDXGNMNLSA-N 0 0 519.592 4.509 1 0 KJAFRN CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2ccc(=O)[nH]c2)n1 ZINC000095559565 562762781 /nfs/dbraw/zinc/76/27/81/562762781.db2.gz NMXHJQVUKNDLOP-UHFFFAOYSA-N 0 0 518.577 4.855 1 0 KJAFRN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cc2)cc1 ZINC000095559622 562762793 /nfs/dbraw/zinc/76/27/93/562762793.db2.gz KHPNKPCLPSYMMM-WMJXAIMSSA-N 0 0 564.686 4.979 1 0 KJAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@@]3(=O)OCc4c(F)c(C(C)(C)C)cc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000095559642 562762822 /nfs/dbraw/zinc/76/28/22/562762822.db2.gz HJWOBFOEHNCYBU-FKQDMZCDSA-N 0 0 542.516 4.939 1 0 in-vivo KJAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@]3(=O)OCc4c(F)c(C(C)(C)C)cc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000095559643 562762813 /nfs/dbraw/zinc/76/28/13/562762813.db2.gz HJWOBFOEHNCYBU-DNVNVHGSSA-N 0 0 542.516 4.939 1 0 in-vivo KJAFRN COC(=O)c1ccc(NC(=O)CSc2nncnc2-c2cccc3ccccc32)c(Br)c1 ZINC000095559896 562762903 /nfs/dbraw/zinc/76/29/03/562762903.db2.gz YHPMAJOBJAEJKH-UHFFFAOYSA-N 0 0 509.385 4.972 1 0 KJAFRN O=C(Cc1cccnc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3cccnc3)cc2)cc1 ZINC000095560116 562762973 /nfs/dbraw/zinc/76/29/73/562762973.db2.gz WWDFDHKADGREFB-JLWGYVHMSA-N 0 0 642.760 4.991 1 0 KJAFRN Cn1c(Br)c(Br)cc1C(=O)NN1C(=O)CCS[C@H]1C/C=C/c1ccccc1 ZINC000095560271 562763034 /nfs/dbraw/zinc/76/30/34/562763034.db2.gz ZRHDULOXEKTGKM-JZLODUJNSA-N 0 0 513.255 4.590 1 0 KJAFRN Cn1c(Br)c(Br)cc1C(=O)NN1C(=O)CCS[C@@H]1C/C=C/c1ccccc1 ZINC000095560272 562763046 /nfs/dbraw/zinc/76/30/46/562763046.db2.gz ZRHDULOXEKTGKM-ZGRWHYIRSA-N 0 0 513.255 4.590 1 0 KJAFRN COc1c2c(cc3c1[C@H]1C(=O)OC[C@H]1[C@H](C(=O)NCc1ccc(Cl)c(Cl)c1)[C@@H]3c1ccc3c(c1)OCO3)OCO2 ZINC000095560760 562763159 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/nfs/dbraw/zinc/76/55/76/562765576.db2.gz DIBJIDYNEHVBAV-MSLUGGNCSA-N 0 0 555.741 4.600 1 0 KJAFRN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095567430 562765832 /nfs/dbraw/zinc/76/58/32/562765832.db2.gz RITKZSVCMAPQBX-BCIXQDHQSA-N 0 0 685.847 4.982 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2ncc(-c3cccc(C(F)(F)F)c3)cc2C1=O ZINC000095567496 562765851 /nfs/dbraw/zinc/76/58/51/562765851.db2.gz LFZWPCZNHJKZTB-CEYNDMKZSA-N 0 0 562.633 4.962 1 0 KJAFRN CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@H]21 ZINC000095567625 562765960 /nfs/dbraw/zinc/76/59/60/562765960.db2.gz AGNZWQMETFBBDL-ZQIDGUAPSA-N 0 0 625.600 4.774 1 0 KJAFRN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)CCCCCC(=O)Nc4ccccc4N)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095567648 562765991 /nfs/dbraw/zinc/76/59/91/562765991.db2.gz YUOYVMFYYBCGFZ-BKQYKDOASA-N 0 0 693.867 4.646 1 0 KJAFRN 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ZINC000095567789 562766051 /nfs/dbraw/zinc/76/60/51/562766051.db2.gz RITKZSVCMAPQBX-UVNCRYBCSA-N 0 0 685.847 4.982 1 0 KJAFRN COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095567872 562766105 /nfs/dbraw/zinc/76/61/05/562766105.db2.gz RRZOLGOGARCUFV-VIPXIGFPSA-N 0 0 701.846 4.683 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568015 562766246 /nfs/dbraw/zinc/76/62/46/562766246.db2.gz XVMRDJHYQKDJSZ-OSWQYVSFSA-N 0 0 643.187 4.743 1 0 KJAFRN CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000095568043 562766305 /nfs/dbraw/zinc/76/63/05/562766305.db2.gz AGNZWQMETFBBDL-FUCNBRFFSA-N 0 0 625.600 4.774 1 0 KJAFRN CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@H]21 ZINC000095568062 562766284 /nfs/dbraw/zinc/76/62/84/562766284.db2.gz AGNZWQMETFBBDL-MBEZDYHHSA-N 0 0 625.600 4.774 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095568078 562766270 /nfs/dbraw/zinc/76/62/70/562766270.db2.gz KVVKXVOLFRVKSY-STSQHVNTSA-N 0 0 640.706 4.952 1 0 KJAFRN Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)CCCCCC(=O)Nc4ccccc4N)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095568088 562766266 /nfs/dbraw/zinc/76/62/66/562766266.db2.gz YUOYVMFYYBCGFZ-NSTRGFCRSA-N 0 0 693.867 4.646 1 0 KJAFRN COc1cccc(-c2cc3nc(-c4cccc(OC)c4)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)c1 ZINC000095568163 562766412 /nfs/dbraw/zinc/76/64/12/562766412.db2.gz OHGIBORBCTXUIC-UHFFFAOYSA-N 0 0 509.566 4.636 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568202 562766389 /nfs/dbraw/zinc/76/63/89/562766389.db2.gz RZPZGKHPZSWXCV-HHJKRLRDSA-N 0 0 654.733 4.881 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2CC1=O ZINC000095568246 562766461 /nfs/dbraw/zinc/76/64/61/562766461.db2.gz XWPWDTCVAMRROJ-MKVNITDJSA-N 0 0 691.876 4.664 1 0 KJAFRN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095568383 562766581 /nfs/dbraw/zinc/76/65/81/562766581.db2.gz RITKZSVCMAPQBX-SCZOVYFASA-N 0 0 685.847 4.982 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095568500 562766664 /nfs/dbraw/zinc/76/66/64/562766664.db2.gz DGFMXYCUCHIROH-OWOAZTCBSA-N 0 0 664.703 4.899 1 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568528 562766715 /nfs/dbraw/zinc/76/67/15/562766715.db2.gz RIXXTYAMMNYWGN-UMQWNRPGSA-N 0 0 648.704 4.819 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568875 562767020 /nfs/dbraw/zinc/76/70/20/562767020.db2.gz VBIHEYQLZSGFAG-NKQBKRSGSA-N 0 0 666.694 4.958 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000095568912 562767010 /nfs/dbraw/zinc/76/70/10/562767010.db2.gz OSBKVUYRQUHAIZ-HFZPWKHCSA-N 0 0 677.849 4.736 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569033 562767140 /nfs/dbraw/zinc/76/71/40/562767140.db2.gz RIXXTYAMMNYWGN-GTNJKRJXSA-N 0 0 648.704 4.819 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2CC1=O ZINC000095569157 562767219 /nfs/dbraw/zinc/76/72/19/562767219.db2.gz XWPWDTCVAMRROJ-XNSHOJTPSA-N 0 0 691.876 4.664 1 0 KJAFRN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc(Cl)c(Cl)c1)O2 ZINC000095569195 562767241 /nfs/dbraw/zinc/76/72/41/562767241.db2.gz MEDOMUDOKAOXGY-KMVLGAPJSA-N 0 0 639.602 4.680 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2ncc(-c3cccc(C(F)(F)F)c3)cc2C1=O ZINC000095569268 562767357 /nfs/dbraw/zinc/76/73/57/562767357.db2.gz CDAZLJBZDLYAFI-DFXHWTJYSA-N 0 0 600.594 4.880 1 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2CC1=O ZINC000095569398 562767404 /nfs/dbraw/zinc/76/74/04/562767404.db2.gz XWPWDTCVAMRROJ-GOFIJKOKSA-N 0 0 691.876 4.664 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095569437 562767393 /nfs/dbraw/zinc/76/73/93/562767393.db2.gz FLULYEBPWOEKQH-ULPIOCOXSA-N 0 0 714.285 4.991 1 0 KJAFRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095569500 562767429 /nfs/dbraw/zinc/76/74/29/562767429.db2.gz OTOHUSBCCBGSPA-DLVGFNCXSA-N 0 0 735.897 4.751 1 0 KJAFRN CC(C)OC(=O)N(C)C[C@@H]1OCc2ccccc2-c2c3ccccc3n(C)c2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095569663 562767613 /nfs/dbraw/zinc/76/76/13/562767613.db2.gz VNUWVQZUCWANNH-YPCDYVTLSA-N 0 0 521.658 4.680 1 0 KJAFRN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc1ccc(Cl)c(Cl)c1)O2 ZINC000095569767 562767639 /nfs/dbraw/zinc/76/76/39/562767639.db2.gz MEDOMUDOKAOXGY-URAKLDTCSA-N 0 0 639.602 4.680 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569778 562767632 /nfs/dbraw/zinc/76/76/32/562767632.db2.gz XVMRDJHYQKDJSZ-CEYNDMKZSA-N 0 0 643.187 4.743 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095569829 562767720 /nfs/dbraw/zinc/76/77/20/562767720.db2.gz FLULYEBPWOEKQH-JLELKNTQSA-N 0 0 714.285 4.991 1 0 KJAFRN C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1)c1ccccc1 ZINC000095569996 562767794 /nfs/dbraw/zinc/76/77/94/562767794.db2.gz UIBIEJVTTJAUBZ-FUCCEYAGSA-N 0 0 598.121 4.789 1 0 KJAFRN CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@H]21 ZINC000095570141 562767989 /nfs/dbraw/zinc/76/79/89/562767989.db2.gz AGNZWQMETFBBDL-SAYMBASOSA-N 0 0 625.600 4.774 1 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570198 562768037 /nfs/dbraw/zinc/76/80/37/562768037.db2.gz VBIHEYQLZSGFAG-NCXSOUSFSA-N 0 0 666.694 4.958 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095570206 562768021 /nfs/dbraw/zinc/76/80/21/562768021.db2.gz PDVAGQQXNQUIFZ-OUDXUNEISA-N 0 0 601.125 4.525 1 0 KJAFRN CN1C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@H]21 ZINC000095570310 562768093 /nfs/dbraw/zinc/76/80/93/562768093.db2.gz FGWXXPNFZDOWEJ-RELGLDOUSA-N 0 0 578.069 4.509 1 0 KJAFRN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095570336 562768102 /nfs/dbraw/zinc/76/81/02/562768102.db2.gz DODOMVFYZBDRPB-CYYCZYJVSA-N 0 0 653.201 4.554 1 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095570390 562768171 /nfs/dbraw/zinc/76/81/71/562768171.db2.gz XVMRDJHYQKDJSZ-RRQZXNHTSA-N 0 0 643.187 4.743 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000095570580 562768290 /nfs/dbraw/zinc/76/82/90/562768290.db2.gz OSBKVUYRQUHAIZ-BURCIIJTSA-N 0 0 677.849 4.736 1 0 KJAFRN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095570602 562768341 /nfs/dbraw/zinc/76/83/41/562768341.db2.gz XVMRDJHYQKDJSZ-XHNVNVPESA-N 0 0 643.187 4.743 1 0 KJAFRN COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095570900 562768638 /nfs/dbraw/zinc/76/86/38/562768638.db2.gz RRZOLGOGARCUFV-ISVMRZDUSA-N 0 0 701.846 4.683 1 0 KJAFRN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095571026 562768753 /nfs/dbraw/zinc/76/87/53/562768753.db2.gz AWGLQKUPOBUMJU-IKTKBOKFSA-N 0 0 689.810 4.813 1 0 KJAFRN CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000095571065 562768744 /nfs/dbraw/zinc/76/87/44/562768744.db2.gz AGNZWQMETFBBDL-HPJWIMSGSA-N 0 0 625.600 4.774 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095571205 562768871 /nfs/dbraw/zinc/76/88/71/562768871.db2.gz BIDQRLDEPABFFH-DVIHYUSWSA-N 0 0 671.820 4.674 1 0 KJAFRN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095571268 562768926 /nfs/dbraw/zinc/76/89/26/562768926.db2.gz RITKZSVCMAPQBX-KTYLLXISSA-N 0 0 685.847 4.982 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095571302 562768942 /nfs/dbraw/zinc/76/89/42/562768942.db2.gz BIDQRLDEPABFFH-JQASONJCSA-N 0 0 671.820 4.674 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1NC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095571593 562769142 /nfs/dbraw/zinc/76/91/42/562769142.db2.gz OKILNNDDRRXJNX-AWEZNQCLSA-N 0 0 516.561 4.776 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1NC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095571594 562769153 /nfs/dbraw/zinc/76/91/53/562769153.db2.gz OKILNNDDRRXJNX-CQSZACIVSA-N 0 0 516.561 4.776 1 0 KJAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)c3c2ncnc3N)C1 ZINC000095571711 562769229 /nfs/dbraw/zinc/76/92/29/562769229.db2.gz GLJLGEAWRQBSGD-HSZRJFAPSA-N 0 0 509.614 4.801 1 0 KJAFRN CS(=O)(=O)N1CCC(Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000095571722 562769187 /nfs/dbraw/zinc/76/91/87/562769187.db2.gz IXNMNDCGZKSZFX-UHFFFAOYSA-N 0 0 517.442 4.625 1 0 KJAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4cccc(C(C)(C)C)c4)c3)c3c2ncnc3N)C1 ZINC000095571768 562769233 /nfs/dbraw/zinc/76/92/33/562769233.db2.gz RMAUIYTVKFMOGP-HSZRJFAPSA-N 0 0 523.641 4.975 1 0 in-vitro KJAFRN C=CC(=O)N1CCC[C@H](n2nc(-c3cccc(C(=O)Nc4cccc(C(C)(C)C)c4)c3)c3c2ncnc3N)C1 ZINC000095571769 562769207 /nfs/dbraw/zinc/76/92/07/562769207.db2.gz RMAUIYTVKFMOGP-QHCPKHFHSA-N 0 0 523.641 4.975 1 0 KJAFRN O=C(O[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@@H](O)c2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000095571790 562769227 /nfs/dbraw/zinc/76/92/27/562769227.db2.gz IDBLZYJFOOVSBY-QRJOEMBSSA-N 0 0 535.551 4.524 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Br)c1 ZINC000095571875 562769264 /nfs/dbraw/zinc/76/92/64/562769264.db2.gz SCWQVMFRRBSGRH-UHFFFAOYSA-N 0 0 587.279 4.982 1 0 KJAFRN COc1cc2c(c(OC)c1)[C@]1(O)[C@@H](NC(=O)N(C)C)C[C@@H](c3cccc(F)c3)[C@]1(c1ccc(Cl)cc1)O2 ZINC000095572190 562769330 /nfs/dbraw/zinc/76/93/30/562769330.db2.gz QCKWIAIFJDRBOV-TXSIRGRGSA-N 0 0 526.992 4.799 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1Nc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095572200 562769338 /nfs/dbraw/zinc/76/93/38/562769338.db2.gz HGPVGIMWHVECNL-AWEZNQCLSA-N 0 0 510.513 4.775 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1Nc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095572201 562769320 /nfs/dbraw/zinc/76/93/20/562769320.db2.gz HGPVGIMWHVECNL-CQSZACIVSA-N 0 0 510.513 4.775 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(OC(=O)C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095572248 562769377 /nfs/dbraw/zinc/76/93/77/562769377.db2.gz ICRFIWXAVUGFPV-INIZCTEOSA-N 0 0 602.651 4.589 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(OC(=O)C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095572249 562769379 /nfs/dbraw/zinc/76/93/79/562769379.db2.gz ICRFIWXAVUGFPV-MRXNPFEDSA-N 0 0 602.651 4.589 1 0 KJAFRN COC(=O)N[C@H]1C[C@@H](c2cccc(F)c2)[C@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc(OC)c3[C@]12O ZINC000095572863 562769502 /nfs/dbraw/zinc/76/95/02/562769502.db2.gz BRQYDEUIFACDDZ-MNUJBRLQSA-N 0 0 513.949 4.884 1 0 KJAFRN Cc1ncn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnc6n[nH]cc6c5)nn4)c3)cc(C(F)(F)F)c2)n1 ZINC000095572909 562769539 /nfs/dbraw/zinc/76/95/39/562769539.db2.gz UOVRWDKWWSPLGT-UHFFFAOYSA-N 0 0 544.501 4.674 1 0 KJAFRN CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O)C4(C)C)C(C)(C)O ZINC000095572960 562769548 /nfs/dbraw/zinc/76/95/48/562769548.db2.gz OWNWYIHDZXSUAA-RWXNJHSZSA-N 0 0 532.762 4.863 1 0 KJAFRN O=C(N[C@@H]1CCOC1=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095573099 562769591 /nfs/dbraw/zinc/76/95/91/562769591.db2.gz GGJFEJFPERAGHH-YKSBVNFPSA-N 0 0 521.898 4.994 1 0 KJAFRN O=C(NCCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc21)c1ccccc1 ZINC000095573431 562769657 /nfs/dbraw/zinc/76/96/57/562769657.db2.gz HNJYBIOEIBAPDA-UHFFFAOYSA-N 0 0 536.405 4.693 1 0 KJAFRN CC(=O)N1CCC[C@H](n2nc(-c3cccc(C(=O)Nc4cccc(C(C)(C)C)c4)c3)c3c2ncnc3N)C1 ZINC000095573469 562769668 /nfs/dbraw/zinc/76/96/68/562769668.db2.gz ZPWFREDSHPFKDJ-QHCPKHFHSA-N 0 0 511.630 4.809 1 0 KJAFRN CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4cccc(C(C)(C)C)c4)c3)c3c2ncnc3N)C1 ZINC000095573470 562769675 /nfs/dbraw/zinc/76/96/75/562769675.db2.gz ZPWFREDSHPFKDJ-HSZRJFAPSA-N 0 0 511.630 4.809 1 0 KJAFRN CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4ccc(Cl)c(S(=O)(=O)N(C)C)c4)n3)ccn2)cc1 ZINC000095573784 562769764 /nfs/dbraw/zinc/76/97/64/562769764.db2.gz LVHNHGTWHQOKPD-UHFFFAOYSA-N 0 0 538.033 4.604 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1C[C@H](C)C[C@H](C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095574028 562769841 /nfs/dbraw/zinc/76/98/41/562769841.db2.gz KVUJVLPXRBZVJO-XHSDSOJGSA-N 0 0 530.588 4.513 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1C[C@H](C)C[C@@H](C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095574030 562769819 /nfs/dbraw/zinc/76/98/19/562769819.db2.gz KVUJVLPXRBZVJO-OAGGEKHMSA-N 0 0 530.588 4.513 1 0 KJAFRN COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4(F)CCOCC4)c(OC)nn23)c(OC)c1 ZINC000095574041 562769887 /nfs/dbraw/zinc/76/98/87/562769887.db2.gz PCEGARMVPFXTSY-UHFFFAOYSA-N 0 0 519.639 4.970 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cccc2ccccc21 ZINC000095574125 562769899 /nfs/dbraw/zinc/76/98/99/562769899.db2.gz HSSUBUIMACCCSC-UHFFFAOYSA-N 0 0 523.998 4.719 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000095574154 562769888 /nfs/dbraw/zinc/76/98/88/562769888.db2.gz XAQDYYRQLDIBAY-UHFFFAOYSA-N 0 0 556.855 4.801 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095574442 562769973 /nfs/dbraw/zinc/76/99/73/562769973.db2.gz KGYKTLWJQXWFRQ-INIZCTEOSA-N 0 0 530.588 4.801 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095574443 562769984 /nfs/dbraw/zinc/76/99/84/562769984.db2.gz KGYKTLWJQXWFRQ-MRXNPFEDSA-N 0 0 530.588 4.801 1 0 KJAFRN Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)Cc1ccc(C(F)(F)F)nc1N2 ZINC000095574534 562770024 /nfs/dbraw/zinc/77/00/24/562770024.db2.gz JQRBMCDLOPKBNY-UHFFFAOYSA-N 0 0 511.547 4.573 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@@H](OCc2ccccc2)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095574566 562769991 /nfs/dbraw/zinc/76/99/91/562769991.db2.gz YFBLKKGWAFVLFT-PGRDOPGGSA-N 0 0 594.631 4.826 1 0 KJAFRN Nc1cc(Br)c(-c2nn3c(CCC(=O)c4nc5ccccc5[nH]4)nnc3s2)c(Br)c1 ZINC000095574993 562770118 /nfs/dbraw/zinc/77/01/18/562770118.db2.gz GCYBURLXQVPCHL-UHFFFAOYSA-N 0 0 547.236 4.652 1 0 KJAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)c3c2ncnc3N)C1 ZINC000095575045 562770173 /nfs/dbraw/zinc/77/01/73/562770173.db2.gz CUTCARLWVXWMNC-HXUWFJFHSA-N 0 0 535.530 4.696 1 0 KJAFRN COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@@H]4CCCOC4)c(OC)nn23)c(OC)c1 ZINC000095575088 562770213 /nfs/dbraw/zinc/77/02/13/562770213.db2.gz PEJMHJFMNXDVDN-SFHVURJKSA-N 0 0 501.649 4.878 1 0 KJAFRN COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@H]4CCCOC4)c(OC)nn23)c(OC)c1 ZINC000095575089 562770197 /nfs/dbraw/zinc/77/01/97/562770197.db2.gz PEJMHJFMNXDVDN-GOSISDBHSA-N 0 0 501.649 4.878 1 0 KJAFRN CCCCCOC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000095575175 562770263 /nfs/dbraw/zinc/77/02/63/562770263.db2.gz AILCBSYTHGBXRH-NRYWBUFQSA-N 0 0 669.643 4.615 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000095575362 562770305 /nfs/dbraw/zinc/77/03/05/562770305.db2.gz UJBPIIUWRQEEBS-UHFFFAOYSA-N 0 0 541.935 4.584 1 0 KJAFRN CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@H]1CN(S(C)(=O)=O)CCO1)C4(C)C)C(C)(C)O ZINC000095575370 562770301 /nfs/dbraw/zinc/77/03/01/562770301.db2.gz XLEMOURRUBXUMQ-DNBBHLPPSA-N 0 0 695.960 4.506 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000095575498 562770324 /nfs/dbraw/zinc/77/03/24/562770324.db2.gz PNYFGXUAEPZCAB-UHFFFAOYSA-N 0 0 542.828 4.872 1 0 KJAFRN O=C(/C=C/Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)NCCN2CCOCC2)c1 ZINC000095575699 562770423 /nfs/dbraw/zinc/77/04/23/562770423.db2.gz YTWBPWVPXSOALD-MDWZMJQESA-N 0 0 529.681 4.748 1 0 KJAFRN CC(C)NCC(=O)N=[S@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000095575954 562770509 /nfs/dbraw/zinc/77/05/09/562770509.db2.gz YQLKDVGVUIYRDQ-DIPNUNPCSA-N 0 0 562.479 4.874 1 0 KJAFRN CS(=O)(=O)N1CCC[C@@H](Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1 ZINC000095576402 562770636 /nfs/dbraw/zinc/77/06/36/562770636.db2.gz NZRJXOUEEQDHFL-MRXNPFEDSA-N 0 0 517.442 4.625 1 0 KJAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)c3c2ncnc3N)C1 ZINC000095576443 562770628 /nfs/dbraw/zinc/77/06/28/562770628.db2.gz KLOXTILKBDECKI-HXUWFJFHSA-N 0 0 535.530 4.696 1 0 KJAFRN CCNC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095576499 562770672 /nfs/dbraw/zinc/77/06/72/562770672.db2.gz OJTGGIQZVHLICQ-GEEGQQTBSA-N 0 0 532.044 4.958 1 0 KJAFRN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc([S@](C)(=O)=NC(=O)CN2CCCC2)cc1 ZINC000095576532 562770655 /nfs/dbraw/zinc/77/06/55/562770655.db2.gz NUYDGSVILSJRHF-FAIXQHPJSA-N 0 0 604.516 4.981 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000095576551 562770661 /nfs/dbraw/zinc/77/06/61/562770661.db2.gz FPLYIVXFSTXXSI-UHFFFAOYSA-N 0 0 542.828 4.872 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000095576634 562770712 /nfs/dbraw/zinc/77/07/12/562770712.db2.gz UXKCBYBPCJJROA-UHFFFAOYSA-N 0 0 542.828 4.872 1 0 KJAFRN Cc1cn(-c2ccc(/C=C3\OC(C)(C)CN([C@H](c4cc(F)c(F)c(F)c4)[C@@H](C)O)C3=O)cc2F)cn1 ZINC000095576707 562770714 /nfs/dbraw/zinc/77/07/14/562770714.db2.gz HEDZTJCRGKQEGV-GEJSUJSUSA-N 0 0 503.496 4.838 1 0 KJAFRN CC(=O)NCCNC(=O)CCc1c(C)c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C)c2oc1=O ZINC000095577011 562770808 /nfs/dbraw/zinc/77/08/08/562770808.db2.gz MTBMZMGSJMBQHQ-UHFFFAOYSA-N 0 0 512.606 4.841 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(C)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095577032 562770863 /nfs/dbraw/zinc/77/08/63/562770863.db2.gz XVTZVRVVPOXNSG-HNNXBMFYSA-N 0 0 524.540 4.799 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(C)c1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095577033 562770835 /nfs/dbraw/zinc/77/08/35/562770835.db2.gz XVTZVRVVPOXNSG-OAHLLOKOSA-N 0 0 524.540 4.799 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000095577136 562770849 /nfs/dbraw/zinc/77/08/49/562770849.db2.gz HDPCOTPQBYQIGM-UHFFFAOYSA-N 0 0 542.828 4.872 1 0 KJAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1ccc2ccccc2c1 ZINC000095577275 562770890 /nfs/dbraw/zinc/77/08/90/562770890.db2.gz LBJWBSYLKJHTMR-UHFFFAOYSA-N 0 0 523.998 4.719 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)C[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095577418 562770948 /nfs/dbraw/zinc/77/09/48/562770948.db2.gz GNJFRVOGJVVKPG-SJORKVTESA-N 0 0 629.080 4.794 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)C[C@@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095577419 562770924 /nfs/dbraw/zinc/77/09/24/562770924.db2.gz GNJFRVOGJVVKPG-IRXDYDNUSA-N 0 0 629.080 4.794 1 0 KJAFRN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@H+](C)C3)ccc2c(C2CCCC2)c1-c1cnccn1 ZINC000095577430 562770935 /nfs/dbraw/zinc/77/09/35/562770935.db2.gz SXZWAAGEGNJXSI-ATVBPIPYSA-N 0 0 592.700 4.834 1 0 KJAFRN O=C(O[C@@H]1CC[C@H](c2cccc(F)c2F)[C@H](O)c2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000095577436 562770931 /nfs/dbraw/zinc/77/09/31/562770931.db2.gz IDBLZYJFOOVSBY-KPCPBYSCSA-N 0 0 535.551 4.524 1 0 KJAFRN C=CC(=O)N1CCC[C@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)c3c2ncnc3N)C1 ZINC000095577522 562770973 /nfs/dbraw/zinc/77/09/73/562770973.db2.gz GLJLGEAWRQBSGD-QHCPKHFHSA-N 0 0 509.614 4.801 1 0 KJAFRN Cc1ccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@@H](C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1 ZINC000095577540 562771037 /nfs/dbraw/zinc/77/10/37/562771037.db2.gz KXCLISIPSBYMDJ-IBGZPJMESA-N 0 0 593.647 4.666 1 0 KJAFRN Cc1ccc(N2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@H](C)c3ccc(NS(C)(=O)=O)c(F)c3)CC2)cc1 ZINC000095577541 562771009 /nfs/dbraw/zinc/77/10/09/562771009.db2.gz KXCLISIPSBYMDJ-LJQANCHMSA-N 0 0 593.647 4.666 1 0 KJAFRN CCC1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095577732 562771061 /nfs/dbraw/zinc/77/10/61/562771061.db2.gz UPEPITCUKHSMLK-LEWJYISDSA-N 0 0 501.439 4.774 1 0 KJAFRN Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](CC[NH3+])C(=O)[O-])c(C)c3)c2)c(C)cc1Cl ZINC000095578068 562771146 /nfs/dbraw/zinc/77/11/46/562771146.db2.gz GYNSPNKJOUPRON-QHCPKHFHSA-N 0 0 544.073 4.573 1 0 KJAFRN COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4CCOCC4)c(OC)nn23)c(OC)c1 ZINC000095578215 562771204 /nfs/dbraw/zinc/77/12/04/562771204.db2.gz WZXRULRBAGDYBG-UHFFFAOYSA-N 0 0 501.649 4.878 1 0 KJAFRN O=C(N[C@@H]1CCOC1=O)N[C@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095578342 562771195 /nfs/dbraw/zinc/77/11/95/562771195.db2.gz GGJFEJFPERAGHH-HYBUGGRVSA-N 0 0 521.898 4.994 1 0 KJAFRN CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(-c4ccc(NC(=O)NC)cc4)c3)n2)c1 ZINC000095578446 562771230 /nfs/dbraw/zinc/77/12/30/562771230.db2.gz DTNXNLFOABWGKC-UHFFFAOYSA-N 0 0 531.642 4.731 1 0 KJAFRN COc1cc(-c2csc(C(=O)[C@H](OC)c3ccc(N4CCOCC4)cc3)n2)cc(OC)c1Br ZINC000095578532 562771294 /nfs/dbraw/zinc/77/12/94/562771294.db2.gz KGXXSGCCKWBIGI-HSZRJFAPSA-N 0 0 533.444 4.997 1 0 KJAFRN COc1cc(-c2csc(C(=O)[C@@H](OC)c3ccc(N4CCOCC4)cc3)n2)cc(OC)c1Br ZINC000095578533 562771287 /nfs/dbraw/zinc/77/12/87/562771287.db2.gz KGXXSGCCKWBIGI-QHCPKHFHSA-N 0 0 533.444 4.997 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095578659 562771375 /nfs/dbraw/zinc/77/13/75/562771375.db2.gz QCMDLBCKSGKEFB-HNNXBMFYSA-N 0 0 524.540 4.643 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095578660 562771348 /nfs/dbraw/zinc/77/13/48/562771348.db2.gz QCMDLBCKSGKEFB-OAHLLOKOSA-N 0 0 524.540 4.643 1 0 KJAFRN CCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000095578663 562771337 /nfs/dbraw/zinc/77/13/37/562771337.db2.gz HLHTZPFTYGCXCT-HNNXBMFYSA-N 0 0 530.588 4.657 1 0 KJAFRN CCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000095578664 562771353 /nfs/dbraw/zinc/77/13/53/562771353.db2.gz HLHTZPFTYGCXCT-OAHLLOKOSA-N 0 0 530.588 4.657 1 0 KJAFRN CCn1cc([C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)NC(=N)c3c2cccc3F)cc(C)c1=O ZINC000095578684 562771358 /nfs/dbraw/zinc/77/13/58/562771358.db2.gz ZHBQVFWGAQTZHO-NDEPHWFRSA-N 0 0 515.976 4.627 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095578805 562771398 /nfs/dbraw/zinc/77/13/98/562771398.db2.gz ZQDWMWXWVXDPCQ-HNNXBMFYSA-N 0 0 530.588 4.657 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095578806 562771411 /nfs/dbraw/zinc/77/14/11/562771411.db2.gz ZQDWMWXWVXDPCQ-OAHLLOKOSA-N 0 0 530.588 4.657 1 0 KJAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)NCc4ccc(C(C)(C)C)cc4)c3)c3c2ncnc3N)C1 ZINC000095579078 562771416 /nfs/dbraw/zinc/77/14/16/562771416.db2.gz SJJNZHHGZMUFIM-XMMPIXPASA-N 0 0 537.668 4.653 1 0 KJAFRN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@H+](C)C3)ccc2c(C2CCCC2)c1-c1ncccn1 ZINC000095579174 562771462 /nfs/dbraw/zinc/77/14/62/562771462.db2.gz YDATUJVUHJRDFQ-JJWGZSDKSA-N 0 0 592.700 4.834 1 0 KJAFRN COc1cc2c(c(OC)c1)[C@]1(O)[C@@H](NC(C)=O)C[C@@H](c3cccc(F)c3)[C@]1(c1ccc(Br)cc1)O2 ZINC000095579214 562771476 /nfs/dbraw/zinc/77/14/76/562771476.db2.gz FUVHOVJEMAVOPK-QYNQJEERSA-N 0 0 542.401 4.773 1 0 KJAFRN COc1cc2c(c(OC)c1)[C@]1(O)[C@H](O)C[C@@H](c3cccc(F)c3)[C@]1(c1ccc(Br)cc1)O2 ZINC000095579230 562771494 /nfs/dbraw/zinc/77/14/94/562771494.db2.gz VWPLYEVQLNIMMY-MCWSDJLFSA-N 0 0 501.348 4.629 1 0 KJAFRN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3)C2)cc1OC ZINC000095579540 562771555 /nfs/dbraw/zinc/77/15/55/562771555.db2.gz LATIUONNKAGHTQ-QHCPKHFHSA-N 0 0 511.575 4.650 1 0 KJAFRN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3)C2)cc1OC ZINC000095579541 562771565 /nfs/dbraw/zinc/77/15/65/562771565.db2.gz LATIUONNKAGHTQ-HSZRJFAPSA-N 0 0 511.575 4.650 1 0 KJAFRN Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095579659 562771620 /nfs/dbraw/zinc/77/16/20/562771620.db2.gz IQSSNBZGOCNVDV-UHFFFAOYSA-N 0 0 562.556 4.617 1 0 KJAFRN CS(=O)(=O)c1ccc(N2CCc3c2ncnc3OC2CCN(C(=S)Sc3ccccc3)CC2)c(F)c1 ZINC000095579773 562771675 /nfs/dbraw/zinc/77/16/75/562771675.db2.gz MYRKKFMBHGLXIA-UHFFFAOYSA-N 0 0 544.699 4.634 1 0 KJAFRN Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@H]4CCNC4=O)c(C)c3)c2)c(C)cc1Cl ZINC000095579838 562771639 /nfs/dbraw/zinc/77/16/39/562771639.db2.gz ZDOWQVSSFYTBSV-QHCPKHFHSA-N 0 0 526.058 4.660 1 0 KJAFRN Cc1c(C)c2ccc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)cc2oc1=O ZINC000095579906 562771726 /nfs/dbraw/zinc/77/17/26/562771726.db2.gz VAPBCUPMLMIYIW-UHFFFAOYSA-N 0 0 527.046 4.647 1 0 KJAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)N(C)c4ccc(C(C)C)cc4)c3)c3c2ncnc3N)C1 ZINC000095579937 562771690 /nfs/dbraw/zinc/77/16/90/562771690.db2.gz KQHAFLGEEGGMGZ-XMMPIXPASA-N 0 0 523.641 4.825 1 0 KJAFRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc([C@H]3CC=CC[C@H]3NC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000095580113 562771769 /nfs/dbraw/zinc/77/17/69/562771769.db2.gz CWFDMFDEOABHBQ-UYUXZHGPSA-N 0 0 549.586 4.561 1 0 KJAFRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc([C@H]3CC=CC[C@@H]3NC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000095580114 562771753 /nfs/dbraw/zinc/77/17/53/562771753.db2.gz CWFDMFDEOABHBQ-DBXHKYCYSA-N 0 0 549.586 4.561 1 0 KJAFRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc([C@@H]3CC=CC[C@H]3NC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000095580115 562771743 /nfs/dbraw/zinc/77/17/43/562771743.db2.gz CWFDMFDEOABHBQ-GGLGRRDASA-N 0 0 549.586 4.561 1 0 KJAFRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc([C@@H]3CC=CC[C@@H]3NC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000095580116 562771755 /nfs/dbraw/zinc/77/17/55/562771755.db2.gz CWFDMFDEOABHBQ-BPSDGTDKSA-N 0 0 549.586 4.561 1 0 KJAFRN NS(=O)(=O)c1ccc(-n2nc(Nc3ccccc3)c3c2nc(Nc2ccccc2)n(-c2ccccc2)c3=O)cc1 ZINC000095580156 562771788 /nfs/dbraw/zinc/77/17/88/562771788.db2.gz KLXYLXDFZWDWRK-UHFFFAOYSA-N 0 0 549.616 4.706 1 0 KJAFRN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)C2)cc1OC ZINC000095580585 562771864 /nfs/dbraw/zinc/77/18/64/562771864.db2.gz RNTXJZJVGJCRGQ-QHCPKHFHSA-N 0 0 558.454 4.965 1 0 KJAFRN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)C2)cc1OC ZINC000095580586 562771855 /nfs/dbraw/zinc/77/18/55/562771855.db2.gz RNTXJZJVGJCRGQ-HSZRJFAPSA-N 0 0 558.454 4.965 1 0 KJAFRN CCc1nc2ccn(Cc3c(C)noc3C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000095580931 562771986 /nfs/dbraw/zinc/77/19/86/562771986.db2.gz KVZLMWOIAUCUCF-SANMLTNESA-N 0 0 532.608 4.796 1 0 KJAFRN O=S(=O)([N-]c1ncns1)c1cc(Cl)c(Oc2ccc(OC(F)F)cc2C2CC[NH2+]CC2)cc1F ZINC000095581066 562772060 /nfs/dbraw/zinc/77/20/60/562772060.db2.gz GNCBWPZVDXKJCH-UHFFFAOYSA-N 0 0 534.969 4.992 1 0 KJAFRN O=C(CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc21)Nc1nc2ccc(C(F)(F)F)cc2s1 ZINC000095581068 562772058 /nfs/dbraw/zinc/77/20/58/562772058.db2.gz LOCPWBZGUDQMCV-UHFFFAOYSA-N 0 0 541.486 4.522 1 0 KJAFRN COc1cccc(COc2ccccc2CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000095581121 562772100 /nfs/dbraw/zinc/77/21/00/562772100.db2.gz SBOHJGCNTJSSRP-UHFFFAOYSA-N 0 0 545.724 4.641 1 0 KJAFRN COC(=O)c1cc(-c2ccc(NC(=O)c3nc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cc2)cn1C ZINC000095581195 562772105 /nfs/dbraw/zinc/77/21/05/562772105.db2.gz OUCOTVAZSLYRJX-DEOSSOPVSA-N 0 0 667.723 4.591 1 0 KJAFRN CCc1nc2ccn(CC(=O)OCc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000095581222 562772082 /nfs/dbraw/zinc/77/20/82/562772082.db2.gz KTJFAFPWSZEFRR-NDEPHWFRSA-N 0 0 571.641 4.887 1 0 KJAFRN COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095581457 562772182 /nfs/dbraw/zinc/77/21/82/562772182.db2.gz AGMSNHHEAMRJTK-NRFANRHFSA-N 0 0 543.523 4.824 1 0 KJAFRN COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095581458 562772173 /nfs/dbraw/zinc/77/21/73/562772173.db2.gz AGMSNHHEAMRJTK-OAQYLSRUSA-N 0 0 543.523 4.824 1 0 KJAFRN CCc1nc2ccn(Cc3ccncc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000095581725 562772291 /nfs/dbraw/zinc/77/22/91/562772291.db2.gz NGGYCBZCFBEEKM-SANMLTNESA-N 0 0 514.593 4.586 1 0 KJAFRN C[NH+]1CCC(c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2F)CC1 ZINC000095582052 562772450 /nfs/dbraw/zinc/77/24/50/562772450.db2.gz PEXSAJQDRXQHJF-UHFFFAOYSA-N 0 0 500.980 4.872 1 0 KJAFRN COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Br)c1Cl ZINC000095582395 562772560 /nfs/dbraw/zinc/77/25/60/562772560.db2.gz XODNHCPVNXDDHC-UHFFFAOYSA-N 0 0 530.172 4.637 1 0 KJAFRN O=S(=O)([N-]c1cscn1)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccnn2C2C[NH2+]C2)cc1F ZINC000095582419 562772551 /nfs/dbraw/zinc/77/25/51/562772551.db2.gz RNXGTDGDPOVAHZ-UHFFFAOYSA-N 0 0 523.974 4.676 1 0 KJAFRN CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(OC)cc(C(F)(F)F)cc3C(F)(F)F)CCCCC2)CC1 ZINC000095582500 562772587 /nfs/dbraw/zinc/77/25/87/562772587.db2.gz DDZGMGTXMYWFBR-UHFFFAOYSA-N 0 0 573.600 4.523 1 0 KJAFRN CCOC(=O)c1nc(NC(=O)c2cc(-c3ccc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cc3)cn2C)cn1C ZINC000095582599 562772637 /nfs/dbraw/zinc/77/26/37/562772637.db2.gz SVTPGRBHRQOEOO-VWLOTQADSA-N 0 0 681.750 4.981 1 0 KJAFRN COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2ccc(SC)cc2)C1 ZINC000095582709 562772708 /nfs/dbraw/zinc/77/27/08/562772708.db2.gz ZEPMHZRLSCRWBC-QFIPXVFZSA-N 0 0 521.620 4.527 1 0 KJAFRN COc1ccc2ccc(=O)oc2c1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccc(SC)cc2)C1 ZINC000095582710 562772704 /nfs/dbraw/zinc/77/27/04/562772704.db2.gz ZEPMHZRLSCRWBC-JOCHJYFZSA-N 0 0 521.620 4.527 1 0 KJAFRN CCCC[C@@H](OC(=O)CN(C)C)c1ccccc1C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)c1ccccc1[C@@H](CCCC)OC(=O)CN(C)C ZINC000095582795 562772734 /nfs/dbraw/zinc/77/27/34/562772734.db2.gz PPODRSAPIAYVDB-HZYZZZOTSA-N 0 0 696.838 4.907 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1[C@H](C)CC[C@H]1O)C(C)(C)C ZINC000095583033 562772764 /nfs/dbraw/zinc/77/27/64/562772764.db2.gz XZVIKZQNSLCDEK-JIAPBHOHSA-N 0 0 706.856 4.580 1 0 KJAFRN Cc1cccc(COc2ccccc2CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000095583391 562772907 /nfs/dbraw/zinc/77/29/07/562772907.db2.gz RADRYIOHTRBVDW-UHFFFAOYSA-N 0 0 529.725 4.941 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(N(C)C)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O)C(C)(C)C ZINC000095583586 562772951 /nfs/dbraw/zinc/77/29/51/562772951.db2.gz HISUUXYZTRQRQI-OGLGPCBRSA-N 0 0 751.925 4.833 1 0 KJAFRN O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)cc1F ZINC000095583900 562773068 /nfs/dbraw/zinc/77/30/68/562773068.db2.gz NOPAZNSWHUGMPN-UHFFFAOYSA-N 0 0 518.489 4.805 1 0 KJAFRN COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C(F)(F)F)CC2)ccc1Cl ZINC000095584097 562773135 /nfs/dbraw/zinc/77/31/35/562773135.db2.gz LSDONSNNNMALIB-UHFFFAOYSA-N 0 0 505.246 4.585 1 0 KJAFRN CCc1nc2ccn(Cc3ccccn3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000095584319 562773207 /nfs/dbraw/zinc/77/32/07/562773207.db2.gz XHLKCEYNQMCDRS-SANMLTNESA-N 0 0 514.593 4.586 1 0 KJAFRN COc1ccc(Cn2cnc3c4nc(=O)n(Cc5ccc(OC)cc5)c-4nc(-c4ccc(C)cc4)nc32)cc1 ZINC000095584338 562773233 /nfs/dbraw/zinc/77/32/33/562773233.db2.gz QJSHOMZKYFOTJF-UHFFFAOYSA-N 0 0 518.577 4.577 1 0 KJAFRN CC(C)[C@@H]1CC[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000095584856 562773382 /nfs/dbraw/zinc/77/33/82/562773382.db2.gz AKIYANINFFCMFR-VOQMUOSZSA-N 0 0 546.789 4.679 1 0 KJAFRN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)Nc4ccc(NS(C)(=O)=O)cc4)c(=O)oc12)CCCC3 ZINC000095585068 562773494 /nfs/dbraw/zinc/77/34/94/562773494.db2.gz NJUKMLYHBUWYKR-UHFFFAOYSA-N 0 0 508.596 4.978 1 0 KJAFRN CCCC[C@H](OC(=O)CN(C)C)c1ccccc1C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)c1ccccc1[C@H](CCCC)OC(=O)CN(C)C ZINC000095585070 562773460 /nfs/dbraw/zinc/77/34/60/562773460.db2.gz PPODRSAPIAYVDB-SLHIGMGZSA-N 0 0 696.838 4.907 1 0 KJAFRN COC(=O)c1cc(-c2ccc(NC(=O)CCCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)cc2)cn1C ZINC000095585161 562773536 /nfs/dbraw/zinc/77/35/36/562773536.db2.gz CJTCYIJVISUELD-QFIPXVFZSA-N 0 0 544.608 4.606 1 0 KJAFRN CCOC(=O)c1ccc(-c2cc3c(cc2N)N[C@@H](CC(C)C)C(=O)N(CCC(C)C)C3)c(OCCO)c1 ZINC000095585175 562773535 /nfs/dbraw/zinc/77/35/35/562773535.db2.gz ZGLHBQVCXCGJDQ-SANMLTNESA-N 0 0 511.663 4.699 1 0 KJAFRN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2nc4ccc(Cl)cc4s2)CCS3)cc1 ZINC000095585340 562773571 /nfs/dbraw/zinc/77/35/71/562773571.db2.gz UQQQFDSDRVKSAY-UHFFFAOYSA-N 0 0 517.057 4.883 1 0 KJAFRN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000095585407 562773578 /nfs/dbraw/zinc/77/35/78/562773578.db2.gz JLQUBMNGQBIQKU-UHFFFAOYSA-N 0 0 515.698 4.633 1 0 KJAFRN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000095585516 562773634 /nfs/dbraw/zinc/77/36/34/562773634.db2.gz NZBGKAQHUVWZNI-UHFFFAOYSA-N 0 0 515.698 4.633 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1CCCC[C@H]1O)C(C)(C)C ZINC000095585607 562773662 /nfs/dbraw/zinc/77/36/62/562773662.db2.gz OQJQHFBREITKNH-VCNBFOFSSA-N 0 0 706.856 4.724 1 0 KJAFRN CCc1nc2ccn(Cc3cccnc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000095585773 562773688 /nfs/dbraw/zinc/77/36/88/562773688.db2.gz VAKAMIMEKPQCGO-SANMLTNESA-N 0 0 514.593 4.586 1 0 KJAFRN COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2ccccc2OC[C@H]1O)C(C)(C)C ZINC000095585840 562773767 /nfs/dbraw/zinc/77/37/67/562773767.db2.gz CKVSHHYMRBPXHV-XIYTUFIOSA-N 0 0 756.872 4.915 1 0 KJAFRN O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3ccccc3Cl)n1-2 ZINC000095586164 562773813 /nfs/dbraw/zinc/77/38/13/562773813.db2.gz OYOISJIHFYSHAQ-UHFFFAOYSA-N 0 0 531.035 4.582 1 0 KJAFRN CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@@H](Cc1cccc2ccccc21)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000095586186 562773894 /nfs/dbraw/zinc/77/38/94/562773894.db2.gz NTNHXKAXASGAFP-AWIHTWPRSA-N 0 0 599.728 4.665 1 0 KJAFRN COc1cc2nc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc(Nc3ccc(S(C)(=O)=O)cc3)c2cc1OC ZINC000095586259 562773875 /nfs/dbraw/zinc/77/38/75/562773875.db2.gz QYOSKYNGFOIKLO-UHFFFAOYSA-N 0 0 558.657 4.572 1 0 KJAFRN O=C(Cc1cccs1)Nc1ccc2[nH]c(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc2c1 ZINC000095586344 562773950 /nfs/dbraw/zinc/77/39/50/562773950.db2.gz MWCGRUFYUVJKFO-UHFFFAOYSA-N 0 0 513.545 4.787 1 0 KJAFRN O=C(CN1CCN(Cc2cccc(F)c2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095586528 562773974 /nfs/dbraw/zinc/77/39/74/562773974.db2.gz FIPWZUNTOVEMFE-UHFFFAOYSA-N 0 0 531.035 4.582 1 0 KJAFRN CN(C)C(=O)/C=C/C=C/[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000095586738 562774132 /nfs/dbraw/zinc/77/41/32/562774132.db2.gz OTVOGPIRNXBFOT-RSVLVLEDSA-N 0 0 592.737 4.514 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095586782 562774136 /nfs/dbraw/zinc/77/41/36/562774136.db2.gz SJIDOEXYZBTNPO-MRXNPFEDSA-N 0 0 602.589 4.793 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095586783 562774133 /nfs/dbraw/zinc/77/41/33/562774133.db2.gz SJIDOEXYZBTNPO-INIZCTEOSA-N 0 0 602.589 4.793 1 0 KJAFRN O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095587185 562774225 /nfs/dbraw/zinc/77/42/25/562774225.db2.gz SZWFSEGVSHLIFU-UHFFFAOYSA-N 0 0 531.035 4.582 1 0 KJAFRN CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(=O)c3ccc(O)cc3)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000095587291 562774249 /nfs/dbraw/zinc/77/42/49/562774249.db2.gz PXEZNJMSWQVGOE-HRSZXCBJSA-N 0 0 661.704 4.755 1 0 KJAFRN COC(=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@@H]2C=C3[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@H]34)[C@@]1(C)C2=O ZINC000095587509 562774373 /nfs/dbraw/zinc/77/43/73/562774373.db2.gz CEDMQMOWXVWXRM-BBOBSANJSA-N 0 0 512.599 4.583 1 0 KJAFRN O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095587520 562774361 /nfs/dbraw/zinc/77/43/61/562774361.db2.gz CIYMNJWVZYXQJI-UHFFFAOYSA-N 0 0 531.035 4.582 1 0 KJAFRN O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1ccc2c(c1)CCc1nnc(-c3ccccc3Cl)n1-2 ZINC000095587648 562774402 /nfs/dbraw/zinc/77/44/02/562774402.db2.gz OEHRBHNBWWOPHO-UHFFFAOYSA-N 0 0 531.035 4.582 1 0 KJAFRN Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OCC(=O)N(C)C)cc2)c(=O)n1C ZINC000095587741 562774423 /nfs/dbraw/zinc/77/44/23/562774423.db2.gz IEOODTLIZBRSOS-NRFANRHFSA-N 0 0 612.432 4.659 1 0 KJAFRN COc1ccc2oc(C(=O)Nc3ccc(N4CCN(C(=O)Nc5ccccc5F)CC4)nc3)c(C)c2c1 ZINC000095587815 562774437 /nfs/dbraw/zinc/77/44/37/562774437.db2.gz UVLGNYZXPBZDNZ-UHFFFAOYSA-N 0 0 503.534 4.890 1 0 KJAFRN COc1cc2nc(Nc3ccc(S(C)(=O)=O)cc3)nc(N3CC[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)c2cc1OC ZINC000095587859 562774463 /nfs/dbraw/zinc/77/44/63/562774463.db2.gz OLDOACNQKIEVCU-UXHICEINSA-N 0 0 583.711 4.772 1 0 KJAFRN COc1cc2nc(Nc3ccc(S(C)(=O)=O)cc3F)nc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC ZINC000095587891 562774467 /nfs/dbraw/zinc/77/44/67/562774467.db2.gz ZGMCYWCATLJDPI-UHFFFAOYSA-N 0 0 576.647 4.712 1 0 KJAFRN Cc1ccc(S(=O)(=O)n2c(CN3c4ccccc4[C@@]4(NC(=O)c5ccccc5N4)C3=O)cc3cc(F)ccc32)cc1 ZINC000095588017 562774502 /nfs/dbraw/zinc/77/45/02/562774502.db2.gz KTURMYMHNKYFCQ-WJOKGBTCSA-N 0 0 566.614 4.881 1 0 KJAFRN Cc1ccc(S(=O)(=O)n2c(CN3c4ccccc4[C@]4(NC(=O)c5ccccc5N4)C3=O)cc3cc(F)ccc32)cc1 ZINC000095588018 562774500 /nfs/dbraw/zinc/77/45/00/562774500.db2.gz KTURMYMHNKYFCQ-HKBQPEDESA-N 0 0 566.614 4.881 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCc1ccc(O)cc1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000095588029 562774520 /nfs/dbraw/zinc/77/45/20/562774520.db2.gz DVPZUZPNUQETSY-FSYSLULESA-N 0 0 763.980 4.560 1 0 KJAFRN Cn1nc(C(F)(F)F)cc1-c1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)[C@H](C(=O)NC(C)(C)C)C2)s1 ZINC000095588055 562774553 /nfs/dbraw/zinc/77/45/53/562774553.db2.gz XVHCXIJZLNLRAY-HLHCFHBXSA-N 0 0 766.931 4.953 1 0 KJAFRN COC(=O)c1cc(NC(=O)c2cc(C(=O)c3cc(NC(=O)Cn4cc(C5=C(c6c[nH]c7ccccc76)C(=O)NC5=O)c5ccccc54)cn3C)cn2C)cn1C ZINC000095588060 562774550 /nfs/dbraw/zinc/77/45/50/562774550.db2.gz KFYZAASHLBCIKL-UHFFFAOYSA-N 0 0 750.772 4.614 1 0 KJAFRN COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C ZINC000095588121 562774569 /nfs/dbraw/zinc/77/45/69/562774569.db2.gz GWTWCZDLJKCGOZ-WOAHVHCUSA-N 0 0 648.878 4.524 1 0 KJAFRN COc1cc(Cn2cc(Sc3cc(OC)c(OC)c(OC)c3)c3c2nc(N)nc3C)cc(OC)c1OC ZINC000095588209 562774611 /nfs/dbraw/zinc/77/46/11/562774611.db2.gz SEUYPYZCXCVUBF-UHFFFAOYSA-N 0 0 526.615 4.573 1 0 KJAFRN CCNC(=O)c1cc(NS(=O)(=O)c2ccc(I)cc2)ccc1Oc1cncc(Cl)c1 ZINC000095588393 562774652 /nfs/dbraw/zinc/77/46/52/562774652.db2.gz DLEOYLKIYQEQPJ-UHFFFAOYSA-N 0 0 557.797 4.682 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000095588416 562774678 /nfs/dbraw/zinc/77/46/78/562774678.db2.gz WMEPJTXABHACNX-UHFFFAOYSA-N 0 0 502.493 4.704 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)cc3)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095588793 562774728 /nfs/dbraw/zinc/77/47/28/562774728.db2.gz LKAFAYRJRAFNKS-QGZVFWFLSA-N 0 0 584.599 4.654 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)cc3)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095588794 562774736 /nfs/dbraw/zinc/77/47/36/562774736.db2.gz LKAFAYRJRAFNKS-KRWDZBQOSA-N 0 0 584.599 4.654 1 0 KJAFRN COc1cc2nc(Nc3ccc(S(C)(=O)=O)cc3)nc(OC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC ZINC000095588800 562774747 /nfs/dbraw/zinc/77/47/47/562774747.db2.gz PMNRPLNHHUMDRO-UHFFFAOYSA-N 0 0 558.657 4.572 1 0 KJAFRN COc1cc2nc(Nc3ccc(S(C)(=O)=O)cc3)nc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC ZINC000095588858 562774789 /nfs/dbraw/zinc/77/47/89/562774789.db2.gz KMDWWNIUJYBSDB-UHFFFAOYSA-N 0 0 572.684 4.820 1 0 KJAFRN Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OCCN3CCOCC3)cc2)c(=O)n1C ZINC000095588968 562774764 /nfs/dbraw/zinc/77/47/64/562774764.db2.gz GJBIVQNGQNXEKB-DEOSSOPVSA-N 0 0 640.486 4.903 1 0 KJAFRN COc1cc2nc(N3CC[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3)c2cc1OC ZINC000095589093 562774849 /nfs/dbraw/zinc/77/48/49/562774849.db2.gz AVZUGDCGZCTJAU-UXHICEINSA-N 0 0 583.711 4.772 1 0 KJAFRN COc1cc2nc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000095589324 562774920 /nfs/dbraw/zinc/77/49/20/562774920.db2.gz LKPXZJQEADKKBK-UHFFFAOYSA-N 0 0 576.647 4.712 1 0 KJAFRN COc1cc2nc(N3CC[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000095589635 562774973 /nfs/dbraw/zinc/77/49/73/562774973.db2.gz WSXKNGYNBXFWOB-MSOLQXFVSA-N 0 0 601.701 4.911 1 0 KJAFRN CC(=O)O[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)[C@@H]1OC(C)=O ZINC000095589729 562775059 /nfs/dbraw/zinc/77/50/59/562775059.db2.gz DWFVZYOXOQYAAP-XQJVNEEJSA-N 0 0 646.818 4.657 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3F)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095590429 562775280 /nfs/dbraw/zinc/77/52/80/562775280.db2.gz VLVFCACGDYLMNS-OAHLLOKOSA-N 0 0 620.579 4.932 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3F)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095590430 562775282 /nfs/dbraw/zinc/77/52/82/562775282.db2.gz VLVFCACGDYLMNS-HNNXBMFYSA-N 0 0 620.579 4.932 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)cc3F)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095590507 562775234 /nfs/dbraw/zinc/77/52/34/562775234.db2.gz IWKHTOWQLMGTCW-MRXNPFEDSA-N 0 0 602.589 4.793 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)cc3F)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095590508 562775308 /nfs/dbraw/zinc/77/53/08/562775308.db2.gz IWKHTOWQLMGTCW-INIZCTEOSA-N 0 0 602.589 4.793 1 0 KJAFRN Cc1ccc(CN2CCN(CC(=O)Nc3ccc4c(c3)CCc3nnc(-c5cccc(Cl)c5)n3-4)CC2)cc1 ZINC000095590726 562775357 /nfs/dbraw/zinc/77/53/57/562775357.db2.gz DOEYKUNDFIGCPJ-UHFFFAOYSA-N 0 0 527.072 4.751 1 0 KJAFRN COc1ccc2c(cc(CN3c4ccccc4[C@]4(Nc5ccccc5C(=O)N4)C3=O)n2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000095590890 562775415 /nfs/dbraw/zinc/77/54/15/562775415.db2.gz OHDURHNOOIZOHY-JGCGQSQUSA-N 0 0 578.650 4.750 1 0 KJAFRN COc1ccc2c(cc(CN3c4ccccc4[C@@]4(Nc5ccccc5C(=O)N4)C3=O)n2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000095590891 562775375 /nfs/dbraw/zinc/77/53/75/562775375.db2.gz OHDURHNOOIZOHY-YTTGMZPUSA-N 0 0 578.650 4.750 1 0 KJAFRN CC(=O)OC(C)(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(CO)[C@H]3CC[C@]12C ZINC000095591138 562775532 /nfs/dbraw/zinc/77/55/32/562775532.db2.gz PFOFQIZGKYNMTR-ZKTPFVJWSA-N 0 0 592.814 4.510 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)Nc1cccc2ccccc21 ZINC000095591168 562775520 /nfs/dbraw/zinc/77/55/20/562775520.db2.gz HZKLVMPROVWFEC-DQEYMECFSA-N 0 0 505.615 4.761 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095591205 562775535 /nfs/dbraw/zinc/77/55/35/562775535.db2.gz AQVDJIVKYRSVFA-OAHLLOKOSA-N 0 0 606.552 4.686 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095591206 562775505 /nfs/dbraw/zinc/77/55/05/562775505.db2.gz AQVDJIVKYRSVFA-HNNXBMFYSA-N 0 0 606.552 4.686 1 0 KJAFRN CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(=O)c3ccc(N)cc3)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000095591244 562775547 /nfs/dbraw/zinc/77/55/47/562775547.db2.gz RDQBPSHUMNJMDS-HRSZXCBJSA-N 0 0 660.720 4.631 1 0 KJAFRN Cc1ccc(S(=O)(=O)n2c(CN3c4ccccc4[C@]4(Nc5ccccc5C(=O)N4)C3=O)cc3ccccc32)cc1 ZINC000095591342 562775603 /nfs/dbraw/zinc/77/56/03/562775603.db2.gz MNZHKFBXWKVVRQ-WJOKGBTCSA-N 0 0 548.624 4.742 1 0 KJAFRN Cc1ccc(S(=O)(=O)n2c(CN3c4ccccc4[C@@]4(Nc5ccccc5C(=O)N4)C3=O)cc3ccccc32)cc1 ZINC000095591343 562775635 /nfs/dbraw/zinc/77/56/35/562775635.db2.gz MNZHKFBXWKVVRQ-HKBQPEDESA-N 0 0 548.624 4.742 1 0 KJAFRN CCCC(=O)O[C@@H]1[C@@H](O)C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@@]23C)C1(C)C ZINC000095591551 562775646 /nfs/dbraw/zinc/77/56/46/562775646.db2.gz ZOISUZMEAUQXFZ-LATSIBODSA-N 0 0 632.835 4.866 1 0 KJAFRN COc1cc2nc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc(Nc3ccc(S(C)(=O)=O)cc3)c2cc1OC ZINC000095592042 562775800 /nfs/dbraw/zinc/77/58/00/562775800.db2.gz XHEPLSMOUPAYQO-UHFFFAOYSA-N 0 0 572.684 4.820 1 0 KJAFRN CCCC(=O)O[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)[C@@H]1O ZINC000095592187 562775846 /nfs/dbraw/zinc/77/58/46/562775846.db2.gz CSVDBHBRHCMITE-YZNFQJAYSA-N 0 0 632.835 4.866 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F ZINC000095592291 562775911 /nfs/dbraw/zinc/77/59/11/562775911.db2.gz ROVGAZADPLVKLT-UHFFFAOYSA-N 0 0 561.540 4.824 1 0 KJAFRN CCCCCC[NH+]1CCN(CC(=O)Nc2ccc3c(c2)CCc2nnc(-c4cccc(Cl)c4)n2-3)CC1 ZINC000095592376 562775899 /nfs/dbraw/zinc/77/58/99/562775899.db2.gz JJJMGEOWHSEZQD-UHFFFAOYSA-N 0 0 507.082 4.823 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3cccc(C4=NNC(=O)C4(C)C)c3)C(=O)C[C@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095592434 562775894 /nfs/dbraw/zinc/77/58/94/562775894.db2.gz XAOVQSVAWMQTKB-QGZVFWFLSA-N 0 0 584.599 4.654 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3cccc(C4=NNC(=O)C4(C)C)c3)C(=O)C[C@@H]2C)c2cc(C(F)(F)F)nn21 ZINC000095592435 562775931 /nfs/dbraw/zinc/77/59/31/562775931.db2.gz XAOVQSVAWMQTKB-KRWDZBQOSA-N 0 0 584.599 4.654 1 0 KJAFRN COc1cc2nc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000095592491 562775940 /nfs/dbraw/zinc/77/59/40/562775940.db2.gz VOSSCWPOBXNNMJ-UHFFFAOYSA-N 0 0 590.674 4.959 1 0 KJAFRN COc1cc2nc(Nc3ccc(S(C)(=O)=O)cc3F)nc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC ZINC000095592551 562775964 /nfs/dbraw/zinc/77/59/64/562775964.db2.gz VHFAEJZHWSBDMY-UHFFFAOYSA-N 0 0 590.674 4.959 1 0 KJAFRN CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000095592795 562776065 /nfs/dbraw/zinc/77/60/65/562776065.db2.gz FPJYICAVQCEQIA-PABBUDNQSA-N 0 0 599.728 4.665 1 0 KJAFRN O=C(CCCCCCCNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c21)N1CCN(C(=O)c2ccccc2)CC1 ZINC000095593036 562776086 /nfs/dbraw/zinc/77/60/86/562776086.db2.gz SXNXHUPVBKWOGC-UHFFFAOYSA-N 0 0 736.845 4.529 1 0 KJAFRN O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OC[C@@H](O)CO)cc2C3=O)ccc1F)c1ccccc1 ZINC000095593079 562776103 /nfs/dbraw/zinc/77/61/03/562776103.db2.gz ZPBRNNLSMHDHFY-DEOSSOPVSA-N 0 0 526.564 4.883 1 0 KJAFRN CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2cccnc2)c2ccccc2O3)cc1 ZINC000095593103 562776115 /nfs/dbraw/zinc/77/61/15/562776115.db2.gz NJHIXFGZOJNQNH-UHFFFAOYSA-N 0 0 526.681 4.959 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cc(-c5ccc(F)cc5)on3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000095593806 562776311 /nfs/dbraw/zinc/77/63/11/562776311.db2.gz CRQZGICLGVTNDQ-GVGYXHIPSA-N 0 0 602.571 4.641 1 0 KJAFRN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN4CCOCC4)c(C)c3oc2=O)ccc1O ZINC000095593915 562776371 /nfs/dbraw/zinc/77/63/71/562776371.db2.gz JNRQIVZWAIITMZ-UHFFFAOYSA-N 0 0 506.599 4.669 1 0 KJAFRN CS(=O)(=O)CC[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000095594180 562776419 /nfs/dbraw/zinc/77/64/19/562776419.db2.gz KCCOATMDUQWJPX-JKXTWKSPSA-N 0 0 538.556 4.896 1 0 KJAFRN O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(N2CCc3cc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)ccc3C2)nc1 ZINC000095594405 562776454 /nfs/dbraw/zinc/77/64/54/562776454.db2.gz BBKPCQSSKARVLD-PXLJZGITSA-N 0 0 670.814 4.989 1 0 KJAFRN NS(=O)(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 ZINC000095594436 562776468 /nfs/dbraw/zinc/77/64/68/562776468.db2.gz LWGLDHSZNIMGBL-UHFFFAOYSA-N 0 0 507.641 4.590 1 0 KJAFRN CCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095594441 562776480 /nfs/dbraw/zinc/77/64/80/562776480.db2.gz RCKBSBMMBZJDRC-WIKKSFEZSA-N 0 0 516.587 4.834 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cc(-c5ccc(C)cc5)on3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000095594527 562776483 /nfs/dbraw/zinc/77/64/83/562776483.db2.gz AJOAZDOTMLQKES-JEFBXYLFSA-N 0 0 598.608 4.810 1 0 KJAFRN Cc1ncn(-c2ccc(Oc3ncnc(N4C5CC6CC4CC(C5)N6C(=O)OC(C)(C)C)c3C)cc2)n1 ZINC000095594897 562776539 /nfs/dbraw/zinc/77/65/39/562776539.db2.gz OLHPKUPQTKGJTN-UHFFFAOYSA-N 0 0 503.607 4.586 1 0 KJAFRN O=C(NCCCN1CCCC1=O)c1cnc(NCCc2c(Cl)cccc2Cl)nc1NC1CCCC1 ZINC000095595063 562776620 /nfs/dbraw/zinc/77/66/20/562776620.db2.gz MZAPQKQYFWUBLS-UHFFFAOYSA-N 0 0 519.477 4.535 1 0 KJAFRN C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(O)c(OC)c2OC)C[C@H](C)[C@]1(C)O ZINC000095595244 562776679 /nfs/dbraw/zinc/77/66/79/562776679.db2.gz OYEBDFXJPSZPAU-MOROAYOKSA-N 0 0 516.587 4.596 1 0 KJAFRN O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1 ZINC000095595382 562776714 /nfs/dbraw/zinc/77/67/14/562776714.db2.gz IJOWGZZHIHYYGB-UHFFFAOYSA-N 0 0 513.878 4.686 1 0 KJAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 ZINC000095595496 562776707 /nfs/dbraw/zinc/77/67/07/562776707.db2.gz FVRPUAMOYQEWMD-RLAGABBFSA-N 0 0 675.852 4.896 1 0 KJAFRN O=S(=O)(NC[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)C1CC1 ZINC000095595543 562776752 /nfs/dbraw/zinc/77/67/52/562776752.db2.gz QFKNPNBHMYPRLJ-SWHMAYCHSA-N 0 0 565.582 4.543 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccc3c(c2)NC(=O)[C@@H](c2ccccc2)N=C3c2ccccc2)CC1 ZINC000095595704 562776807 /nfs/dbraw/zinc/77/68/07/562776807.db2.gz BIVLKJQERRRYEZ-LMSSTIIKSA-N 0 0 540.664 4.804 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccc3c(c2)NC(=O)[C@@H](c2ccccc2)N=C3c2ccccc2)CC1 ZINC000095595705 562776785 /nfs/dbraw/zinc/77/67/85/562776785.db2.gz BIVLKJQERRRYEZ-XRKRLSELSA-N 0 0 540.664 4.804 1 0 KJAFRN O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)c(F)cc1F)[C@@H]1CCOC1 ZINC000095596009 562776876 /nfs/dbraw/zinc/77/68/76/562776876.db2.gz BATOPTMBZYKFOD-JOCHJYFZSA-N 0 0 577.628 4.724 1 0 KJAFRN O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccc(OCCN4CCOCC4)cc2C3=O)c(F)cc1F)[C@H]1CCOC1 ZINC000095596010 562776866 /nfs/dbraw/zinc/77/68/66/562776866.db2.gz BATOPTMBZYKFOD-QFIPXVFZSA-N 0 0 577.628 4.724 1 0 KJAFRN CCOC(=O)c1cc2cc(C3C(C(=O)OCC)=C(C)NC(C)=C3C(=O)OCC)cc([C@H](C)CC)c2oc1=O ZINC000095596167 562776934 /nfs/dbraw/zinc/77/69/34/562776934.db2.gz ZUTDGLRNTJOLIQ-OAHLLOKOSA-N 0 0 525.598 4.844 1 0 KJAFRN CCOC(=O)c1cc2cc(C3C(C(=O)OCC)=C(C)NC(C)=C3C(=O)OCC)cc([C@@H](C)CC)c2oc1=O ZINC000095596168 562776916 /nfs/dbraw/zinc/77/69/16/562776916.db2.gz ZUTDGLRNTJOLIQ-HNNXBMFYSA-N 0 0 525.598 4.844 1 0 KJAFRN COc1cc(-c2cc(C(=O)N[C@@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)no2)cc(OC)c1OC ZINC000095596353 562776960 /nfs/dbraw/zinc/77/69/60/562776960.db2.gz YKPKJNKTQUWVIX-YSOPOUTOSA-N 0 0 674.659 4.528 1 0 KJAFRN Cc1cc(F)c(NC(=O)[C@@H]2CCOC2)cc1Nc1ccc2c(c1)CCc1ccc(OCCN3CCOCC3)cc1C2=O ZINC000095596433 562776945 /nfs/dbraw/zinc/77/69/45/562776945.db2.gz UFIXNLROBJVXPS-XMMPIXPASA-N 0 0 573.665 4.893 1 0 KJAFRN Cc1cc(F)c(NC(=O)[C@H]2CCOC2)cc1Nc1ccc2c(c1)CCc1ccc(OCCN3CCOCC3)cc1C2=O ZINC000095596434 562776947 /nfs/dbraw/zinc/77/69/47/562776947.db2.gz UFIXNLROBJVXPS-DEOSSOPVSA-N 0 0 573.665 4.893 1 0 KJAFRN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c21 ZINC000095596446 562776949 /nfs/dbraw/zinc/77/69/49/562776949.db2.gz RYOICSSQAZPOEL-UHFFFAOYSA-N 0 0 581.629 4.850 1 0 KJAFRN Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(N)(=O)=O)cc1 ZINC000095596734 562777070 /nfs/dbraw/zinc/77/70/70/562777070.db2.gz ZWQXVKVQRJVGDU-UHFFFAOYSA-N 0 0 521.668 4.899 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cc(-c5ccccc5)on3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000095596839 562777110 /nfs/dbraw/zinc/77/71/10/562777110.db2.gz DRRBQKJTSBWXBY-GVGYXHIPSA-N 0 0 584.581 4.502 1 0 KJAFRN COc1ccc(-c2cc(C(=O)N[C@@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)no2)cc1OC ZINC000095596870 562777122 /nfs/dbraw/zinc/77/71/22/562777122.db2.gz KXLWEGMZUNKVFP-YSOPOUTOSA-N 0 0 644.633 4.519 1 0 KJAFRN COc1ccc(OCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)c2ncc(-c3ccc4ccccc4c3)s2)C(C)C)cc1 ZINC000095596908 562777133 /nfs/dbraw/zinc/77/71/33/562777133.db2.gz GATZKZAFQHUKCI-YUZQSQGUSA-N 0 0 741.911 4.916 1 0 KJAFRN Cc1ncn(-c2ccc(Oc3ncnc(N4C5CC6CC4CC(C5)N6C(=O)OC(C)(C)C)c3C)c(F)c2)n1 ZINC000095596912 562777111 /nfs/dbraw/zinc/77/71/11/562777111.db2.gz UAOJXKOJGNIAGM-UHFFFAOYSA-N 0 0 521.597 4.725 1 0 KJAFRN O=C(NCCCN1CCCC1=O)c1cnc(NCCc2ccc(Cl)cc2Cl)nc1NC1CCCC1 ZINC000095596913 562777121 /nfs/dbraw/zinc/77/71/21/562777121.db2.gz OWWKWSJXMJLSKP-UHFFFAOYSA-N 0 0 519.477 4.535 1 0 KJAFRN COc1ccc2c(c1OC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 ZINC000095597099 562777173 /nfs/dbraw/zinc/77/71/73/562777173.db2.gz YGVKBBMLEFBXOS-LUAJHVPRSA-N 0 0 543.572 4.632 1 0 KJAFRN COc1ccc2c(c1OC(=O)/C=C/c1ccc(OC(C)=O)c(OC)c1)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 ZINC000095597100 562777138 /nfs/dbraw/zinc/77/71/38/562777138.db2.gz YGVKBBMLEFBXOS-ZHMUPQBKSA-N 0 0 543.572 4.632 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cc(-c5ccc(C)cc5)n[nH]3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000095597415 562777255 /nfs/dbraw/zinc/77/72/55/562777255.db2.gz XAVYXFKIVQAYPP-JEFBXYLFSA-N 0 0 597.624 4.545 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cc(-c5ccc(F)c(F)c5)n[nH]3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000095597519 562777264 /nfs/dbraw/zinc/77/72/64/562777264.db2.gz KVHXKSOGNWHCSF-RRSGEQLSSA-N 0 0 619.577 4.515 1 0 KJAFRN Cc1cc(OCc2cnnn2-c2cccc(I)c2)c(C)c2c1CC[C@@H]1[C@H]2OC(=O)[C@H]1C ZINC000095597754 562777287 /nfs/dbraw/zinc/77/72/87/562777287.db2.gz BTLFNWBEVZVRHB-MHALITNNSA-N 0 0 529.378 4.864 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cc(-c5ccc(F)c(F)c5)on3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000095597879 562777336 /nfs/dbraw/zinc/77/73/36/562777336.db2.gz FHNNUCHVNJDQAJ-RRSGEQLSSA-N 0 0 620.561 4.780 1 0 KJAFRN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC2(CC1)CCN(CNC(=O)c1ccco1)c1ccccc1O2 ZINC000095598068 562777319 /nfs/dbraw/zinc/77/73/19/562777319.db2.gz JSCCWCCYVJNEBD-UHFFFAOYSA-N 0 0 527.543 4.879 1 0 KJAFRN COc1cc([C@H](O)c2c3ccccc3[nH]c2-c2ccn(S(=O)(=O)c3ccccc3)c2)cc(OC)c1OC ZINC000095598255 562777358 /nfs/dbraw/zinc/77/73/58/562777358.db2.gz 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ZINC000095610809 562784618 /nfs/dbraw/zinc/78/46/18/562784618.db2.gz NLDJPJNIXHPWIS-VDRCVOBUSA-N 0 0 746.703 4.713 1 0 KJAFRN COc1ccc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3cnc(C(C)C)s3)C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cc1OC ZINC000095611063 562784818 /nfs/dbraw/zinc/78/48/18/562784818.db2.gz XTBTWTIMAZWGKX-IEFDIXSJSA-N 0 0 781.033 4.724 1 0 KJAFRN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CCN(Cc2ccn(-c3ccc(Cl)c(Cl)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095611309 562784987 /nfs/dbraw/zinc/78/49/87/562784987.db2.gz XZQIZKWFXZKEAV-NEYXLSCZSA-N 0 0 789.683 4.565 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl ZINC000095611394 562785001 /nfs/dbraw/zinc/78/50/01/562785001.db2.gz YNSDTGNDWYKMHO-NSOVKSMOSA-N 0 0 764.681 4.514 1 0 KJAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl ZINC000095611395 562784990 /nfs/dbraw/zinc/78/49/90/562784990.db2.gz 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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl ZINC000095611415 562785014 /nfs/dbraw/zinc/78/50/14/562785014.db2.gz DJRSJXFZCPLZDS-IZLXSDGUSA-N 0 0 748.682 4.809 1 0 KJAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl ZINC000095611416 562785007 /nfs/dbraw/zinc/78/50/07/562785007.db2.gz DJRSJXFZCPLZDS-VSGBNLITSA-N 0 0 748.682 4.809 1 0 KJAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)NCc1ccccn1)C(C)C ZINC000095611507 562785090 /nfs/dbraw/zinc/78/50/90/562785090.db2.gz QVOGPSKWFLBBEQ-LOFFRUMASA-N 0 0 771.359 4.690 1 0 KJAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1nc2c(cccc2F)[nH]1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000095611534 562785094 /nfs/dbraw/zinc/78/50/94/562785094.db2.gz WXOQTHSVLFHREU-PEFBYFLISA-N 0 0 777.942 4.551 1 0 KJAFRN CCOC(=O)CNC(=O)Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000095612344 562785424 /nfs/dbraw/zinc/78/54/24/562785424.db2.gz GCHGAGBNNCCHLQ-OIMFEWQJSA-N 0 0 746.905 4.758 1 0 KJAFRN CCOC(=O)CNC(=O)Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000095612345 562785411 /nfs/dbraw/zinc/78/54/11/562785411.db2.gz GCHGAGBNNCCHLQ-KQZINBHKSA-N 0 0 746.905 4.758 1 0 KJAFRN CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)/C=C/CCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000095612529 562785613 /nfs/dbraw/zinc/78/56/13/562785613.db2.gz RVKDOPZXTQZHGI-MLCALPEUSA-N 0 0 800.010 4.926 1 0 KJAFRN CCC[C@@H](NC(=O)[C@@H]1Cc2cccc(c2)/C=C/CCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000095612530 562785646 /nfs/dbraw/zinc/78/56/46/562785646.db2.gz RVKDOPZXTQZHGI-XCIZRCECSA-N 0 0 800.010 4.926 1 0 KJAFRN CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)c4ccnc5ccccc54)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C ZINC000095612597 562785651 /nfs/dbraw/zinc/78/56/51/562785651.db2.gz VAULVQPHSHTXSJ-NVCFCFSYSA-N 0 0 769.844 4.996 1 0 KJAFRN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2OC(=O)N3C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H]2N(c3ccc(N4CCOCC4)c(F)c3)C(=O)O[C@@]21C ZINC000095612605 562785654 /nfs/dbraw/zinc/78/56/54/562785654.db2.gz NQPFXLIJGNZYRC-VEIMUWOESA-N 0 0 803.922 4.899 1 0 KJAFRN COc1ccc2cc(/C=C/C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]5[C@]6(OC(C)=O)CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](O)C(=C3C)C4(C)C)ccc2c1 ZINC000095612611 562785649 /nfs/dbraw/zinc/78/56/49/562785649.db2.gz ZERWBEDGWWXDFM-UVALZXRBSA-N 0 0 754.829 4.508 1 0 KJAFRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)C(OC(=O)CN(C)C)=C3C(C)[C@@H](OC(=O)C=Cc4ccc5ccccc5c4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000095612688 562785729 /nfs/dbraw/zinc/78/57/29/562785729.db2.gz YOVNUYGXRMBFOY-QYVIVGNJSA-N 0 0 809.909 4.612 1 0 KJAFRN CC(=O)OC1=C2C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)CCc4cccc5ccccc54)[C@@]3(C)C1=O)C2(C)C ZINC000095612706 562785776 /nfs/dbraw/zinc/78/57/76/562785776.db2.gz PEYIEKHQZXYMNW-UGMLGHPHSA-N 0 0 768.856 4.990 1 0 KJAFRN Cc1cc2c(c(-c3cc(C)cc4c3O[P@](=O)(OC[C@@H]3C=C[C@H](n5cc(C)c(=O)[nH]c5=O)O3)OC4)c1)O[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000095612753 562785793 /nfs/dbraw/zinc/78/57/93/562785793.db2.gz LCENIOIBBAMNNL-VAWOPRMLSA-N 0 0 810.646 4.662 1 0 KJAFRN Cc1cc2c(c(-c3cc(C)cc4c3O[P@](=O)(OC[C@@H]3C=C[C@H](n5cc(C)c(=O)[nH]c5=O)O3)OC4)c1)O[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000095612754 562785794 /nfs/dbraw/zinc/78/57/94/562785794.db2.gz LCENIOIBBAMNNL-QQXCNCLUSA-N 0 0 810.646 4.662 1 0 KJAFRN Cc1cc2c(c(-c3cc(C)cc4c3O[P@@](=O)(OC[C@@H]3C=C[C@H](n5cc(C)c(=O)[nH]c5=O)O3)OC4)c1)O[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000095612755 562785806 /nfs/dbraw/zinc/78/58/06/562785806.db2.gz LCENIOIBBAMNNL-WNARCYJOSA-N 0 0 810.646 4.662 1 0 KJAFRN COc1ccc(C(=O)O[C@H]2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc5ccccc5c4)C[C@]2(O)C3(C)C)cc1 ZINC000095612836 562785852 /nfs/dbraw/zinc/78/58/52/562785852.db2.gz BSDLWMCGFFHLQX-IBDUXIABSA-N 0 0 754.829 4.508 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(O)cc1 ZINC000095612840 562785867 /nfs/dbraw/zinc/78/58/67/562785867.db2.gz ODITUHUVVNPYSK-KVBYWJEESA-N 0 0 762.864 4.615 1 0 KJAFRN O=C(OC[C@H]1O[C@H](OC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2ccc(O)cc2)[C@@H](OC(=O)c2ccc(O)cc2)[C@@H]1OC(=O)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000095612866 562785894 /nfs/dbraw/zinc/78/58/94/562785894.db2.gz MRXOVSUHCLNUNL-MJSUJZIKSA-N 0 0 780.691 4.630 1 0 KJAFRN O=C(C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCN(N2CCCC2)CC1 ZINC000095612997 562785967 /nfs/dbraw/zinc/78/59/67/562785967.db2.gz KGFCKFAAIUYBFY-JDJNTPLHSA-N 0 0 744.815 4.722 1 0 KJAFRN CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)/C=C/c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](OC(C)=O)[C@H](OC(=O)c4cccnc4)[C@@](C)(O)[C@@]13OC2(C)C ZINC000095613103 562786064 /nfs/dbraw/zinc/78/60/64/562786064.db2.gz KVALLMPODLLLKE-SYHRUHNWSA-N 0 0 741.790 4.660 1 0 KJAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CCC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000095613380 562786291 /nfs/dbraw/zinc/78/62/91/562786291.db2.gz NDTPEMWJSOITMC-QOEXFKEZSA-N 0 0 810.997 4.792 1 0 KJAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CCC(=O)N(C)[C@H](Cc1ccccc1)C(N)=O ZINC000095613381 562786282 /nfs/dbraw/zinc/78/62/82/562786282.db2.gz NDTPEMWJSOITMC-HKIDPNTFSA-N 0 0 810.997 4.792 1 0 KJAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CCC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000095613382 562786302 /nfs/dbraw/zinc/78/63/02/562786302.db2.gz NDTPEMWJSOITMC-FSEITFBQSA-N 0 0 810.997 4.792 1 0 KJAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CCC(=O)N(C)[C@H](Cc1ccccc1)C(N)=O ZINC000095613383 562786269 /nfs/dbraw/zinc/78/62/69/562786269.db2.gz NDTPEMWJSOITMC-AGSXMJPOSA-N 0 0 810.997 4.792 1 0 KJAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000095613387 562786284 /nfs/dbraw/zinc/78/62/84/562786284.db2.gz PEZFXOMZARNMFX-QOEXFKEZSA-N 0 0 810.997 4.840 1 0 KJAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N(C)[C@H](Cc1ccccc1)C(N)=O ZINC000095613388 562786285 /nfs/dbraw/zinc/78/62/85/562786285.db2.gz PEZFXOMZARNMFX-HKIDPNTFSA-N 0 0 810.997 4.840 1 0 KJAFRN 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/nfs/dbraw/zinc/78/83/95/562788395.db2.gz UXWLRKDZMLSPET-HNPLUWAHSA-N 0 0 565.617 4.864 1 0 KJAFRN CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@H]1C ZINC000095681063 562788422 /nfs/dbraw/zinc/78/84/22/562788422.db2.gz RHEHVATZTGTXSO-BXOOBUKZSA-N 0 0 561.654 4.653 1 0 KJAFRN CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2OC[C@H](C)N(C(=O)c2ccccc2F)C[C@@H]1C ZINC000095681065 562788419 /nfs/dbraw/zinc/78/84/19/562788419.db2.gz RHEHVATZTGTXSO-IHMCZWCLSA-N 0 0 561.654 4.653 1 0 KJAFRN CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095688016 562788410 /nfs/dbraw/zinc/78/84/10/562788410.db2.gz JMRLBNIXEXNYJG-JVAKCPTJSA-N 0 0 565.617 4.864 1 0 KJAFRN CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000095688017 562788427 /nfs/dbraw/zinc/78/84/27/562788427.db2.gz JMRLBNIXEXNYJG-TWUWCHPWSA-N 0 0 565.617 4.864 1 0 KJAFRN CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cc(F)ccc1F)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689954 562788431 /nfs/dbraw/zinc/78/84/31/562788431.db2.gz QXVLXOALVVIWSG-LJKQEARRSA-N 0 0 517.617 4.710 1 0 KJAFRN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)Oc2ncc(/C=C/c3ccccc3)cc2C1=O ZINC000095701302 562788566 /nfs/dbraw/zinc/78/85/66/562788566.db2.gz GEHBWZFXDBMFCQ-CPXBNSDLSA-N 0 0 505.659 4.511 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)Oc2ncc(/C=C/c3ccccc3)cc2C1=O ZINC000095701305 562788561 /nfs/dbraw/zinc/78/85/61/562788561.db2.gz GEHBWZFXDBMFCQ-XKKULULISA-N 0 0 505.659 4.511 1 0 KJAFRN COc1ccc(NC(=O)N(C)C[C@@H]2Oc3cc(-c4ccc(C)cc4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095714325 562788688 /nfs/dbraw/zinc/78/86/88/562788688.db2.gz USFVOIRXAQOSNF-VPYPWEPUSA-N 0 0 567.708 4.603 1 0 KJAFRN COc1ccc(NC(=O)N(C)C[C@@H]2Oc3cc(-c4ccc(C)cc4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095714331 562788681 /nfs/dbraw/zinc/78/86/81/562788681.db2.gz USFVOIRXAQOSNF-TYPXCFOJSA-N 0 0 567.708 4.603 1 0 KJAFRN COc1ccc(NC(=O)N(C)C[C@@H]2Oc3cc(-c4ccc(C)cc4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095714335 562788668 /nfs/dbraw/zinc/78/86/68/562788668.db2.gz USFVOIRXAQOSNF-XJGOYTCSSA-N 0 0 567.708 4.603 1 0 KJAFRN COc1ccc(NC(=O)N(C)C[C@@H]2Oc3cc(-c4ccc(C)cc4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095714337 562788649 /nfs/dbraw/zinc/78/86/49/562788649.db2.gz USFVOIRXAQOSNF-WENCSYSZSA-N 0 0 567.708 4.603 1 0 KJAFRN COc1ccc(NC(=O)N(C)C[C@H]2Oc3cc(-c4ccc(C)cc4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095714340 562788646 /nfs/dbraw/zinc/78/86/46/562788646.db2.gz USFVOIRXAQOSNF-PFPZSTESSA-N 0 0 567.708 4.603 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095714773 562788675 /nfs/dbraw/zinc/78/86/75/562788675.db2.gz ZAYKSNRHZVHHMJ-RWZPLNDZSA-N 0 0 567.683 4.929 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095714775 562788684 /nfs/dbraw/zinc/78/86/84/562788684.db2.gz ZAYKSNRHZVHHMJ-JBLYRJRPSA-N 0 0 567.683 4.929 1 0 KJAFRN COc1cccc(NC(=O)N(C)C[C@H]2Oc3ncc(/C=C/c4ccccc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)c1 ZINC000095731399 562788731 /nfs/dbraw/zinc/78/87/31/562788731.db2.gz YCWRHWKUOUGHRQ-UNDUUJOFSA-N 0 0 544.652 4.645 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095735283 562788764 /nfs/dbraw/zinc/78/87/64/562788764.db2.gz DIBJIDYNEHVBAV-CIPLSMMKSA-N 0 0 555.741 4.600 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095735907 562788780 /nfs/dbraw/zinc/78/87/80/562788780.db2.gz HDHYOMUMYQWAQB-GAQVVXLESA-N 0 0 735.897 4.751 1 0 KJAFRN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095755358 562788950 /nfs/dbraw/zinc/78/89/50/562788950.db2.gz DODOMVFYZBDRPB-GUARRIROSA-N 0 0 653.201 4.554 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095755359 562788978 /nfs/dbraw/zinc/78/89/78/562788978.db2.gz DODOMVFYZBDRPB-XASJVRKQSA-N 0 0 653.201 4.554 1 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095755361 562788927 /nfs/dbraw/zinc/78/89/27/562788927.db2.gz DODOMVFYZBDRPB-KFCPHXPSSA-N 0 0 653.201 4.554 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095755362 562788943 /nfs/dbraw/zinc/78/89/43/562788943.db2.gz DODOMVFYZBDRPB-WPHQEQLXSA-N 0 0 653.201 4.554 1 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CC2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095772113 562788973 /nfs/dbraw/zinc/78/89/73/562788973.db2.gz IYCVLTDEPWEIGA-FPZRTEDSSA-N 0 0 607.839 4.686 1 0 KJAFRN CCC[N@H+](C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095773174 562788990 /nfs/dbraw/zinc/78/89/90/562788990.db2.gz NZFAVQJJGPFPMC-MTPWMDRRSA-N 0 0 595.828 4.686 1 0 KJAFRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@H](C)O3)cc1 ZINC000095773344 562789019 /nfs/dbraw/zinc/78/90/19/562789019.db2.gz OKCBYNTZIRANME-IAYPMUAMSA-N 0 0 717.907 4.612 1 0 KJAFRN CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)O2 ZINC000095776194 562789074 /nfs/dbraw/zinc/78/90/74/562789074.db2.gz NPRRWKGRZALGNG-BTKWVRSESA-N 0 0 616.722 4.813 1 0 KJAFRN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@H+](C)Cc1ccc3c(c1)OCO3)OCCCC[C@@H](C)O2 ZINC000095781674 562789050 /nfs/dbraw/zinc/78/90/50/562789050.db2.gz JMAGDYLBMGAGJH-MHKBJHHRSA-N 0 0 700.855 4.748 1 0 KJAFRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)OCCCC[C@@H](C)O3)cc1 ZINC000095781976 562789094 /nfs/dbraw/zinc/78/90/94/562789094.db2.gz GWNYCBOFPRGHHP-KUXNCQQFSA-N 0 0 707.937 4.974 1 0 KJAFRN COc1ccc2c(c1)[nH]c1c2C2(CCN(S(=O)(=O)c3ccccc3)CC2)CN(C(=O)Nc2ccc(F)cc2)[C@H]1CO ZINC000095793824 562789140 /nfs/dbraw/zinc/78/91/40/562789140.db2.gz JYAIXQDGEWIMSB-SANMLTNESA-N 0 0 578.666 4.619 1 0 KJAFRN COc1ccc2c(c1)[nH]c1c2C2(CN(Cc3cc(F)ccc3F)C2)CN(C(=O)Nc2ccc(F)cc2)[C@@H]1CO ZINC000095796335 562789127 /nfs/dbraw/zinc/78/91/27/562789127.db2.gz BJRYPPFZJFOGRI-RUZDIDTESA-N 0 0 536.554 4.929 1 0 KJAFRN COc1ccc2c(c1)n(C)c1c2C2(CN(Cc3ccccc3F)C2)CN(C(=O)Nc2ccc(F)cc2)[C@@H]1CO ZINC000095796389 562789182 /nfs/dbraw/zinc/78/91/82/562789182.db2.gz JRLXFBMHYXIOPB-AREMUKBSSA-N 0 0 532.591 4.800 1 0 KJAFRN COc1ccc2c(c1)[nH]c1c2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(C(=O)Cc2ccccc2)[C@H]1CO ZINC000095796586 562789166 /nfs/dbraw/zinc/78/91/66/562789166.db2.gz UMKWVNJRYUYNAG-MHZLTWQESA-N 0 0 556.638 5.000 1 0 KJAFRN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc1ccc3c(c1)OCO3)OCCCC[C@@H](C)O2 ZINC000095820348 562789260 /nfs/dbraw/zinc/78/92/60/562789260.db2.gz JMAGDYLBMGAGJH-RIVRSQNBSA-N 0 0 700.855 4.748 1 0 KJAFRN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095833566 562789364 /nfs/dbraw/zinc/78/93/64/562789364.db2.gz KPQKQQYGPJGIFD-LZJCXSABSA-N 0 0 631.711 4.661 1 0 KJAFRN COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095833671 562789365 /nfs/dbraw/zinc/78/93/65/562789365.db2.gz XXYSEAIXSSZIKH-PBDKAQRYSA-N 0 0 575.666 4.723 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095833829 562789398 /nfs/dbraw/zinc/78/93/98/562789398.db2.gz ZTQTYPUKHWNDGM-BVFVYWQFSA-N 0 0 563.630 4.854 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095833834 562789405 /nfs/dbraw/zinc/78/94/05/562789405.db2.gz FOXYLKMUXHXVRS-YZIHRLCOSA-N 0 0 545.640 4.715 1 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095834843 562789380 /nfs/dbraw/zinc/78/93/80/562789380.db2.gz KPQKQQYGPJGIFD-MVYHEMRASA-N 0 0 631.711 4.661 1 0 KJAFRN COc1ccc(NC(=O)N(C)C[C@@H]2Oc3c(NC(=O)c4nc5ccccc5s4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095835416 562789435 /nfs/dbraw/zinc/78/94/35/562789435.db2.gz PCWIAFLPHYHMOC-GOHWNWGWSA-N 0 0 617.728 4.941 1 0 KJAFRN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095836062 562789425 /nfs/dbraw/zinc/78/94/25/562789425.db2.gz RNQLZDLQZBKLSR-RWYJCYHVSA-N 0 0 607.639 4.582 1 0 KJAFRN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095846577 562789536 /nfs/dbraw/zinc/78/95/36/562789536.db2.gz FEYBLBFDAMWCAP-OSOCVKALSA-N 0 0 623.669 4.997 1 0 KJAFRN CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095847753 562789494 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O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000096170284 562791116 /nfs/dbraw/zinc/79/11/16/562791116.db2.gz CHQBLUPTDYWMRG-UHFFFAOYSA-N 0 0 515.013 4.748 1 0 KJAFRN CC1(C(=O)N2CCN(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)CC1 ZINC000096170429 562791117 /nfs/dbraw/zinc/79/11/17/562791117.db2.gz FGKABCDGMSEXPW-AJTFRIOCSA-N 0 0 531.484 4.937 1 0 KJAFRN CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@]2(C4)c3cccnc3NC2=O)C2(CCCCCC2)C1=O ZINC000096170596 562791171 /nfs/dbraw/zinc/79/11/71/562791171.db2.gz LKPQQCXDPLXKAE-PMERELPUSA-N 0 0 523.637 4.884 1 0 KJAFRN O=C1Nc2ncccc2[C@@]12Cc1cc3cc(CN4C(=O)C5(CCCC5)NC[C@H]4c4cc(F)cc(F)c4)cnc3cc1C2 ZINC000096170597 562791177 /nfs/dbraw/zinc/79/11/77/562791177.db2.gz VCQGONQFGTXLMA-IUDBTDONSA-N 0 0 565.624 4.883 1 0 KJAFRN CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@]2(C4)c3cccnc3NC2=O)[C@](C)(c2ccccc2)C1=O ZINC000096170601 562791161 /nfs/dbraw/zinc/79/11/61/562791161.db2.gz MPLXWSJVOSISNE-ZWXJPIIXSA-N 0 0 531.616 4.707 1 0 KJAFRN CCOC(=O)N=[S@](=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 ZINC000096170616 562791187 /nfs/dbraw/zinc/79/11/87/562791187.db2.gz HATXFEHOSXEUOA-QJCAQRTLSA-N 0 0 514.446 4.557 1 0 KJAFRN CC(C)Oc1ccc2c(c1)n(Cc1ccccn1)c(C1=NCCO1)c2C(=O)NCc1ccc(F)c(F)c1 ZINC000096172128 562791288 /nfs/dbraw/zinc/79/12/88/562791288.db2.gz MGJAWFRPRHHYON-UHFFFAOYSA-N 0 0 504.537 4.857 1 0 KJAFRN COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CC4)C[C@@H]4CCOC4)c(OC)nn32)c(OC)c1 ZINC000096172524 562791352 /nfs/dbraw/zinc/79/13/52/562791352.db2.gz HWMRMVOALJQFBS-SFHVURJKSA-N 0 0 501.649 4.796 1 0 KJAFRN COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CC4)C[C@H]4CCOC4)c(OC)nn32)c(OC)c1 ZINC000096172525 562791333 /nfs/dbraw/zinc/79/13/33/562791333.db2.gz HWMRMVOALJQFBS-GOSISDBHSA-N 0 0 501.649 4.796 1 0 KJAFRN CCOCc1cc(OC)c(-c2csc3c(N(CCCF)C4CCOCC4)c(OC)nn23)c(OC)c1 ZINC000096172562 562791349 /nfs/dbraw/zinc/79/13/49/562791349.db2.gz NRFRMONWFVMNCT-UHFFFAOYSA-N 0 0 507.628 4.970 1 0 KJAFRN COCc1cc(OC)c(-c2csc3c(N(CCCF)Cc4ccncc4)c(OC)nn23)c(OC)c1 ZINC000096172605 562791350 /nfs/dbraw/zinc/79/13/50/562791350.db2.gz ZJQPLFWANVDYHR-UHFFFAOYSA-N 0 0 500.596 4.996 1 0 KJAFRN COCc1cc(OC)c(-c2csc3c(N(CCCF)Cc4cccnc4)c(OC)nn23)c(OC)c1 ZINC000096172606 562791356 /nfs/dbraw/zinc/79/13/56/562791356.db2.gz SXHBMFDRCXYUBY-UHFFFAOYSA-N 0 0 500.596 4.996 1 0 KJAFRN COCc1cc(OC)c(-c2csc3c(N(CCCF)Cc4ccccn4)c(OC)nn23)c(OC)c1 ZINC000096172607 562791343 /nfs/dbraw/zinc/79/13/43/562791343.db2.gz FAWAPPFMAIHFTL-UHFFFAOYSA-N 0 0 500.596 4.996 1 0 KJAFRN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cn3)c3nccnc23)c1Cl ZINC000096173396 562791377 /nfs/dbraw/zinc/79/13/77/562791377.db2.gz RIMKDCPGPONIFA-UHFFFAOYSA-N 0 0 581.460 4.656 1 0 KJAFRN COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 ZINC000096173885 562791569 /nfs/dbraw/zinc/79/15/69/562791569.db2.gz YSSONUCZBHLAKQ-ROJLCIKYSA-N 0 0 599.695 4.955 1 0 KJAFRN O=C(c1ccco1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174025 562791585 /nfs/dbraw/zinc/79/15/85/562791585.db2.gz ZEOBYHATVDMOHO-UHFFFAOYSA-N 0 0 503.566 4.604 1 0 KJAFRN COc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096174035 562791583 /nfs/dbraw/zinc/79/15/83/562791583.db2.gz FYOCHVKIMVUNRG-UHFFFAOYSA-N 0 0 510.579 4.540 1 0 KJAFRN COc1cccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1 ZINC000096174047 562791613 /nfs/dbraw/zinc/79/16/13/562791613.db2.gz RJLZXOBAGVYDJS-UHFFFAOYSA-N 0 0 510.579 4.540 1 0 KJAFRN O=C(C1CCCC1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174066 562791676 /nfs/dbraw/zinc/79/16/76/562791676.db2.gz IZXUNKAVQFQTOV-UHFFFAOYSA-N 0 0 505.626 4.888 1 0 KJAFRN O=C(Cc1ccccc1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174073 562791664 /nfs/dbraw/zinc/79/16/64/562791664.db2.gz XTQWBTSQFAQQQQ-UHFFFAOYSA-N 0 0 527.632 4.940 1 0 KJAFRN O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174091 562791625 /nfs/dbraw/zinc/79/16/25/562791625.db2.gz SFMJHEPPWBWXSS-UHFFFAOYSA-N 0 0 557.614 4.740 1 0 KJAFRN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174143 562791765 /nfs/dbraw/zinc/79/17/65/562791765.db2.gz JMPRDJFYASOJOJ-UHFFFAOYSA-N 0 0 523.597 4.746 1 0 KJAFRN CCN(c1cc2nn(-c3ccc(Nc4ccc(F)cc4)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174167 562791759 /nfs/dbraw/zinc/79/17/59/562791759.db2.gz WCXFNNXNOQUUDC-UHFFFAOYSA-N 0 0 521.618 4.931 1 0 KJAFRN CCN(c1cc2nn(-c3ccc(Oc4ccccc4F)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174168 562791735 /nfs/dbraw/zinc/79/17/35/562791735.db2.gz WIKNWPURDVYNBX-UHFFFAOYSA-N 0 0 522.602 4.980 1 0 KJAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ccccc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174178 562791762 /nfs/dbraw/zinc/79/17/62/562791762.db2.gz UGUXNFBCOWHAGR-UHFFFAOYSA-N 0 0 624.561 4.611 1 0 KJAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cccc(OC)c3F)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174186 562791738 /nfs/dbraw/zinc/79/17/38/562791738.db2.gz SXWDIWHTXSYGLD-UHFFFAOYSA-N 0 0 672.577 4.759 1 0 KJAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174199 562791792 /nfs/dbraw/zinc/79/17/92/562791792.db2.gz YWQNEOKUXRIHPA-UHFFFAOYSA-N 0 0 605.555 4.580 1 0 KJAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCSC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174200 562791812 /nfs/dbraw/zinc/79/18/12/562791812.db2.gz CWLCKBBMTUZKTH-UHFFFAOYSA-N 0 0 551.532 4.544 1 0 KJAFRN CCS(=O)(=O)CC[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000096174728 562791832 /nfs/dbraw/zinc/79/18/32/562791832.db2.gz NUJDJWKCIASTLB-WIRVKHDMSA-N 0 0 519.031 4.921 1 0 KJAFRN COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(N5CCOCC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175738 562791882 /nfs/dbraw/zinc/79/18/82/562791882.db2.gz BGNVTFXYUJCIHN-UHFFFAOYSA-N 0 0 619.748 4.843 1 0 KJAFRN COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(N5CC[C@H](N6CCOCC6)C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175740 562791907 /nfs/dbraw/zinc/79/19/07/562791907.db2.gz XTJXCYWSPWJKOC-VWLOTQADSA-N 0 0 688.855 4.918 1 0 KJAFRN COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(N5CC[C@@H](N6CCOCC6)C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175741 562791887 /nfs/dbraw/zinc/79/18/87/562791887.db2.gz XTJXCYWSPWJKOC-RUZDIDTESA-N 0 0 688.855 4.918 1 0 KJAFRN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2OCCO)N(c2nc4cc(OC)ccc4s2)C3=O)cc1 ZINC000096177125 562792367 /nfs/dbraw/zinc/79/23/67/562792367.db2.gz IYTYWVOUFWKUAK-AREMUKBSSA-N 0 0 528.590 4.825 1 0 KJAFRN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2OCCO)N(c2nc4ccc(OC)cc4s2)C3=O)cc1 ZINC000096177126 562792381 /nfs/dbraw/zinc/79/23/81/562792381.db2.gz UPKKEMWTPBCPJG-AREMUKBSSA-N 0 0 528.590 4.825 1 0 KJAFRN C[S@@](=O)CCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177176 562792418 /nfs/dbraw/zinc/79/24/18/562792418.db2.gz IQPORZKSIUGYLE-TVYQXRCNSA-N 0 0 504.612 4.869 1 0 KJAFRN CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000096177824 562792401 /nfs/dbraw/zinc/79/24/01/562792401.db2.gz MVWDYFOJQAABRA-LOSJGSFVSA-N 0 0 549.474 4.874 1 0 KJAFRN COc1cc(C2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nc2n[nH]c(C)c2c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000096177930 562792488 /nfs/dbraw/zinc/79/24/88/562792488.db2.gz NZIJCOVGFRWEHQ-UHFFFAOYSA-N 0 0 655.847 4.872 1 0 KJAFRN C[C@@H](c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CC[C@](CC(C)(C)NS(C)(=O)=O)(c2ccccc2)OC1=O ZINC000096178503 562792668 /nfs/dbraw/zinc/79/26/68/562792668.db2.gz DHQQQLDMCDRKDE-MMTVBGGISA-N 0 0 523.655 4.559 1 0 KJAFRN C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)NS(C)(=O)=O)(c2ccccc2)OC1=O ZINC000096178504 562792664 /nfs/dbraw/zinc/79/26/64/562792664.db2.gz GGHPQOJNWSZRAM-LGGPFLRQSA-N 0 0 537.682 4.569 1 0 KJAFRN C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)N(C)S(C)(=O)=O)(c2ccccc2)OC1=O ZINC000096178505 562792713 /nfs/dbraw/zinc/79/27/13/562792713.db2.gz UOFHAKNWIMSZCG-CHJDUVSTSA-N 0 0 551.709 4.911 1 0 KJAFRN C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](CC(C)(C)NS(C)(=O)=O)(c2ccccc2)OC1=O ZINC000096178565 562792697 /nfs/dbraw/zinc/79/26/97/562792697.db2.gz CAEOOKKRMGTKDA-LGGPFLRQSA-N 0 0 537.682 4.569 1 0 KJAFRN C[C@@H](Oc1c[nH]c(=O)c(-c2nc3cc(C(=O)NCCN4CCOCC4)ccc3[nH]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258121 562792816 /nfs/dbraw/zinc/79/28/16/562792816.db2.gz YKBMCRKMIUWRNN-OAHLLOKOSA-N 0 0 574.440 4.566 1 0 KJAFRN C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258140 562792797 /nfs/dbraw/zinc/79/27/97/562792797.db2.gz WZMOALQSKGSYTG-MRXNPFEDSA-N 0 0 550.414 4.924 1 0 KJAFRN COC(=O)c1sccc1NC(=O)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000096258228 562792806 /nfs/dbraw/zinc/79/28/06/562792806.db2.gz SOPDDXGZGRDZAS-UHFFFAOYSA-N 0 0 507.656 4.923 1 0 KJAFRN O=C(Nc1nccc(-c2nccs2)n1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000096258235 562792829 /nfs/dbraw/zinc/79/28/29/562792829.db2.gz ORUOLRHRKNXXRV-UHFFFAOYSA-N 0 0 528.682 4.988 1 0 KJAFRN COc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000096258657 562792956 /nfs/dbraw/zinc/79/29/56/562792956.db2.gz WQERLKAGPFFGAY-UHFFFAOYSA-N 0 0 540.624 4.644 1 0 KJAFRN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000096270350 562793194 /nfs/dbraw/zinc/79/31/94/562793194.db2.gz OZNNLTHUCONJHQ-MHZLTWQESA-N 0 0 518.566 4.663 1 0 KJAFRN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000096270351 562793208 /nfs/dbraw/zinc/79/32/08/562793208.db2.gz OZNNLTHUCONJHQ-HHHXNRCGSA-N 0 0 518.566 4.663 1 0 KJAFRN CC(C)(C)c1cc(NC(=O)NCc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2)no1 ZINC000096270650 562793328 /nfs/dbraw/zinc/79/33/28/562793328.db2.gz GEDYWUPVBNHAFW-UHFFFAOYSA-N 0 0 587.681 4.647 1 0 KJAFRN O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)n[nH]2)cc1)Nc1ccc(F)cc1 ZINC000096270653 562793321 /nfs/dbraw/zinc/79/33/21/562793321.db2.gz IIWNWGTVQWYQGV-UHFFFAOYSA-N 0 0 558.614 4.501 1 0 KJAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2)no1 ZINC000096270659 562793309 /nfs/dbraw/zinc/79/33/09/562793309.db2.gz IJYDTCORQZBRMY-UHFFFAOYSA-N 0 0 573.654 4.970 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270897 562793475 /nfs/dbraw/zinc/79/34/75/562793475.db2.gz STEPCDIKNHKBAS-AWEZNQCLSA-N 0 0 543.514 4.749 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270898 562793503 /nfs/dbraw/zinc/79/35/03/562793503.db2.gz STEPCDIKNHKBAS-CQSZACIVSA-N 0 0 543.514 4.749 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270905 562793441 /nfs/dbraw/zinc/79/34/41/562793441.db2.gz XNFPWYWMCYIYGM-INIZCTEOSA-N 0 0 539.551 4.652 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270906 562793478 /nfs/dbraw/zinc/79/34/78/562793478.db2.gz XNFPWYWMCYIYGM-MRXNPFEDSA-N 0 0 539.551 4.652 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270907 562793481 /nfs/dbraw/zinc/79/34/81/562793481.db2.gz FBHDYYFOUQYWAU-HNNXBMFYSA-N 0 0 525.524 4.610 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270908 562793490 /nfs/dbraw/zinc/79/34/90/562793490.db2.gz FBHDYYFOUQYWAU-OAHLLOKOSA-N 0 0 525.524 4.610 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270911 562793528 /nfs/dbraw/zinc/79/35/28/562793528.db2.gz PSNFMABSQFPXLH-AWEZNQCLSA-N 0 0 511.497 4.823 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270912 562793560 /nfs/dbraw/zinc/79/35/60/562793560.db2.gz PSNFMABSQFPXLH-CQSZACIVSA-N 0 0 511.497 4.823 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270921 562793564 /nfs/dbraw/zinc/79/35/64/562793564.db2.gz OFQBDQLVKHWEQZ-HNNXBMFYSA-N 0 0 531.572 4.990 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270922 562793526 /nfs/dbraw/zinc/79/35/26/562793526.db2.gz OFQBDQLVKHWEQZ-OAHLLOKOSA-N 0 0 531.572 4.990 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270923 562793554 /nfs/dbraw/zinc/79/35/54/562793554.db2.gz DTBMJHFLGHNUPY-AWEZNQCLSA-N 0 0 517.545 4.600 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270924 562793550 /nfs/dbraw/zinc/79/35/50/562793550.db2.gz DTBMJHFLGHNUPY-CQSZACIVSA-N 0 0 517.545 4.600 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1Cc2ccccc2C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270929 562793514 /nfs/dbraw/zinc/79/35/14/562793514.db2.gz AJWMPJDGSRZQJW-HNNXBMFYSA-N 0 0 551.562 4.577 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1Cc2ccccc2C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270930 562793530 /nfs/dbraw/zinc/79/35/30/562793530.db2.gz AJWMPJDGSRZQJW-OAHLLOKOSA-N 0 0 551.562 4.577 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270931 562793520 /nfs/dbraw/zinc/79/35/20/562793520.db2.gz HVTZMXBJKILTDB-INIZCTEOSA-N 0 0 618.650 4.809 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270932 562793542 /nfs/dbraw/zinc/79/35/42/562793542.db2.gz HVTZMXBJKILTDB-MRXNPFEDSA-N 0 0 618.650 4.809 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270942 562793568 /nfs/dbraw/zinc/79/35/68/562793568.db2.gz RRGLFNVNVCTGLA-CSLYMUCUSA-N 0 0 531.572 4.988 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270943 562793580 /nfs/dbraw/zinc/79/35/80/562793580.db2.gz RRGLFNVNVCTGLA-SWKXRBFHSA-N 0 0 531.572 4.988 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270944 562793624 /nfs/dbraw/zinc/79/36/24/562793624.db2.gz UBMXEGSCJMWCHI-AWEZNQCLSA-N 0 0 517.545 4.742 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270945 562793628 /nfs/dbraw/zinc/79/36/28/562793628.db2.gz UBMXEGSCJMWCHI-CQSZACIVSA-N 0 0 517.545 4.742 1 0 KJAFRN CCC(CC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270954 562793598 /nfs/dbraw/zinc/79/35/98/562793598.db2.gz JHVBWHZIPFXJAB-ZDUSSCGKSA-N 0 0 505.534 4.598 1 0 KJAFRN CCC(CC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270955 562793610 /nfs/dbraw/zinc/79/36/10/562793610.db2.gz JHVBWHZIPFXJAB-CYBMUJFWSA-N 0 0 505.534 4.598 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270956 562793590 /nfs/dbraw/zinc/79/35/90/562793590.db2.gz WFHQEPFKVBZUFN-AWEZNQCLSA-N 0 0 519.561 4.846 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270957 562793576 /nfs/dbraw/zinc/79/35/76/562793576.db2.gz WFHQEPFKVBZUFN-CQSZACIVSA-N 0 0 519.561 4.846 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCCOc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270960 562793582 /nfs/dbraw/zinc/79/35/82/562793582.db2.gz UQEAWXYIEYOXCI-KRWDZBQOSA-N 0 0 569.577 4.879 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCCCOc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270961 562793586 /nfs/dbraw/zinc/79/35/86/562793586.db2.gz UQEAWXYIEYOXCI-QGZVFWFLSA-N 0 0 569.577 4.879 1 0 KJAFRN CCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270974 562793626 /nfs/dbraw/zinc/79/36/26/562793626.db2.gz VINDVVXFEAXDEX-AWEZNQCLSA-N 0 0 505.534 4.600 1 0 KJAFRN CCCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270975 562793616 /nfs/dbraw/zinc/79/36/16/562793616.db2.gz VINDVVXFEAXDEX-CQSZACIVSA-N 0 0 505.534 4.600 1 0 KJAFRN COc1cc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc(OC)c1 ZINC000096270992 562793634 /nfs/dbraw/zinc/79/36/34/562793634.db2.gz HSHDULFVPYOJAG-HNNXBMFYSA-N 0 0 585.576 4.627 1 0 KJAFRN COc1cc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc(OC)c1 ZINC000096270993 562793659 /nfs/dbraw/zinc/79/36/59/562793659.db2.gz HSHDULFVPYOJAG-OAHLLOKOSA-N 0 0 585.576 4.627 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cc(F)cc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270996 562793667 /nfs/dbraw/zinc/79/36/67/562793667.db2.gz KWTKHLYKNKCDDX-ZDUSSCGKSA-N 0 0 561.504 4.888 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cc(F)cc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270997 562793665 /nfs/dbraw/zinc/79/36/65/562793665.db2.gz KWTKHLYKNKCDDX-CYBMUJFWSA-N 0 0 561.504 4.888 1 0 KJAFRN COc1cccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)c1 ZINC000096270998 562793642 /nfs/dbraw/zinc/79/36/42/562793642.db2.gz ICDWKHYPDOHCOB-HNNXBMFYSA-N 0 0 555.550 4.619 1 0 KJAFRN COc1cccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)c1 ZINC000096270999 562793681 /nfs/dbraw/zinc/79/36/81/562793681.db2.gz ICDWKHYPDOHCOB-OAHLLOKOSA-N 0 0 555.550 4.619 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096271002 562793652 /nfs/dbraw/zinc/79/36/52/562793652.db2.gz OBXGYXWGYWCELN-AWEZNQCLSA-N 0 0 543.514 4.749 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(F)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096271003 562793644 /nfs/dbraw/zinc/79/36/44/562793644.db2.gz OBXGYXWGYWCELN-CQSZACIVSA-N 0 0 543.514 4.749 1 0 KJAFRN COc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000096271004 562793636 /nfs/dbraw/zinc/79/36/36/562793636.db2.gz RNHXJFOYOKPFSA-HNNXBMFYSA-N 0 0 555.550 4.619 1 0 KJAFRN COc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000096271005 562793677 /nfs/dbraw/zinc/79/36/77/562793677.db2.gz RNHXJFOYOKPFSA-OAHLLOKOSA-N 0 0 555.550 4.619 1 0 KJAFRN COc1ccc(Cc2cc(Cc3ccccc3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 ZINC000096271799 562793901 /nfs/dbraw/zinc/79/39/01/562793901.db2.gz DFGQHQWDBGAVQM-UHFFFAOYSA-N 0 0 518.411 4.835 1 0 KJAFRN COc1cccc(Cc2cc(-c3ccc(Cl)cc3)nn(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1 ZINC000096271807 562793850 /nfs/dbraw/zinc/79/38/50/562793850.db2.gz UVHMOGSFNIWYNK-UHFFFAOYSA-N 0 0 503.942 4.531 1 0 KJAFRN COc1ccc(Cc2cc(-c3ccc(OC)cc3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 ZINC000096271811 562793888 /nfs/dbraw/zinc/79/38/88/562793888.db2.gz ZWGMKUNSHWUUJH-UHFFFAOYSA-N 0 0 534.410 4.920 1 0 KJAFRN COc1ccc(Cc2cc(-c3cccs3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 ZINC000096271814 562793882 /nfs/dbraw/zinc/79/38/82/562793882.db2.gz VROSUPCUGJFTRW-UHFFFAOYSA-N 0 0 510.413 4.972 1 0 KJAFRN COc1cccc(Cc2cc(-c3ccccc3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 ZINC000096271817 562793849 /nfs/dbraw/zinc/79/38/49/562793849.db2.gz FQGGSTQSDVYXIC-UHFFFAOYSA-N 0 0 504.384 4.911 1 0 KJAFRN Cc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271835 562793914 /nfs/dbraw/zinc/79/39/14/562793914.db2.gz ZICKHCKGQJNYPU-UHFFFAOYSA-N 0 0 540.664 4.554 1 0 KJAFRN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096272114 562793966 /nfs/dbraw/zinc/79/39/66/562793966.db2.gz LQAKWNUACGLQAS-MRXNPFEDSA-N 0 0 577.547 5.000 1 0 KJAFRN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000096272115 562793985 /nfs/dbraw/zinc/79/39/85/562793985.db2.gz LQAKWNUACGLQAS-INIZCTEOSA-N 0 0 577.547 5.000 1 0 KJAFRN COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccc(Cl)cc3)C2=O)cc(OC)c1 ZINC000096273440 562794499 /nfs/dbraw/zinc/79/44/99/562794499.db2.gz QTCVNLMDEMNROL-KWMCUTETSA-N 0 0 522.985 4.695 1 0 KJAFRN COc1cc(CNC(=O)[C@@]2(Cc3ccccc3Cl)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 ZINC000096273447 562794524 /nfs/dbraw/zinc/79/45/24/562794524.db2.gz KJFSRJWAGKRAOH-KWMCUTETSA-N 0 0 522.985 4.695 1 0 KJAFRN COc1cc(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 ZINC000096273448 562794522 /nfs/dbraw/zinc/79/45/22/562794522.db2.gz YMLSIGHWJXMFKX-KWMCUTETSA-N 0 0 522.985 4.695 1 0 KJAFRN COc1cc(CNC(=O)[C@@]2(Cc3ccc(Cl)cc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1 ZINC000096273449 562794527 /nfs/dbraw/zinc/79/45/27/562794527.db2.gz RYTVVTJXLBBRKI-KWMCUTETSA-N 0 0 522.985 4.695 1 0 KJAFRN Cc1c(C)[n+](Cc2ccccc2)c(SCC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)[O-])n1C ZINC000096282461 562794727 /nfs/dbraw/zinc/79/47/27/562794727.db2.gz ZUBGECRCGGPMSV-ACHIHNKUSA-O 0 0 657.813 4.526 1 0 KJAFRN C[C@H](O)[C@H](NC(=O)c1ccc(N2CCC(CCCC3CCN(C(=O)Cc4ccc(-c5ccccc5)cc4)CC3)CC2)nc1)C(N)=O ZINC000096283465 562794824 /nfs/dbraw/zinc/79/48/24/562794824.db2.gz VWWKCCKKPVCFSR-CYFIQEHSSA-N 0 0 625.814 4.581 1 0 KJAFRN C[C@@H](O)[C@H](NC(=O)c1ccc(N2CCC(CCCC3CCN(C(=O)Cc4ccc(-c5ccccc5)cc4)CC3)CC2)nc1)C(N)=O ZINC000096283466 562794838 /nfs/dbraw/zinc/79/48/38/562794838.db2.gz VWWKCCKKPVCFSR-IJAHGLKVSA-N 0 0 625.814 4.581 1 0 KJAFRN C[C@H](O)[C@@H](NC(=O)c1ccc(N2CCC(CCCC3CCN(C(=O)Cc4ccc(-c5ccccc5)cc4)CC3)CC2)nc1)C(N)=O ZINC000096283467 562794811 /nfs/dbraw/zinc/79/48/11/562794811.db2.gz VWWKCCKKPVCFSR-OSPAZUARSA-N 0 0 625.814 4.581 1 0 KJAFRN C[C@@H](O)[C@@H](NC(=O)c1ccc(N2CCC(CCCC3CCN(C(=O)Cc4ccc(-c5ccccc5)cc4)CC3)CC2)nc1)C(N)=O ZINC000096283468 562794827 /nfs/dbraw/zinc/79/48/27/562794827.db2.gz VWWKCCKKPVCFSR-JXSYCYSGSA-N 0 0 625.814 4.581 1 0 KJAFRN CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@H](C(N)=O)[C@@H](C)O)cn4)CC3)CC2)cc1 ZINC000096283474 562794833 /nfs/dbraw/zinc/79/48/33/562794833.db2.gz QERGZKCOSZINMH-REYAJUCUSA-N 0 0 619.851 4.674 1 0 KJAFRN CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N[C@@H](C(N)=O)[C@@H](C)O)cn4)CC3)CC2)cc1 ZINC000096283476 562794815 /nfs/dbraw/zinc/79/48/15/562794815.db2.gz QERGZKCOSZINMH-RLYJWURVSA-N 0 0 619.851 4.674 1 0 KJAFRN C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)N(CCO)CCO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096283502 562794861 /nfs/dbraw/zinc/79/48/61/562794861.db2.gz SVELKCFXKPXYPF-MIXBDBMTSA-N 0 0 532.766 4.862 1 0 KJAFRN CN1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 ZINC000096284516 562795098 /nfs/dbraw/zinc/79/50/98/562795098.db2.gz MYDIMISRNZORPM-DKLJWOLMSA-N 0 0 569.656 4.759 1 0 KJAFRN CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CCCc2cnc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)C12CCCC2 ZINC000096284517 562795107 /nfs/dbraw/zinc/79/51/07/562795107.db2.gz JGZTXSJPWSEVKN-ACHIHNKUSA-N 0 0 571.672 4.678 1 0 KJAFRN CC(=O)Nc1nc2c(s1)CCN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccccc1)CC2 ZINC000096284555 562795150 /nfs/dbraw/zinc/79/51/50/562795150.db2.gz XBIBNQLAEQMOEI-UHFFFAOYSA-N 0 0 503.603 4.707 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(c2ccccc2)CC1 ZINC000096284598 562795208 /nfs/dbraw/zinc/79/52/08/562795208.db2.gz GIXATDRQTJETRE-NOOLENRPSA-N 0 0 522.690 4.681 1 0 KJAFRN Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2nc(Br)c[nH]2)cc2c[nH]nc21 ZINC000096284755 562795371 /nfs/dbraw/zinc/79/53/71/562795371.db2.gz HILFOKSSVAIZEL-QFIPXVFZSA-N 0 0 577.487 4.862 1 0 KJAFRN Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2nc(Br)c[nH]2)cc2c[nH]nc21 ZINC000096284756 562795401 /nfs/dbraw/zinc/79/54/01/562795401.db2.gz HILFOKSSVAIZEL-JOCHJYFZSA-N 0 0 577.487 4.862 1 0 KJAFRN COc1ccc2nc(Nc3cc(C(F)(F)c4ccc(F)cc4)nc(N4CCC[C@H]4C(N)=O)n3)sc2c1 ZINC000096285825 562795922 /nfs/dbraw/zinc/79/59/22/562795922.db2.gz KBSZCUYNEUTCRR-KRWDZBQOSA-N 0 0 514.533 4.572 1 0 KJAFRN C[C@H](Sc1cc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285951 562795946 /nfs/dbraw/zinc/79/59/46/562795946.db2.gz SGAYFKXADOBXKG-ZDUSSCGKSA-N 0 0 524.449 4.982 1 0 KJAFRN C[C@@H](Sc1cc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285952 562795937 /nfs/dbraw/zinc/79/59/37/562795937.db2.gz SGAYFKXADOBXKG-CYBMUJFWSA-N 0 0 524.449 4.982 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccco1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096286058 562796005 /nfs/dbraw/zinc/79/60/05/562796005.db2.gz JIKOPVIOAAKJBY-ZDUSSCGKSA-N 0 0 531.553 4.916 1 0 KJAFRN 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COc1cc(-n2cc(CN(Cc3cn(-c4cc(OC)c(OC)c(OC)c4)nn3)c3nc4ccccc4s3)nn2)cc(OC)c1OC ZINC000096906746 562798837 /nfs/dbraw/zinc/79/88/37/562798837.db2.gz KYHSKWHTZVKMJI-UHFFFAOYSA-N 0 0 644.714 4.716 1 0 KJAFRN Fc1ccccc1-n1cc(CN(Cc2cn(-c3ccccc3F)nn2)c2nc3ccccc3s2)nn1 ZINC000096906755 562798852 /nfs/dbraw/zinc/79/88/52/562798852.db2.gz XTQTWFBVMZELNL-UHFFFAOYSA-N 0 0 500.538 4.943 1 0 KJAFRN COc1cccc(-n2cc(CN(Cc3cn(-c4cccc(OC)c4)nn3)c3nc4ccccc4s3)nn2)c1 ZINC000096906757 562798879 /nfs/dbraw/zinc/79/88/79/562798879.db2.gz RBZGGCWNRJQUBH-UHFFFAOYSA-N 0 0 524.610 4.682 1 0 KJAFRN Fc1cccc(-n2cc(CN(Cc3cn(-c4cccc(F)c4)nn3)c3nc4ccccc4s3)nn2)c1 ZINC000096906760 562798861 /nfs/dbraw/zinc/79/88/61/562798861.db2.gz XGRJDGPQPOOWEN-UHFFFAOYSA-N 0 0 500.538 4.943 1 0 KJAFRN C[C@H](CO)COc1ccc([C@H]2NC(=O)N([C@H](C(=O)Nc3ccc(I)cc3F)[C@@H](C)c3ccccc3)C2=O)cc1 ZINC000096906866 562798929 /nfs/dbraw/zinc/79/89/29/562798929.db2.gz NWDHMJQTZRTMSC-LSCRHLIXSA-N 0 0 645.469 4.841 1 0 KJAFRN COc1ccc(C(=O)Nc2ccc(N(C)S(=O)(=O)C(F)(F)F)c(OCc3cc(OC)ccc3OC)c2)cc1 ZINC000096907074 562799007 /nfs/dbraw/zinc/79/90/07/562799007.db2.gz FESDLZOIINKGTD-UHFFFAOYSA-N 0 0 554.543 4.830 1 0 KJAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2N(C)S(=O)(=O)C(F)(F)F)c1 ZINC000096907075 562799028 /nfs/dbraw/zinc/79/90/28/562799028.db2.gz RBVJFMNKXVZQHY-UHFFFAOYSA-N 0 0 584.569 4.838 1 0 KJAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N(C)S(=O)(=O)C(F)(F)F)c1 ZINC000096907078 562798999 /nfs/dbraw/zinc/79/89/99/562798999.db2.gz LMORZFDJHHXHST-UHFFFAOYSA-N 0 0 568.526 4.550 1 0 KJAFRN CN(c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000096907090 562799027 /nfs/dbraw/zinc/79/90/27/562799027.db2.gz UQLGIRVAEQANFL-UHFFFAOYSA-N 0 0 523.394 4.949 1 0 KJAFRN CCCCCCOc1cc(NC(=O)c2ccc(I)cc2)ccc1N(C)S(C)(=O)=O ZINC000096907094 562799022 /nfs/dbraw/zinc/79/90/22/562799022.db2.gz DFQLLSMYTAXPIE-UHFFFAOYSA-N 0 0 530.428 4.898 1 0 KJAFRN Cc1ccc(C(F)(F)F)cc1COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1N(C)S(C)(=O)=O ZINC000096907102 562799006 /nfs/dbraw/zinc/79/90/06/562799006.db2.gz YFEYJDIVDFNTBW-UHFFFAOYSA-N 0 0 536.528 4.970 1 0 KJAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(Br)cc3)ccc2N(C)S(C)(=O)=O)c1 ZINC000096907103 562799012 /nfs/dbraw/zinc/79/90/12/562799012.db2.gz JYOXRGSLSTVCNK-UHFFFAOYSA-N 0 0 549.443 4.693 1 0 KJAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(I)cc3)ccc2N(C)S(C)(=O)=O)c1 ZINC000096907106 562799004 /nfs/dbraw/zinc/79/90/04/562799004.db2.gz RQUNBXZHNSOAQV-UHFFFAOYSA-N 0 0 596.443 4.536 1 0 KJAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(Br)cc3)ccc2NS(C)(=O)=O)c1 ZINC000096907109 562799030 /nfs/dbraw/zinc/79/90/30/562799030.db2.gz OVSPUTNOWQJAED-UHFFFAOYSA-N 0 0 535.416 4.669 1 0 KJAFRN COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(I)cc3)ccc2NS(C)(=O)=O)c1 ZINC000096907112 562799058 /nfs/dbraw/zinc/79/90/58/562799058.db2.gz UZYGIQDDFAEAQN-UHFFFAOYSA-N 0 0 582.416 4.511 1 0 KJAFRN COc1cc(NC(=O)CCSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc(OC)c1OC ZINC000096907544 562799124 /nfs/dbraw/zinc/79/91/24/562799124.db2.gz CKXUWBLWNRGBTQ-UHFFFAOYSA-N 0 0 519.623 4.786 1 0 KJAFRN O=C(CSc1nnc(NC(=O)c2c(Cl)cccc2Cl)s1)Nc1ccc(Br)cn1 ZINC000096908541 562799378 /nfs/dbraw/zinc/79/93/78/562799378.db2.gz YAIHXDWVCKOFHF-UHFFFAOYSA-N 0 0 519.233 4.986 1 0 KJAFRN COC(=O)[C@@H](Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(F)cc1 ZINC000096908623 562799380 /nfs/dbraw/zinc/79/93/80/562799380.db2.gz ZTZZGLBFQNNTSK-JYSHFMIGSA-N 0 0 560.600 4.599 1 0 KJAFRN COC(=O)[C@H](Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(F)cc1 ZINC000096908624 562799401 /nfs/dbraw/zinc/79/94/01/562799401.db2.gz ZTZZGLBFQNNTSK-WUZNFDRSSA-N 0 0 560.600 4.599 1 0 KJAFRN CC1(C)O[C@H]2[C@@H](O1)[C@H]1C(=C[C@@H]2OCc2ccccc2)c2cc3c(cc2C(=O)N1Cc1ccccc1)OCO3 ZINC000096909475 562799609 /nfs/dbraw/zinc/79/96/09/562799609.db2.gz VRBBHRWKHXAHBQ-AUAHOFGGSA-N 0 0 511.574 4.942 1 0 KJAFRN O=C(c1nc(OC(F)(F)F)ccc1-c1ncccn1)N1CC2(CC2)C[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000096909616 562799651 /nfs/dbraw/zinc/79/96/51/562799651.db2.gz YMRPGUATWAUZMC-HNNXBMFYSA-N 0 0 538.452 4.958 1 0 KJAFRN CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(Nc4c(C)cccc4C)ccc3=O)c2)CC1 ZINC000096909765 562799778 /nfs/dbraw/zinc/79/97/78/562799778.db2.gz NZPUXKIMKCGEGI-UHFFFAOYSA-N 0 0 530.673 4.764 1 0 KJAFRN CCc1ccccc1Nc1ccc(=O)n(Cc2cccc(NC(=O)N3CCC(C(=O)N(CC)CC)CC3)c2)n1 ZINC000096909766 562799764 /nfs/dbraw/zinc/79/97/64/562799764.db2.gz KFWUTSCSEITILU-UHFFFAOYSA-N 0 0 530.673 4.710 1 0 KJAFRN CCN(C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(Nc4ccccc4C)ccc3=O)c2)CC1)C(C)C ZINC000096909771 562799787 /nfs/dbraw/zinc/79/97/87/562799787.db2.gz TTWFRFONBLFDLL-UHFFFAOYSA-N 0 0 530.673 4.844 1 0 KJAFRN CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(-c4cccc(Br)c4)ccc3=O)c2)CC1 ZINC000096909777 562799773 /nfs/dbraw/zinc/79/97/73/562799773.db2.gz MONZTIFYFBXRDE-UHFFFAOYSA-N 0 0 566.500 4.833 1 0 KJAFRN CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(-c4cccc(Cl)c4)ccc3=O)c2)CC1 ZINC000096909778 562799758 /nfs/dbraw/zinc/79/97/58/562799758.db2.gz KQIBFHNJBHCPHB-UHFFFAOYSA-N 0 0 522.049 4.724 1 0 KJAFRN COc1cc([C@H](Nc2ccc([C@@]3(C)Nc4ccccc4C(=O)N3)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096909898 562799813 /nfs/dbraw/zinc/79/98/13/562799813.db2.gz UYMGBMBUIXVPRU-QCDSWUKFSA-N 0 0 557.655 4.684 1 0 KJAFRN COc1cc([C@H](Nc2ccc([C@]3(C)Nc4ccccc4C(=O)N3)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096909899 562799803 /nfs/dbraw/zinc/79/98/03/562799803.db2.gz UYMGBMBUIXVPRU-SETSBSEESA-N 0 0 557.655 4.684 1 0 KJAFRN COc1cc([C@@H](Nc2ccc([C@@]3(C)Nc4ccccc4C(=O)N3)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096909900 562799810 /nfs/dbraw/zinc/79/98/10/562799810.db2.gz UYMGBMBUIXVPRU-RNAHPLFWSA-N 0 0 557.655 4.684 1 0 KJAFRN COc1cc([C@@H](Nc2ccc([C@]3(C)Nc4ccccc4C(=O)N3)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC ZINC000096909901 562799802 /nfs/dbraw/zinc/79/98/02/562799802.db2.gz UYMGBMBUIXVPRU-FYBSXPHGSA-N 0 0 557.655 4.684 1 0 KJAFRN CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cc(O)ccc4Br)O[C@@]1(C3)O2 ZINC000096910112 562799841 /nfs/dbraw/zinc/79/98/41/562799841.db2.gz XAVHENBENCIKCO-DAACTFMNSA-N 0 0 569.489 4.558 1 0 KJAFRN COC(=O)Nc1ccc2c(CSc3nnc(CSc4nc(C)cc(C)n4)s3)cc(=O)oc2c1 ZINC000096910560 562800036 /nfs/dbraw/zinc/80/00/36/562800036.db2.gz QINQWBLYPWXBJN-UHFFFAOYSA-N 0 0 501.615 4.814 1 0 KJAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](OC(=O)N(CCO)CCO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096910765 562800056 /nfs/dbraw/zinc/80/00/56/562800056.db2.gz DVRKYOAYLSFTKT-NRNHPQSJSA-N 0 0 551.809 4.985 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(NC(=O)NCc5ccco5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000096910899 562800121 /nfs/dbraw/zinc/80/01/21/562800121.db2.gz RKSXZNFMJCNWMT-QIXIFPRPSA-N 0 0 655.660 4.762 1 0 KJAFRN COc1ccccc1CN(Cn1sc2nc(C)cc(C)c2c1=O)Cn1sc2nc(C)cc(C)c2c1=O ZINC000096910906 562800128 /nfs/dbraw/zinc/80/01/28/562800128.db2.gz CDNSDMJKJLJRPI-UHFFFAOYSA-N 0 0 521.668 4.589 1 0 KJAFRN COc1ccc(CN(Cn2sc3nc(C)cc(C)c3c2=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1 ZINC000096910907 562800139 /nfs/dbraw/zinc/80/01/39/562800139.db2.gz HPOGRASGWBRYLN-UHFFFAOYSA-N 0 0 521.668 4.589 1 0 KJAFRN COc1ccc(CN(Cn2sc3nc(C)cc(C)c3c2=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1OC ZINC000096910908 562800122 /nfs/dbraw/zinc/80/01/22/562800122.db2.gz HGXCQVBAIKGGAL-UHFFFAOYSA-N 0 0 551.694 4.598 1 0 KJAFRN CO[C@H]1c2cc3c(c(c2O)NC(=O)/C(C)=C/C=C\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@@H](OC)[C@@H](OC)C[C@@H]1C)SCC(=O)N3 ZINC000096911578 562800217 /nfs/dbraw/zinc/80/02/17/562800217.db2.gz GYBQYXANPDPLKQ-DJQZFUDLSA-N 0 0 647.791 4.696 1 0 KJAFRN CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(-c2ccc(F)cc2)nn1)OCOC(=O)C(C)(C)C ZINC000096913236 562800225 /nfs/dbraw/zinc/80/02/25/562800225.db2.gz XRZOYMHJWDBTIG-BQYQJAHWSA-N 0 0 525.514 4.960 1 0 KJAFRN COc1cc(OC)cc(-c2cn(C/C=C/CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)nn2)c1 ZINC000096913238 562800234 /nfs/dbraw/zinc/80/02/34/562800234.db2.gz XNSVLPJDAOAAGJ-MDZDMXLPSA-N 0 0 567.576 4.838 1 0 KJAFRN CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(-c2cccs2)nn1)OCOC(=O)C(C)(C)C ZINC000096913242 562800242 /nfs/dbraw/zinc/80/02/42/562800242.db2.gz XKFWFKXRXQQASB-BQYQJAHWSA-N 0 0 513.553 4.883 1 0 KJAFRN CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(-c2ccccc2)nn1)OCOC(=O)C(C)(C)C ZINC000096913262 562800235 /nfs/dbraw/zinc/80/02/35/562800235.db2.gz KXPRWMJDKGVYJT-ZHACJKMWSA-N 0 0 507.524 4.821 1 0 KJAFRN CC(C)c1ccc(OCC(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N5CCC[C@@H]5C(N)=O)cn4)CC3)CC2)cc1 ZINC000096913744 562800402 /nfs/dbraw/zinc/80/04/02/562800402.db2.gz REKFMPCCSLJIAQ-WJOKGBTCSA-N 0 0 603.808 4.999 1 0 KJAFRN CC(C)c1ccc(OCC(=O)N2CCC(CCCC3CCN(c4ccc(C(=O)N5CCC[C@H]5C(N)=O)cn4)CC3)CC2)cc1 ZINC000096913745 562800398 /nfs/dbraw/zinc/80/03/98/562800398.db2.gz REKFMPCCSLJIAQ-HKBQPEDESA-N 0 0 603.808 4.999 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OCC(F)(F)F)c(OC)cc3CCN2CC(=O)NCc2ccccn2)cc1OC ZINC000096913873 562800493 /nfs/dbraw/zinc/80/04/93/562800493.db2.gz VDUXTUPEJPTJAO-HSZRJFAPSA-N 0 0 559.585 4.507 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OCC(F)(F)F)c(OC)cc3CCN2CC(=O)NCc2ccccn2)cc1OC ZINC000096913874 562800490 /nfs/dbraw/zinc/80/04/90/562800490.db2.gz VDUXTUPEJPTJAO-QHCPKHFHSA-N 0 0 559.585 4.507 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OCC(F)(F)F)c(OC)cc3CCN2CC(=O)NCc2cccnc2)cc1OC ZINC000096913875 562800466 /nfs/dbraw/zinc/80/04/66/562800466.db2.gz KFNSZWWIIUHELF-HSZRJFAPSA-N 0 0 559.585 4.507 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OCC(F)(F)F)c(OC)cc3CCN2CC(=O)NCc2cccnc2)cc1OC ZINC000096913876 562800431 /nfs/dbraw/zinc/80/04/31/562800431.db2.gz KFNSZWWIIUHELF-QHCPKHFHSA-N 0 0 559.585 4.507 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)Nc2cc(C)nc3ccccc32)cc1OC ZINC000096913897 562800456 /nfs/dbraw/zinc/80/04/56/562800456.db2.gz YSLPZCVSMKHLNJ-MHZLTWQESA-N 0 0 541.648 4.780 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)Nc2cc(C)nc3ccccc32)cc1OC ZINC000096913898 562800487 /nfs/dbraw/zinc/80/04/87/562800487.db2.gz YSLPZCVSMKHLNJ-HHHXNRCGSA-N 0 0 541.648 4.780 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000096913911 562800508 /nfs/dbraw/zinc/80/05/08/562800508.db2.gz VMEXPFKYLWUUNN-XMMPIXPASA-N 0 0 525.045 4.833 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000096913912 562800536 /nfs/dbraw/zinc/80/05/36/562800536.db2.gz VMEXPFKYLWUUNN-DEOSSOPVSA-N 0 0 525.045 4.833 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OS(=O)(=O)c4ccccc4)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913915 562800592 /nfs/dbraw/zinc/80/05/92/562800592.db2.gz XBBCRXAWUZYFGY-GDLZYMKVSA-N 0 0 616.736 4.938 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OS(=O)(=O)c4ccccc4)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913916 562800586 /nfs/dbraw/zinc/80/05/86/562800586.db2.gz XBBCRXAWUZYFGY-LJAQVGFWSA-N 0 0 616.736 4.938 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)NCCCc2ccccc2)cc1OC ZINC000096913920 562800548 /nfs/dbraw/zinc/80/05/48/562800548.db2.gz UYZBUZLBLFNINM-AREMUKBSSA-N 0 0 518.654 4.612 1 0 KJAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)NCCCc2ccccc2)cc1OC ZINC000096913921 562800576 /nfs/dbraw/zinc/80/05/76/562800576.db2.gz UYZBUZLBLFNINM-SANMLTNESA-N 0 0 518.654 4.612 1 0 KJAFRN CCCC(=O)Oc1cc2c(cc1OC)CCN(CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913950 562800609 /nfs/dbraw/zinc/80/06/09/562800609.db2.gz QCMXHHPHWOSYIZ-AREMUKBSSA-N 0 0 546.664 4.876 1 0 KJAFRN CCCC(=O)Oc1cc2c(cc1OC)CCN(CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913951 562800602 /nfs/dbraw/zinc/80/06/02/562800602.db2.gz QCMXHHPHWOSYIZ-SANMLTNESA-N 0 0 546.664 4.876 1 0 KJAFRN CCOc1cc2c(cc1OC)CCN(CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913966 562800653 /nfs/dbraw/zinc/80/06/53/562800653.db2.gz FSBQTAPUGFUXPA-RUZDIDTESA-N 0 0 504.627 4.569 1 0 KJAFRN CCOc1cc2c(cc1OC)CCN(CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913967 562800612 /nfs/dbraw/zinc/80/06/12/562800612.db2.gz FSBQTAPUGFUXPA-VWLOTQADSA-N 0 0 504.627 4.569 1 0 KJAFRN CCCOc1cc2c(cc1OC)CCN(CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913968 562800676 /nfs/dbraw/zinc/80/06/76/562800676.db2.gz BDOGXRJYDQNFQH-AREMUKBSSA-N 0 0 518.654 4.960 1 0 KJAFRN CCCOc1cc2c(cc1OC)CCN(CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000096913969 562800644 /nfs/dbraw/zinc/80/06/44/562800644.db2.gz BDOGXRJYDQNFQH-SANMLTNESA-N 0 0 518.654 4.960 1 0 KJAFRN CC(C)(C)OC(=O)NCCCC[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000096913991 562800720 /nfs/dbraw/zinc/80/07/20/562800720.db2.gz ONEXUZVHHGEPDU-SEWCJXAVSA-N 0 0 599.750 4.955 1 0 KJAFRN CCOC(=O)c1csc(NC(=O)c2cc(NC(=O)c3csc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)n3)cn2C)n1 ZINC000096914583 562800823 /nfs/dbraw/zinc/80/08/23/562800823.db2.gz LYMBDIIICMHHGF-IBGZPJMESA-N 0 0 734.817 4.746 1 0 KJAFRN CCOC(=O)c1csc(NC(=O)c2csc(NC(=O)c3csc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)n3)n2)n1 ZINC000096914585 562800811 /nfs/dbraw/zinc/80/08/11/562800811.db2.gz RPDBTHVGDXJMOC-INIZCTEOSA-N 0 0 738.830 4.864 1 0 KJAFRN CCOC(=O)c1csc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cn2C)n1 ZINC000096914588 562800810 /nfs/dbraw/zinc/80/08/10/562800810.db2.gz QJCVZPLLRYFLBD-QFIPXVFZSA-N 0 0 730.804 4.628 1 0 KJAFRN CCOC(=O)c1csc(NC(=O)c2csc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)n2)n1 ZINC000096914591 562800822 /nfs/dbraw/zinc/80/08/22/562800822.db2.gz SNQLZHCSOOOQPE-IBGZPJMESA-N 0 0 734.817 4.746 1 0 KJAFRN Cc1c2c3c(cc(O)c1=O)C[C@@](O)(c1cc(O)c(=O)c(C)c([C@H]4[C@@H](C(C)C)CC[C@@]4(C)C(=O)C[NH2+]CCS(=O)(=O)[O-])c1)O[C@H]3[C@H](O)[C@]1(C)CC[C@H](C(C)C)[C@H]21 ZINC000096914623 562800839 /nfs/dbraw/zinc/80/08/39/562800839.db2.gz ICNAROAALVLDJI-AWDNKCRRSA-N 0 0 783.981 4.627 1 0 KJAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C)cc3)nc2c(=O)n(CCC)c1=O ZINC000096914716 562800857 /nfs/dbraw/zinc/80/08/57/562800857.db2.gz MCWZNVZBGFAJDJ-UHFFFAOYSA-N 0 0 802.999 4.523 1 0 KJAFRN CC(=O)O[C@@H](C(=O)OCCNc1ccnc2cc(Cl)ccc21)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000096914885 562800888 /nfs/dbraw/zinc/80/08/88/562800888.db2.gz XOWMYCMBYMZUCH-RRPNLBNLSA-N 0 0 531.996 4.946 1 0 KJAFRN O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OCCCNc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000096914886 562800907 /nfs/dbraw/zinc/80/09/07/562800907.db2.gz FLNRLXKRYFJZJQ-IZZNHLLZSA-N 0 0 503.986 4.766 1 0 KJAFRN CC[C@H](OC)[C@@H](C)[C@H]1C[C@@H]1[C@@H](O)[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C ZINC000096915020 562800917 /nfs/dbraw/zinc/80/09/17/562800917.db2.gz YFZBYVJCPIOXNW-YFCVVNEFSA-N 0 0 564.760 4.515 1 0 KJAFRN CC[C@H](OC)[C@@H](C)[C@H]1C[C@@H]1[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C ZINC000096915021 562800929 /nfs/dbraw/zinc/80/09/29/562800929.db2.gz YFZBYVJCPIOXNW-QDSVKIJHSA-N 0 0 564.760 4.515 1 0 KJAFRN COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccccc3F)nn2)c1 ZINC000096915024 562800923 /nfs/dbraw/zinc/80/09/23/562800923.db2.gz BAWKNONFMBTHGX-UHFFFAOYSA-N 0 0 524.552 4.743 1 0 KJAFRN COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3cccc(F)c3)nn2)c1 ZINC000096915025 562800921 /nfs/dbraw/zinc/80/09/21/562800921.db2.gz BLVLMJYIPPYOQO-UHFFFAOYSA-N 0 0 524.552 4.743 1 0 KJAFRN COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccc(F)cc3)nn2)c1 ZINC000096915026 562800938 /nfs/dbraw/zinc/80/09/38/562800938.db2.gz GJXLIHNXCRSKKU-UHFFFAOYSA-N 0 0 524.552 4.743 1 0 KJAFRN COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccccc3C)nn2)c1 ZINC000096915027 562800943 /nfs/dbraw/zinc/80/09/43/562800943.db2.gz YAKYYJAWOFCEQU-UHFFFAOYSA-N 0 0 520.589 4.913 1 0 KJAFRN COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3cccc(C)c3)nn2)c1 ZINC000096915028 562800942 /nfs/dbraw/zinc/80/09/42/562800942.db2.gz WSKYRBYRYQIVFM-UHFFFAOYSA-N 0 0 520.589 4.913 1 0 KJAFRN COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccc(C)cc3)nn2)c1 ZINC000096915029 562800925 /nfs/dbraw/zinc/80/09/25/562800925.db2.gz VAPVKTCCDGIGJA-UHFFFAOYSA-N 0 0 520.589 4.913 1 0 KJAFRN COc1ccc(Cn2cc(COc3cc(OC)ccc3C(=O)c3ccc(=O)n(-c4ccccc4C)c3)nn2)cc1 ZINC000096915030 562800947 /nfs/dbraw/zinc/80/09/47/562800947.db2.gz HYNCJBWKYRSFLJ-UHFFFAOYSA-N 0 0 536.588 4.613 1 0 KJAFRN COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccccc3)nn2)c1 ZINC000096915046 562800946 /nfs/dbraw/zinc/80/09/46/562800946.db2.gz LWMYVKDLEYYIKA-UHFFFAOYSA-N 0 0 506.562 4.604 1 0 KJAFRN COc1ccc([C@@H](NCCCNc2ccnc3cc(Cl)ccc32)c2nnnn2C(C)(C)C)cc1OC ZINC000096915638 562800988 /nfs/dbraw/zinc/80/09/88/562800988.db2.gz HTERIXKVQSVTRV-XMMPIXPASA-N 0 0 510.042 4.828 1 0 KJAFRN COc1ccc([C@H](NCCCNc2ccnc3cc(Cl)ccc32)c2nnnn2C(C)(C)C)cc1OC ZINC000096915639 562800999 /nfs/dbraw/zinc/80/09/99/562800999.db2.gz HTERIXKVQSVTRV-DEOSSOPVSA-N 0 0 510.042 4.828 1 0 KJAFRN NS(=O)(=O)c1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c(Br)c1 ZINC000096916696 562801277 /nfs/dbraw/zinc/80/12/77/562801277.db2.gz CZIZMPDUHHDWQS-UHFFFAOYSA-N 0 0 518.987 4.511 1 0 KJAFRN COc1cc(N2CCC(O)CC2)ccc1Nc1ncc(Cl)c(Oc2ccc(COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)n1 ZINC000096917088 562801251 /nfs/dbraw/zinc/80/12/51/562801251.db2.gz HLGCLHNIBXMZNE-UHFFFAOYSA-N 0 0 681.127 4.669 1 0 KJAFRN C=CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Oc4ccc(COc5no[n+]([O-])c5S(=O)(=O)c5ccccc5)cc4)n3)c(OC)c2)CC1 ZINC000096917090 562801283 /nfs/dbraw/zinc/80/12/83/562801283.db2.gz LXPBUCYNEFBCEI-UHFFFAOYSA-N 0 0 720.164 4.542 1 0 KJAFRN COc1cc(N2CCC(O)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c2)n1 ZINC000096917095 562801302 /nfs/dbraw/zinc/80/13/02/562801302.db2.gz CLSGHFRTPZHAFA-UHFFFAOYSA-N 0 0 681.127 4.669 1 0 KJAFRN C=CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(Oc4cccc(COc5no[n+]([O-])c5S(=O)(=O)c5ccccc5)c4)n3)c(OC)c2)CC1 ZINC000096917097 562801293 /nfs/dbraw/zinc/80/12/93/562801293.db2.gz LQKXMXSDKMQWTR-UHFFFAOYSA-N 0 0 720.164 4.542 1 0 KJAFRN CC(=O)N1CCN(CN2C(=O)S[C@@H](N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000096921569 562801452 /nfs/dbraw/zinc/80/14/52/562801452.db2.gz ZRJSAMQFKVACIJ-XTEPFMGCSA-N 0 0 562.095 4.787 1 0 KJAFRN CC(=O)N1CCN(CN2C(=O)S[C@H](N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000096921570 562801453 /nfs/dbraw/zinc/80/14/53/562801453.db2.gz ZRJSAMQFKVACIJ-XCZPVHLTSA-N 0 0 562.095 4.787 1 0 KJAFRN COc1cc(/C=C/c2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc(NCCCO)n2)cc(OC)c1OC ZINC000096921625 562801479 /nfs/dbraw/zinc/80/14/79/562801479.db2.gz IIDUSTFNHXKJDM-GFULKKFKSA-N 0 0 537.613 4.663 1 0 KJAFRN COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(=O)NC(C)C)CC1 ZINC000096921643 562801485 /nfs/dbraw/zinc/80/14/85/562801485.db2.gz UPBUXSLPEWKLAQ-UHFFFAOYSA-N 0 0 501.990 4.542 1 0 KJAFRN Cn1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C2C[NH2+]C2)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000096921727 562801524 /nfs/dbraw/zinc/80/15/24/562801524.db2.gz ZJDMSDVQBRNPAB-UHFFFAOYSA-N 0 0 559.599 4.524 1 0 KJAFRN Cn1cc(-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000096921729 562801526 /nfs/dbraw/zinc/80/15/26/562801526.db2.gz OIKCTIPDHMRZCY-UHFFFAOYSA-N 0 0 519.574 4.893 1 0 KJAFRN COc1ccc(C(=O)c2[nH]c3nc[nH]c(=O)c3c2-c2cc(Br)cc(Br)c2)cc1 ZINC000096921746 562801515 /nfs/dbraw/zinc/80/15/15/562801515.db2.gz NWNXZMQLUMKNHI-UHFFFAOYSA-N 0 0 503.150 4.683 1 0 KJAFRN O=c1oc2cc(OCCN3CCOCC3)ccc2c(-c2ccc(OCCN3CCOCC3)cc2)c1-c1ccccc1 ZINC000096922046 562801660 /nfs/dbraw/zinc/80/16/60/562801660.db2.gz BUBZTLNPGATOHL-UHFFFAOYSA-N 0 0 556.659 4.549 1 0 KJAFRN COc1ccc(C(=O)Oc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1 ZINC000096922278 562801762 /nfs/dbraw/zinc/80/17/62/562801762.db2.gz ILEDZVOZYIZOSJ-JTHBVZDNSA-N 0 0 506.551 4.515 1 0 KJAFRN COc1ccc(COc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1OC ZINC000096922284 562801784 /nfs/dbraw/zinc/80/17/84/562801784.db2.gz JPXKWHDJHXQWAP-XZOQPEGZSA-N 0 0 522.594 4.883 1 0 KJAFRN COc1ccc(CCOc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1OC ZINC000096922285 562801778 /nfs/dbraw/zinc/80/17/78/562801778.db2.gz KWYMSMQGGJETFH-BJKOFHAPSA-N 0 0 536.621 4.926 1 0 KJAFRN COc1cccc(CCOc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)c1 ZINC000096922288 562801770 /nfs/dbraw/zinc/80/17/70/562801770.db2.gz CVDSEIZXZZWWLZ-UKILVPOCSA-N 0 0 506.595 4.917 1 0 KJAFRN COc1ccc(CCOc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1 ZINC000096922289 562801782 /nfs/dbraw/zinc/80/17/82/562801782.db2.gz UKOYXONQUSHDNQ-UKILVPOCSA-N 0 0 506.595 4.917 1 0 KJAFRN COc1ccccc1CCOc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000096922290 562801779 /nfs/dbraw/zinc/80/17/79/562801779.db2.gz PJVLWLNDBTVFBE-BJKOFHAPSA-N 0 0 506.595 4.917 1 0 KJAFRN NC(=O)c1ccc(NC(=S)NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C(=O)c2ccccc2)cc1 ZINC000096922485 562801865 /nfs/dbraw/zinc/80/18/65/562801865.db2.gz KYZDNBBZHXRFEY-UHFFFAOYSA-N 0 0 545.624 4.996 1 0 KJAFRN O=C(NC(=S)Nc1ncccn1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000096922487 562801855 /nfs/dbraw/zinc/80/18/55/562801855.db2.gz WLQWUSPFBZIGDX-UHFFFAOYSA-N 0 0 504.575 4.687 1 0 KJAFRN COc1cc(CCOc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc(OC)c1 ZINC000096922503 562801839 /nfs/dbraw/zinc/80/18/39/562801839.db2.gz VFAABAJLOVNHIA-JYFHCDHNSA-N 0 0 536.621 4.926 1 0 KJAFRN COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1OC ZINC000096922504 562801867 /nfs/dbraw/zinc/80/18/67/562801867.db2.gz JFFHPUJFKHGBFM-BJKOFHAPSA-N 0 0 566.647 4.934 1 0 KJAFRN COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3ccc4c(c3)OCO4)c(OC)c2)cc1OC ZINC000096922511 562801864 /nfs/dbraw/zinc/80/18/64/562801864.db2.gz FFEZQTOLVGVLAG-XZOQPEGZSA-N 0 0 520.578 4.637 1 0 KJAFRN COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1OC ZINC000096922521 562801870 /nfs/dbraw/zinc/80/18/70/562801870.db2.gz XNNCJOGILJNRNF-GOTSBHOMSA-N 0 0 522.594 4.997 1 0 KJAFRN COc1ccc(CC(=O)Oc2ccc(C[C@H]3COC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1OC ZINC000096922522 562801853 /nfs/dbraw/zinc/80/18/53/562801853.db2.gz WDCQZZVKQLPWCP-ZEQRLZLVSA-N 0 0 536.621 4.926 1 0 KJAFRN COc1cccc(C(=O)Oc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)c1 ZINC000096922528 562801871 /nfs/dbraw/zinc/80/18/71/562801871.db2.gz KRDTWYKJGSIKOI-JTHBVZDNSA-N 0 0 506.551 4.515 1 0 KJAFRN COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OC)c2)cc1OC ZINC000096922529 562801851 /nfs/dbraw/zinc/80/18/51/562801851.db2.gz DZSRWUUVWCZKBR-FCHUYYIVSA-N 0 0 536.577 4.523 1 0 KJAFRN C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@H](C)[C@]1(C)O ZINC000096922557 562801859 /nfs/dbraw/zinc/80/18/59/562801859.db2.gz RHABJANPSGWEFC-MRFZJNLZSA-N 0 0 530.614 4.899 1 0 KJAFRN COC(=O)CCCn1c2ccccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c21 ZINC000096922823 562801873 /nfs/dbraw/zinc/80/18/73/562801873.db2.gz QTNNWXWOTHEGPS-UHFFFAOYSA-N 0 0 532.666 4.835 1 0 KJAFRN CCN(CCN(CC)C(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1)C(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC000096922933 562801932 /nfs/dbraw/zinc/80/19/32/562801932.db2.gz WMOPZIBLFAFMQU-ACHIHNKUSA-N 0 0 798.942 4.533 1 0 KJAFRN COc1ccccc1NC(=O)N[C@@H](CCC(=O)N1CCN(c2nsc3ccccc32)CC1)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000096922972 562801954 /nfs/dbraw/zinc/80/19/54/562801954.db2.gz CVKZUCUKTWWSSS-MHZLTWQESA-N 0 0 698.875 4.883 1 0 KJAFRN COc1ccccc1NC(=O)N[C@H](CCC(=O)N1CCN(c2nsc3ccccc32)CC1)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000096922973 562801943 /nfs/dbraw/zinc/80/19/43/562801943.db2.gz CVKZUCUKTWWSSS-HHHXNRCGSA-N 0 0 698.875 4.883 1 0 KJAFRN COc1cccc(NC(=O)N[C@@H](CCC(=O)N2CCN(c3nsc4ccccc43)CC2)C(=O)N2CCN(c3nsc4ccccc43)CC2)c1 ZINC000096922976 562801942 /nfs/dbraw/zinc/80/19/42/562801942.db2.gz OKXFMEZLCMAOPB-NDEPHWFRSA-N 0 0 698.875 4.883 1 0 KJAFRN COc1cccc(NC(=O)N[C@H](CCC(=O)N2CCN(c3nsc4ccccc43)CC2)C(=O)N2CCN(c3nsc4ccccc43)CC2)c1 ZINC000096922977 562801953 /nfs/dbraw/zinc/80/19/53/562801953.db2.gz OKXFMEZLCMAOPB-MUUNZHRXSA-N 0 0 698.875 4.883 1 0 KJAFRN COc1ccc(NC(=O)N[C@@H](CCC(=O)N2CCN(c3nsc4ccccc43)CC2)C(=O)N2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000096922980 562801945 /nfs/dbraw/zinc/80/19/45/562801945.db2.gz HWBVOGUMDZROOA-NDEPHWFRSA-N 0 0 698.875 4.883 1 0 KJAFRN COc1ccc(NC(=O)N[C@H](CCC(=O)N2CCN(c3nsc4ccccc43)CC2)C(=O)N2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000096922981 562801963 /nfs/dbraw/zinc/80/19/63/562801963.db2.gz HWBVOGUMDZROOA-MUUNZHRXSA-N 0 0 698.875 4.883 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(c2nsc3ccccc32)CC1)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000096922988 562801955 /nfs/dbraw/zinc/80/19/55/562801955.db2.gz ZRJXFKJEVUDROQ-DEOSSOPVSA-N 0 0 649.843 4.577 1 0 KJAFRN CC(C)(C)OC(=O)N[C@H](CCC(=O)N1CCN(c2nsc3ccccc32)CC1)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000096922989 562801960 /nfs/dbraw/zinc/80/19/60/562801960.db2.gz ZRJXFKJEVUDROQ-XMMPIXPASA-N 0 0 649.843 4.577 1 0 KJAFRN O=C(Nc1ccccc1)N[C@@H](CCC(=O)N1CCN(c2nsc3ccccc32)CC1)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000096922990 562801962 /nfs/dbraw/zinc/80/19/62/562801962.db2.gz HMPXCMXUFSRDTO-MHZLTWQESA-N 0 0 668.849 4.874 1 0 KJAFRN O=C(Nc1ccccc1)N[C@H](CCC(=O)N1CCN(c2nsc3ccccc32)CC1)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000096922991 562801938 /nfs/dbraw/zinc/80/19/38/562801938.db2.gz HMPXCMXUFSRDTO-HHHXNRCGSA-N 0 0 668.849 4.874 1 0 KJAFRN COc1cc(/C=C2\OC(=O)C(c3ccc(F)cc3)=C2c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC ZINC000096923091 562801994 /nfs/dbraw/zinc/80/19/94/562801994.db2.gz OGLVZJLSNNBWFS-BKUYFWCQSA-N 0 0 510.539 4.764 1 0 KJAFRN CC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1 ZINC000096923483 562802103 /nfs/dbraw/zinc/80/21/03/562802103.db2.gz HCSSWFKULPRADJ-UHFFFAOYSA-N 0 0 521.625 4.507 1 0 KJAFRN CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1[C@H](C)[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000096923808 562802161 /nfs/dbraw/zinc/80/21/61/562802161.db2.gz DWVIQELWWSHAMP-MLNKVOOQSA-N 0 0 597.756 4.804 1 0 KJAFRN COc1cc(C(C)C)c(Cn2cnc3c2nc(N)nc3NC2CCCC2)cc1I ZINC000096924154 562802268 /nfs/dbraw/zinc/80/22/68/562802268.db2.gz IEPAHDDQYCNEMT-UHFFFAOYSA-N 0 0 506.392 4.548 1 0 KJAFRN CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1[C@@H](C)[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000096924358 562802331 /nfs/dbraw/zinc/80/23/31/562802331.db2.gz DWVIQELWWSHAMP-VRLOHSJRSA-N 0 0 597.756 4.804 1 0 KJAFRN CCOC(=O)C1=C(C(=O)OCC)N(c2nc3ccc(OC)cc3s2)CN(c2nc3ccc(OC)cc3s2)C1 ZINC000096927602 562802676 /nfs/dbraw/zinc/80/26/76/562802676.db2.gz GPDVVNRQPSBFLQ-UHFFFAOYSA-N 0 0 554.650 4.588 1 0 KJAFRN Cc1ccc(-c2cnc(C(=O)[C@H](C[C@@H]3CCNC3=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)s2)cc1 ZINC000096928575 562802938 /nfs/dbraw/zinc/80/29/38/562802938.db2.gz BOWYYJPQRKBSLY-SDHOMARFSA-N 0 0 576.719 4.653 1 0 KJAFRN CCOC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2ccc(Br)cc2)c1C(=O)OCC ZINC000096928596 562802966 /nfs/dbraw/zinc/80/29/66/562802966.db2.gz IDAGOBSYNJGECA-UHFFFAOYSA-N 0 0 511.328 4.762 1 0 KJAFRN O=C(N1CCCCC1)N1CCn2cc(C3=C(c4coc5ccccc54)C(=O)NC3=O)c3cc(F)cc(c32)C1 ZINC000096929131 562803017 /nfs/dbraw/zinc/80/30/17/562803017.db2.gz GJQXKPKXRZBKFA-UHFFFAOYSA-N 0 0 512.541 4.515 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CC(C)(C)C[C@H]3O[C@@H]4OCC[C@@H]4[C@H]32)cc1 ZINC000096929773 562803125 /nfs/dbraw/zinc/80/31/25/562803125.db2.gz DSIZTJKHNCNJNW-BTZPPBCFSA-N 0 0 644.831 4.607 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CC(C)(C)C[C@@H]3O[C@H]4OCC[C@H]4[C@@H]32)cc1 ZINC000096929774 562803113 /nfs/dbraw/zinc/80/31/13/562803113.db2.gz DSIZTJKHNCNJNW-KTKZCLBLSA-N 0 0 644.831 4.607 1 0 KJAFRN COc1ccc(-c2nn3c(nnc3-c3cccc(-c4nnc5sc(-c6ccc(OC)cc6)nn54)n3)s2)cc1 ZINC000096930284 562803186 /nfs/dbraw/zinc/80/31/86/562803186.db2.gz LRBHHCZKUWHRLT-UHFFFAOYSA-N 0 0 539.606 4.765 1 0 KJAFRN O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)P(=O)(OCC(F)(F)F)OCC(F)(F)F)OCc1ccccc1 ZINC000096933783 562803647 /nfs/dbraw/zinc/80/36/47/562803647.db2.gz HJIHESCZRPXXNN-UEOMBKFZSA-N 0 0 689.587 4.932 1 0 KJAFRN O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@H]1CCNC1=O)[C@@H](O)P(=O)(OCC(F)(F)F)OCC(F)(F)F)OCc1ccccc1 ZINC000096933784 562803673 /nfs/dbraw/zinc/80/36/73/562803673.db2.gz HJIHESCZRPXXNN-KXEAFHOWSA-N 0 0 689.587 4.932 1 0 KJAFRN O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)P(=O)(OCC(F)(F)F)OCC(F)(F)F)OCc1ccccc1 ZINC000096933785 562803702 /nfs/dbraw/zinc/80/37/02/562803702.db2.gz HJIHESCZRPXXNN-DEJKCJRPSA-N 0 0 689.587 4.932 1 0 KJAFRN O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@H]1CCNC1=O)[C@H](O)P(=O)(OCC(F)(F)F)OCC(F)(F)F)OCc1ccccc1 ZINC000096933786 562803677 /nfs/dbraw/zinc/80/36/77/562803677.db2.gz HJIHESCZRPXXNN-HXKBJWFLSA-N 0 0 689.587 4.932 1 0 KJAFRN NS(=O)(=O)c1ccc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c(Cl)c1 ZINC000096934389 562803839 /nfs/dbraw/zinc/80/38/39/562803839.db2.gz PIPMMPYCGNCKMU-UHFFFAOYSA-N 0 0 652.340 4.838 1 0 KJAFRN NS(=O)(=O)c1ccc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c(Br)c1 ZINC000096934390 562803833 /nfs/dbraw/zinc/80/38/33/562803833.db2.gz NVKILHRCYSYDIT-UHFFFAOYSA-N 0 0 696.791 4.947 1 0 KJAFRN CC(C)C[C@H](NC(=O)c1cc2c(cccc2OC(C)C)[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 ZINC000096935238 562804037 /nfs/dbraw/zinc/80/40/37/562804037.db2.gz QDOZGFCRSLNJBV-IGKWTDBASA-N 0 0 603.745 4.603 1 0 KJAFRN CC(C)COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c3nc4ccccc4s3)cc21 ZINC000096935239 562804053 /nfs/dbraw/zinc/80/40/53/562804053.db2.gz NTHJYOHUJPHCJD-OPXMRZJTSA-N 0 0 617.772 4.851 1 0 KJAFRN CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Cl)[nH]c3ccccc32)C(=O)N[C@H]1c1ccc(O)cc1 ZINC000096937432 562804196 /nfs/dbraw/zinc/80/41/96/562804196.db2.gz SRZJEPUYAKAFIE-KCQCJHCESA-N 0 0 681.230 4.828 1 0 in-vitro KJAFRN C/C1=C\[C@@H](C)[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000096937433 562804185 /nfs/dbraw/zinc/80/41/85/562804185.db2.gz NCRSWJPOFRASIF-HPUNWYTPSA-N 0 0 616.759 4.549 1 0 in-vitro KJAFRN CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000096937435 562804201 /nfs/dbraw/zinc/80/42/01/562804201.db2.gz YYNZBGSNFWSHDJ-WTJMTKHDSA-N 0 0 644.813 4.777 1 0 KJAFRN CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000096937437 562804208 /nfs/dbraw/zinc/80/42/08/562804208.db2.gz LGYOJJXUQWKCAB-XYDQKOHOSA-N 0 0 648.776 4.608 1 0 KJAFRN COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)c3ccccc3NC2=O)cc1OC ZINC000096937482 562804262 /nfs/dbraw/zinc/80/42/62/562804262.db2.gz DZRZMERMCXWRSP-YTTGMZPUSA-N 0 0 530.665 4.999 1 0 KJAFRN COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)c3ccccc3NC2=O)cc1OC ZINC000096937483 562804229 /nfs/dbraw/zinc/80/42/29/562804229.db2.gz DZRZMERMCXWRSP-JGCGQSQUSA-N 0 0 530.665 4.999 1 0 KJAFRN COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)c3cc(OC)ccc3NC2=O)cc1 ZINC000096937486 562804244 /nfs/dbraw/zinc/80/42/44/562804244.db2.gz GQNQTRYEYHQKDC-YTTGMZPUSA-N 0 0 530.665 4.999 1 0 KJAFRN COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)c3cc(OC)ccc3NC2=O)cc1 ZINC000096937487 562804221 /nfs/dbraw/zinc/80/42/21/562804221.db2.gz GQNQTRYEYHQKDC-JGCGQSQUSA-N 0 0 530.665 4.999 1 0 KJAFRN COC(=O)c1cccc2c1NC(=O)[C@]2(c1ccc(OC)cc1)c1cc(C(C)(C)C)ccc1OCCN1CCOCC1 ZINC000096937488 562804223 /nfs/dbraw/zinc/80/42/23/562804223.db2.gz DJFAFVFKECTWMD-XIFFEERXSA-N 0 0 558.675 4.777 1 0 KJAFRN COC(=O)c1cccc2c1NC(=O)[C@@]2(c1ccc(OC)cc1)c1cc(C(C)(C)C)ccc1OCCN1CCOCC1 ZINC000096937489 562804240 /nfs/dbraw/zinc/80/42/40/562804240.db2.gz DJFAFVFKECTWMD-MGBGTMOVSA-N 0 0 558.675 4.777 1 0 KJAFRN CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(-c4ccc(Cl)cc4)nn3c2)c1F ZINC000096937600 562804292 /nfs/dbraw/zinc/80/42/92/562804292.db2.gz AUAASSAIAFFIHE-UHFFFAOYSA-N 0 0 505.934 4.732 1 0 KJAFRN CCn1c(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 ZINC000096937668 562804274 /nfs/dbraw/zinc/80/42/74/562804274.db2.gz QJWNPMSPLLHKMZ-QFIPXVFZSA-N 0 0 556.700 4.751 1 0 KJAFRN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2nc3ccccc3s2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000096937868 562804350 /nfs/dbraw/zinc/80/43/50/562804350.db2.gz FKCYCFSPZIQVME-PTGCQICZSA-N 0 0 685.828 4.524 1 0 KJAFRN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2nc3ccccc3s2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000096937871 562804367 /nfs/dbraw/zinc/80/43/67/562804367.db2.gz FKCYCFSPZIQVME-SHZFFEMHSA-N 0 0 685.828 4.524 1 0 KJAFRN CCCCOc1ccc(S(=O)(=O)NCCc2cn(CC(=O)Nc3ccc(OC)cc3)c3ccccc23)cc1 ZINC000096937935 562804372 /nfs/dbraw/zinc/80/43/72/562804372.db2.gz KKOVFLLJOGLPHQ-UHFFFAOYSA-N 0 0 535.666 4.989 1 0 KJAFRN Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)N=C2c2ccccc2)cc1 ZINC000096937999 562804384 /nfs/dbraw/zinc/80/43/84/562804384.db2.gz DGSRTIWUWIQFBZ-UHFFFAOYSA-N 0 0 544.658 4.722 1 0 KJAFRN COc1ccc(-c2[nH]c3cc(OC)c(OC)c(OC)c3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000096938037 562804451 /nfs/dbraw/zinc/80/44/51/562804451.db2.gz JWSVLWIPTNMDAC-UHFFFAOYSA-N 0 0 523.538 4.832 1 0 KJAFRN CN1CCN(c2cc3nc(/C=C/c4ccc(NC(=O)CN5CCCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938706 562804532 /nfs/dbraw/zinc/80/45/32/562804532.db2.gz KCQSFNDLWOJIJZ-NTCAYCPXSA-N 0 0 580.708 4.871 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(S(=O)(=O)N5CCN(c6ccc(F)cc6)CC5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000096938873 562804611 /nfs/dbraw/zinc/80/46/11/562804611.db2.gz LFDBBQFXPCOBKJ-ZHDMNIQSSA-N 0 0 717.772 4.876 1 0 KJAFRN CCOP(=O)(OCC)[C@H](O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1 ZINC000096938999 562804638 /nfs/dbraw/zinc/80/46/38/562804638.db2.gz RFOHSHVYRLKDPI-WGDAFLNKSA-N 0 0 738.819 4.804 1 0 KJAFRN CCOP(=O)(OCC)[C@@H](O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OCc1ccccc1 ZINC000096939000 562804633 /nfs/dbraw/zinc/80/46/33/562804633.db2.gz RFOHSHVYRLKDPI-FPWHDBHHSA-N 0 0 738.819 4.804 1 0 KJAFRN O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2ccccn2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000096939399 562804781 /nfs/dbraw/zinc/80/47/81/562804781.db2.gz VJRZNZLFHHEYSC-JOCHJYFZSA-N 0 0 508.953 4.897 1 0 KJAFRN O=C1C(CC(F)(F)F)=C[C@](O)(CSc2ccccn2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000096939400 562804759 /nfs/dbraw/zinc/80/47/59/562804759.db2.gz VJRZNZLFHHEYSC-QFIPXVFZSA-N 0 0 508.953 4.897 1 0 KJAFRN O=C1C(CC(F)(F)F)=C[C@](O)(CSc2ccncc2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000096939401 562804730 /nfs/dbraw/zinc/80/47/30/562804730.db2.gz TYEKWYPEWYDAMY-QFIPXVFZSA-N 0 0 508.953 4.897 1 0 KJAFRN O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2ccncc2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000096939402 562804733 /nfs/dbraw/zinc/80/47/33/562804733.db2.gz TYEKWYPEWYDAMY-JOCHJYFZSA-N 0 0 508.953 4.897 1 0 KJAFRN Cc1cc2oc(=O)cc(-c3cccc(NS(C)(=O)=O)c3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 ZINC000096940134 562804844 /nfs/dbraw/zinc/80/48/44/562804844.db2.gz AJMIMQDXTBDANZ-UHFFFAOYSA-N 0 0 518.635 4.948 1 0 KJAFRN CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000096940202 562804922 /nfs/dbraw/zinc/80/49/22/562804922.db2.gz XWLONETVJPZQKQ-RUZDIDTESA-N 0 0 530.654 4.531 1 0 KJAFRN CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000096940203 562804919 /nfs/dbraw/zinc/80/49/19/562804919.db2.gz XWLONETVJPZQKQ-VWLOTQADSA-N 0 0 530.654 4.531 1 0 KJAFRN CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940206 562804911 /nfs/dbraw/zinc/80/49/11/562804911.db2.gz PCVUBRKQJSUBFP-VWLOTQADSA-N 0 0 532.670 4.777 1 0 KJAFRN CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940207 562804914 /nfs/dbraw/zinc/80/49/14/562804914.db2.gz PCVUBRKQJSUBFP-RUZDIDTESA-N 0 0 532.670 4.777 1 0 KJAFRN CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940208 562804903 /nfs/dbraw/zinc/80/49/03/562804903.db2.gz LLDUVMWNWSALDZ-VWLOTQADSA-N 0 0 518.643 4.531 1 0 KJAFRN CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940209 562804908 /nfs/dbraw/zinc/80/49/08/562804908.db2.gz LLDUVMWNWSALDZ-RUZDIDTESA-N 0 0 518.643 4.531 1 0 KJAFRN CC(=O)Nc1ccc(N(C(=O)Cn2cc(-c3ccccc3)nn2)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940214 562804912 /nfs/dbraw/zinc/80/49/12/562804912.db2.gz YMECBKWQUTXDSE-SANMLTNESA-N 0 0 530.654 4.654 1 0 KJAFRN CC(=O)Nc1ccc(N(C(=O)Cn2cc(-c3ccccc3)nn2)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940215 562804915 /nfs/dbraw/zinc/80/49/15/562804915.db2.gz YMECBKWQUTXDSE-AREMUKBSSA-N 0 0 530.654 4.654 1 0 KJAFRN COc1ccc(CN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1 ZINC000098081936 562805162 /nfs/dbraw/zinc/80/51/62/562805162.db2.gz GGEKEQQMAFHMEI-FJBZCAAKSA-N 0 0 572.658 4.880 1 0 KJAFRN COc1ccc(CN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1 ZINC000098081937 562805178 /nfs/dbraw/zinc/80/51/78/562805178.db2.gz GGEKEQQMAFHMEI-OVFXHNNVSA-N 0 0 572.658 4.880 1 0 KJAFRN O=C(COc1nc(-c2cccs2)nc2ccc(I)cc21)NN1C(=O)c2cccc3cccc(c32)C1=O ZINC000098082112 562805218 /nfs/dbraw/zinc/80/52/18/562805218.db2.gz GRFNQIDOLGGQBN-UHFFFAOYSA-N 0 0 606.401 4.822 1 0 KJAFRN O=C1C(=O)N(CCCSC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc21 ZINC000098082276 562805202 /nfs/dbraw/zinc/80/52/02/562805202.db2.gz CQLHBVDFXGZYCW-UHFFFAOYSA-N 0 0 512.459 4.892 1 0 KJAFRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc(Cl)cc3)sc2=N1 ZINC000098082817 562805335 /nfs/dbraw/zinc/80/53/35/562805335.db2.gz JPBDFDGBYWBDSD-XPCGLTFESA-N 0 0 521.976 4.806 1 0 KJAFRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc(Cl)cc3)sc2=N1 ZINC000098082818 562805365 /nfs/dbraw/zinc/80/53/65/562805365.db2.gz JPBDFDGBYWBDSD-MGSPXPDISA-N 0 0 521.976 4.806 1 0 KJAFRN CC1(C)O[C@H]2O[C@H]([C@@H]3CC(=O)N(Cc4ccccc4)C(=O)N3Cc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000098083040 562805395 /nfs/dbraw/zinc/80/53/95/562805395.db2.gz HTMFHQBHGWWOAH-VDKDFJRPSA-N 0 0 542.632 4.872 1 0 KJAFRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Br)cc2)n2c(=O)/c(=C\c3ccccc3)sc2=N1 ZINC000098083346 562805422 /nfs/dbraw/zinc/80/54/22/562805422.db2.gz RLAONOPRYMMZAI-NLZIUFDSSA-N 0 0 548.437 4.776 1 0 KJAFRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)n2c(=O)/c(=C\c3ccccc3)sc2=N1 ZINC000098083347 562805414 /nfs/dbraw/zinc/80/54/14/562805414.db2.gz RLAONOPRYMMZAI-WLGHQHAYSA-N 0 0 548.437 4.776 1 0 KJAFRN COc1cc([C@H]2C[C@]3(C)O[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C[C@@H]3[C@@H](O2)C(=O)[C@@H]4C)cc(OC)c1OC ZINC000098083463 562805434 /nfs/dbraw/zinc/80/54/34/562805434.db2.gz GVXCBZVARFSSLB-BMUZMANMSA-N 0 0 542.625 4.940 1 0 KJAFRN COc1ccc([C@H]2C[C@]3(C)O[C@H](c4ccc(OC)c(OC)c4OC)[C@H]4C[C@@H]3[C@@H](O2)C(=O)[C@@H]4C)c(OC)c1OC ZINC000098083464 562805462 /nfs/dbraw/zinc/80/54/62/562805462.db2.gz JJAKYZKICCWPNL-ZUZWDYOFSA-N 0 0 542.625 4.940 1 0 KJAFRN COc1ccccc1-n1c(=O)c2ccccc2nc1-c1sc(N2CCN(C)CC2)nc1-c1ccccc1 ZINC000098084254 562805632 /nfs/dbraw/zinc/80/56/32/562805632.db2.gz GCABMWYGGCZDTD-UHFFFAOYSA-N 0 0 509.635 4.937 1 0 KJAFRN CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)[NH2+]C[C@H](O)c3cccc([N-]S(=O)(=O)c4cccs4)c3)c[nH]c21 ZINC000098084275 562805645 /nfs/dbraw/zinc/80/56/45/562805645.db2.gz ABZONQSYSVGCDW-NLFFAJNJSA-N 0 0 584.764 4.532 1 0 KJAFRN Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1Br ZINC000098084464 562805674 /nfs/dbraw/zinc/80/56/74/562805674.db2.gz GEGJABYLALYXFH-UHFFFAOYSA-N 0 0 510.219 4.894 1 0 KJAFRN CC1(C)O[C@H]2O[C@H]([C@H]3CC(=O)N(Cc4ccccc4)C(=O)N3Cc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000098085046 562805784 /nfs/dbraw/zinc/80/57/84/562805784.db2.gz HTMFHQBHGWWOAH-LXRLAABLSA-N 0 0 542.632 4.872 1 0 KJAFRN CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1 ZINC000098085049 562805765 /nfs/dbraw/zinc/80/57/65/562805765.db2.gz XFDIZEYAEIPSPE-KDQFFHPLSA-N 0 0 521.397 4.612 1 0 KJAFRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccccc3Cl)sc2=N1 ZINC000098085096 562805785 /nfs/dbraw/zinc/80/57/85/562805785.db2.gz FRIOWOYRMBSFGW-XPCGLTFESA-N 0 0 521.976 4.806 1 0 KJAFRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccccc3Cl)sc2=N1 ZINC000098085097 562805758 /nfs/dbraw/zinc/80/57/58/562805758.db2.gz FRIOWOYRMBSFGW-MGSPXPDISA-N 0 0 521.976 4.806 1 0 KJAFRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(F)cc3)sc2=N1 ZINC000098085098 562805780 /nfs/dbraw/zinc/80/57/80/562805780.db2.gz KDZKGKLWLGKCSP-XPCGLTFESA-N 0 0 521.976 4.806 1 0 KJAFRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(F)cc3)sc2=N1 ZINC000098085099 562805757 /nfs/dbraw/zinc/80/57/57/562805757.db2.gz KDZKGKLWLGKCSP-MGSPXPDISA-N 0 0 521.976 4.806 1 0 KJAFRN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C(C(=O)Nc2ccc(F)cc2)=C(C)N=3)cc1OC ZINC000098085102 562805783 /nfs/dbraw/zinc/80/57/83/562805783.db2.gz ZNDMFBUTPYOQST-GVMLUORFSA-N 0 0 608.489 4.793 1 0 KJAFRN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C(C(=O)Nc2ccc(F)cc2)=C(C)N=3)cc1OC ZINC000098085103 562805767 /nfs/dbraw/zinc/80/57/67/562805767.db2.gz ZNDMFBUTPYOQST-KMBIYUNPSA-N 0 0 608.489 4.793 1 0 KJAFRN COc1ccc(N2C(=S)N=NC2CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1 ZINC000098085437 562805852 /nfs/dbraw/zinc/80/58/52/562805852.db2.gz WBGDCYGWXKMCNC-UHFFFAOYSA-N 0 0 501.637 4.810 1 0 KJAFRN CCCCc1ccc(N2C(=O)C[C@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OC)N(Cc3ccccc3)C2=O)cc1 ZINC000098085578 562805842 /nfs/dbraw/zinc/80/58/42/562805842.db2.gz TYLIBYHOKOITGW-UIKHAHSZSA-N 0 0 508.615 4.648 1 0 KJAFRN CCCCc1ccc(N2C(=O)C[C@@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OC)N(Cc3ccccc3)C2=O)cc1 ZINC000098085579 562805849 /nfs/dbraw/zinc/80/58/49/562805849.db2.gz TYLIBYHOKOITGW-UHZLQASHSA-N 0 0 508.615 4.648 1 0 KJAFRN O=C1[C@H]2[C@H](C(=O)N1CCN1C(=O)[C@H]3[C@@H](C1=O)C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21 ZINC000098085763 562805890 /nfs/dbraw/zinc/80/58/90/562805890.db2.gz PCUCNAKNOYLCSV-FCUJKCQSSA-N 0 0 576.652 4.771 1 0 KJAFRN O=C1[C@H]2[C@@H](C(=O)N1CCN1C(=O)[C@H]3[C@@H](C1=O)C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21 ZINC000098085764 562805867 /nfs/dbraw/zinc/80/58/67/562805867.db2.gz PCUCNAKNOYLCSV-IGJZEACDSA-N 0 0 576.652 4.771 1 0 KJAFRN O=C1[C@H]2[C@@H](C(=O)N1CCN1C(=O)[C@@H]3[C@@H](C1=O)C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21 ZINC000098085765 562805891 /nfs/dbraw/zinc/80/58/91/562805891.db2.gz PCUCNAKNOYLCSV-QLROZZIJSA-N 0 0 576.652 4.771 1 0 KJAFRN CC[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1OC)[N@@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000098208382 562805986 /nfs/dbraw/zinc/80/59/86/562805986.db2.gz LWVFVEIAPUMILP-PGRDOPGGSA-N 0 0 528.005 4.786 1 0 in-vitro KJAFRN O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1 ZINC000098208406 562806029 /nfs/dbraw/zinc/80/60/29/562806029.db2.gz DVVVOLSRHWJCHV-UHFFFAOYSA-N 0 0 527.387 4.744 1 0 in-vitro KJAFRN Cc1c([N-]S(=O)(=O)c2c(Cl)cc(-c3ccnc(N4CC[NH2+]CC4)c3)cc2Cl)c(CC(C)C)nn1C ZINC000098209285 562806052 /nfs/dbraw/zinc/80/60/52/562806052.db2.gz WKTSLVQYGBHNRV-UHFFFAOYSA-N 0 0 537.517 4.506 1 0 in-vitro KJAFRN NC(=O)c1c(N)n(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2nc3ccccc3nc21 ZINC000098209331 562806067 /nfs/dbraw/zinc/80/60/67/562806067.db2.gz RQXYLZHJULSWPX-UHFFFAOYSA-N 0 0 505.460 4.918 1 0 in-vitro KJAFRN CN1C=C[C@@H](C[C@H]2C=CN(C)C=C2C(=O)NCCCC(=O)OCc2ccccc2)C(C(=O)NCCCC(=O)OCc2ccccc2)=C1 ZINC000100042909 562806337 /nfs/dbraw/zinc/80/63/37/562806337.db2.gz AOTMYXYTCOJKJL-QRRGNZNSSA-N 0 0 640.781 4.575 1 0 KJAFRN CN1C=C[C@@H](C[C@@H]2C=CN(C)C=C2C(=O)NCCCC(=O)OCc2ccccc2)C(C(=O)NCCCC(=O)OCc2ccccc2)=C1 ZINC000100042912 562806342 /nfs/dbraw/zinc/80/63/42/562806342.db2.gz AOTMYXYTCOJKJL-CONSDPRKSA-N 0 0 640.781 4.575 1 0 KJAFRN CN1C=C[C@H](C[C@H]2C=CN(C)C=C2C(=O)NCCCC(=O)OCc2ccccc2)C(C(=O)NCCCC(=O)OCc2ccccc2)=C1 ZINC000100042914 562806317 /nfs/dbraw/zinc/80/63/17/562806317.db2.gz AOTMYXYTCOJKJL-FIRIVFDPSA-N 0 0 640.781 4.575 1 0 KJAFRN O=S(=O)(N[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccn1 ZINC000100061189 562806513 /nfs/dbraw/zinc/80/65/13/562806513.db2.gz IHTDUZYFQXWLFI-QRTMHTFLSA-N 0 0 527.014 4.604 1 0 KJAFRN CCOC(=O)C1C(=O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)n2nnc(-c3ccccc3)n2)[C@@H]1c1ccccc1 ZINC000100102050 562806816 /nfs/dbraw/zinc/80/68/16/562806816.db2.gz UEYSICTYKYLXTB-PSCLLAMSSA-N 0 0 525.609 4.783 1 0 KJAFRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2cccs2)N2[C@@H]4C(=O)N(c5ccc(C)cc5)C(=O)[C@@H]4[C@@H](c4cccs4)N32)cc1 ZINC000100392993 554367944 /nfs/dbraw/zinc/36/79/44/554367944.db2.gz SOEGIFSLPAGFKR-HKVPEBPQSA-N 0 0 594.718 4.871 1 0 KJAFRN O=S(=O)(C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC1 ZINC000100420028 562806959 /nfs/dbraw/zinc/80/69/59/562806959.db2.gz OFTOYMCRCCAFGE-MIRVZWSXSA-N 0 0 504.020 4.513 1 0 KJAFRN CCOc1cccc2c1S(=O)(=O)N=C2C1C(=O)[C@H](C(C)(C)C)N(Cc2ccc(F)c(Cl)c2)C1=O ZINC000100425013 562806985 /nfs/dbraw/zinc/80/69/85/562806985.db2.gz MLGCEBDIYLWTPD-JOCHJYFZSA-N 0 0 506.983 4.638 1 0 KJAFRN CCCCc1ncc(C=C2C(=O)[N-]C(=O)N2CCCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000100715786 562807249 /nfs/dbraw/zinc/80/72/49/562807249.db2.gz XEKDNMWGRDRXRS-UQQQWYQISA-N 0 0 524.629 4.814 1 0 KJAFRN COC(=O)Oc1cccc2c3cc(-c4ccccc4)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c(O)c-3nc21 ZINC000100729434 562807274 /nfs/dbraw/zinc/80/72/74/562807274.db2.gz BRWPQCCUELZBCD-NRFANRHFSA-N 0 0 543.498 4.931 1 0 KJAFRN COC(=O)Oc1cccc2c3cc(-c4ccccc4)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c(O)c-3nc21 ZINC000100729436 562807265 /nfs/dbraw/zinc/80/72/65/562807265.db2.gz BRWPQCCUELZBCD-OAQYLSRUSA-N 0 0 543.498 4.931 1 0 KJAFRN COP(=O)(OC)c1ccc2nc3c(O)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c(-c4ccccc4)cc-3c2c1 ZINC000100729455 562807282 /nfs/dbraw/zinc/80/72/82/562807282.db2.gz QRRSZFYGAVQQFB-QHCPKHFHSA-N 0 0 577.496 4.897 1 0 KJAFRN COP(=O)(OC)c1ccc2nc3c(O)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c(-c4ccccc4)cc-3c2c1 ZINC000100729457 562807283 /nfs/dbraw/zinc/80/72/83/562807283.db2.gz QRRSZFYGAVQQFB-HSZRJFAPSA-N 0 0 577.496 4.897 1 0 KJAFRN COP(=O)(OC)c1cccc2c3cc(-c4ccccc4)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c(O)c-3nc21 ZINC000100729472 562807284 /nfs/dbraw/zinc/80/72/84/562807284.db2.gz TZCWVYSZHJUCIX-QFIPXVFZSA-N 0 0 577.496 4.897 1 0 KJAFRN COP(=O)(OC)c1cccc2c3cc(-c4ccccc4)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c(O)c-3nc21 ZINC000100729477 562807264 /nfs/dbraw/zinc/80/72/64/562807264.db2.gz TZCWVYSZHJUCIX-JOCHJYFZSA-N 0 0 577.496 4.897 1 0 KJAFRN COC(=O)c1cccc2c3cc(-c4ccccc4)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c(O)c-3nc21 ZINC000100729509 562807267 /nfs/dbraw/zinc/80/72/67/562807267.db2.gz VORBNABBCOWPLV-NRFANRHFSA-N 0 0 527.499 4.573 1 0 KJAFRN COC(=O)c1cccc2c3cc(-c4ccccc4)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c(O)c-3nc21 ZINC000100729512 562807261 /nfs/dbraw/zinc/80/72/61/562807261.db2.gz VORBNABBCOWPLV-OAQYLSRUSA-N 0 0 527.499 4.573 1 0 KJAFRN C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)C(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@]21CO ZINC000100776692 574418670 /nfs/dbraw/zinc/41/86/70/574418670.db2.gz BKBHDJLHSWOMFP-WEAFTVGQSA-N 0 0 588.826 4.543 1 0 endogenous,in-man KJAFRN C/C=C(/C)C(=O)O[C@H]1[C@@H](O)C(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@]21CO ZINC000100776695 574418672 /nfs/dbraw/zinc/41/86/72/574418672.db2.gz BKBHDJLHSWOMFP-CWTCNVLESA-N 0 0 588.826 4.543 1 0 endogenous,in-man KJAFRN C/C=C(/C)C(=O)O[C@@H]1[C@H](O)C(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@]21CO ZINC000100776698 574418671 /nfs/dbraw/zinc/41/86/71/574418671.db2.gz BKBHDJLHSWOMFP-ALCRERIOSA-N 0 0 588.826 4.543 1 0 endogenous,in-man KJAFRN C/C=C(/C)C(=O)O[C@H]1[C@H](O)C(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@]21CO ZINC000100776699 574418676 /nfs/dbraw/zinc/41/86/76/574418676.db2.gz BKBHDJLHSWOMFP-OZSCGFFVSA-N 0 0 588.826 4.543 1 0 endogenous,in-man KJAFRN CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777030 574418697 /nfs/dbraw/zinc/41/86/97/574418697.db2.gz CQTXDSXQPBLXND-UCPOJJDASA-N 0 0 584.835 4.833 1 0 endogenous,in-man KJAFRN CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777033 574418692 /nfs/dbraw/zinc/41/86/92/574418692.db2.gz CQTXDSXQPBLXND-LXHGTDCASA-N 0 0 584.835 4.833 1 0 endogenous,in-man KJAFRN CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777036 574418704 /nfs/dbraw/zinc/41/87/04/574418704.db2.gz CQTXDSXQPBLXND-LTKJYBLGSA-N 0 0 584.835 4.833 1 0 endogenous,in-man KJAFRN CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777039 574418701 /nfs/dbraw/zinc/41/87/01/574418701.db2.gz CQTXDSXQPBLXND-HYEWTZGPSA-N 0 0 584.835 4.833 1 0 endogenous,in-man KJAFRN COC(=O)[C@@]12CC[C@@H](C)[C@@](C)(O)[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 ZINC000100777490 574418736 /nfs/dbraw/zinc/41/87/36/574418736.db2.gz ZCWVJVNYHGWIEF-XFSAUTJISA-N 0 0 618.852 4.756 1 0 endogenous,in-man KJAFRN COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 ZINC000100777491 574418740 /nfs/dbraw/zinc/41/87/40/574418740.db2.gz ZCWVJVNYHGWIEF-VYKMPPDASA-N 0 0 618.852 4.756 1 0 endogenous,in-man KJAFRN COC(=O)[C@@]12CC[C@H](C)[C@@](C)(O)[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 ZINC000100777492 574418734 /nfs/dbraw/zinc/41/87/34/574418734.db2.gz ZCWVJVNYHGWIEF-NTKZCHRDSA-N 0 0 618.852 4.756 1 0 endogenous,in-man KJAFRN COC(=O)[C@]12CC[C@H](C)[C@@](C)(O)[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 ZINC000100777494 574418742 /nfs/dbraw/zinc/41/87/42/574418742.db2.gz ZCWVJVNYHGWIEF-HQWKYKIYSA-N 0 0 618.852 4.756 1 0 endogenous,in-man KJAFRN CC1(C)C[C@@H](O)[C@@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100784165 571841561 /nfs/dbraw/zinc/84/15/61/571841561.db2.gz SYUYZPNEOBRDLE-PTGDTKKCSA-N 0 0 590.842 4.575 1 0 endogenous,in-man KJAFRN CC1(C)C[C@H](O)[C@@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100784168 571841573 /nfs/dbraw/zinc/84/15/73/571841573.db2.gz SYUYZPNEOBRDLE-BGOPUYRJSA-N 0 0 590.842 4.575 1 0 endogenous,in-man KJAFRN CC1(C)C[C@@H](O)[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100784171 571841649 /nfs/dbraw/zinc/84/16/49/571841649.db2.gz SYUYZPNEOBRDLE-PIWFJIABSA-N 0 0 590.842 4.575 1 0 endogenous,in-man KJAFRN CC1(C)C[C@H](O)[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100784174 571841610 /nfs/dbraw/zinc/84/16/10/571841610.db2.gz SYUYZPNEOBRDLE-VAGTVYMHSA-N 0 0 590.842 4.575 1 0 endogenous,in-man KJAFRN NC(=O)O[C@@H]1Cc2ccccc2[C@H]1C1=CN[C@@](Cc2ccccc2)(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)C1=O ZINC000100805046 562808008 /nfs/dbraw/zinc/80/80/08/562808008.db2.gz TXVHFDSHRAWPHE-ITYMXCGSSA-N 0 0 625.722 4.546 1 0 KJAFRN NC(=O)O[C@@H]1Cc2ccccc2[C@@H]1C1=CN[C@@](Cc2ccccc2)(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)C1=O ZINC000100805047 562808018 /nfs/dbraw/zinc/80/80/18/562808018.db2.gz TXVHFDSHRAWPHE-YXCXSNCSSA-N 0 0 625.722 4.546 1 0 KJAFRN CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C)C1=CN[C@](CC(=O)N2CCOCC2)(Cc2ccccc2)C1=O ZINC000100821590 562808125 /nfs/dbraw/zinc/80/81/25/562808125.db2.gz MWPOBVSGUGYVNV-HCLDUXSNSA-N 0 0 639.878 4.999 1 0 KJAFRN Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)C ZINC000100840142 562808178 /nfs/dbraw/zinc/80/81/78/562808178.db2.gz SKJYBEQFKWHPED-MXMKXLMGSA-N 0 0 529.725 4.520 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)NC=C([C@@H]2c3ccccc3[C@H]3NC(=O)O[C@@H]32)C1=O)O[C@H]1CCOC1 ZINC000101035857 562808874 /nfs/dbraw/zinc/80/88/74/562808874.db2.gz XCHMQMOYZOJJSC-OKAHHIONSA-N 0 0 623.706 4.689 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)NC=C([C@H]2c3ccccc3[C@H]3NC(=O)O[C@@H]32)C1=O)O[C@H]1CCOC1 ZINC000101035859 562808833 /nfs/dbraw/zinc/80/88/33/562808833.db2.gz XCHMQMOYZOJJSC-TYSMHPEQSA-N 0 0 623.706 4.689 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)NC=C([C@@H]2c3ccccc3[C@H]3NC(=O)O[C@H]32)C1=O)O[C@H]1CCOC1 ZINC000101035860 562808843 /nfs/dbraw/zinc/80/88/43/562808843.db2.gz XCHMQMOYZOJJSC-OOWVLIAMSA-N 0 0 623.706 4.689 1 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)NC=C([C@H]2c3ccccc3[C@H]3NC(=O)O[C@H]32)C1=O)O[C@H]1CCOC1 ZINC000101035862 562808852 /nfs/dbraw/zinc/80/88/52/562808852.db2.gz XCHMQMOYZOJJSC-JTWMYQFXSA-N 0 0 623.706 4.689 1 0 KJAFRN C=C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H]1CC/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@H](O)[C@H](C)/C=C\C=C\C(=O)O1 ZINC000101083416 562809047 /nfs/dbraw/zinc/80/90/47/562809047.db2.gz IBTYALOYSQKEFO-STVJGLRDSA-N 0 0 516.719 4.673 1 0 KJAFRN CCCn1cc(-c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(-c5cn(CCC)c(=N)nc5N)cc4)cc3)cc2)c(N)nc1=N ZINC000101117643 562809320 /nfs/dbraw/zinc/80/93/20/562809320.db2.gz UNEIKXVPGNAGDL-UHFFFAOYSA-N 0 0 616.730 4.862 1 0 KJAFRN C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCc1ccccc1 ZINC000101127210 562809353 /nfs/dbraw/zinc/80/93/53/562809353.db2.gz DZYVWZMRFNHMOU-HXUWFJFHSA-N 0 0 577.056 4.543 1 0 KJAFRN Cc1cc(C)n2nc(CC3C(=O)C[C@@](CCc4ccc(C(C)(C)O)c(F)c4)(C4CCCC4)OC3=O)nc2n1 ZINC000101270183 562810106 /nfs/dbraw/zinc/81/01/06/562810106.db2.gz QWQFZBYPJOEIMJ-LJAQVGFWSA-N 0 0 522.621 4.971 1 0 KJAFRN Cc1cc(C)n2nc(CC3C(=O)C[C@](CCc4ccc(C(C)(C)O)c(F)c4)(C4CCCC4)OC3=O)nc2n1 ZINC000101270184 562810117 /nfs/dbraw/zinc/81/01/17/562810117.db2.gz 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ZINC000101455519 562810770 /nfs/dbraw/zinc/81/07/70/562810770.db2.gz QDVBRCKINLGLDJ-SJIPCVTESA-N 0 0 592.460 4.823 1 0 KJAFRN Cn1c2ccc(Cl)cc2n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455524 562810753 /nfs/dbraw/zinc/81/07/53/562810753.db2.gz LUYUDFYSILUPOR-FAJYDZGRSA-N 0 0 542.909 4.578 1 0 KJAFRN CCCOc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nn[nH]n3)cc1)c(=Nc1ccc(OC(F)(F)F)cc1)n2C ZINC000101455529 562810798 /nfs/dbraw/zinc/81/07/98/562810798.db2.gz YAFVCEBVJOZSCV-ZXPTYKNPSA-N 0 0 566.544 4.713 1 0 KJAFRN Cn1c2cc(Cl)ccc2n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c1=Nc1ccc(OC(F)(F)F)cc1 ZINC000101455534 562810815 /nfs/dbraw/zinc/81/08/15/562810815.db2.gz ZWHKYVJQYJNPMC-FAJYDZGRSA-N 0 0 542.909 4.578 1 0 KJAFRN CCc1cc(C(F)(F)F)cc2c1n(C)c(=Nc1ccc(C)cc1)n2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 ZINC000101455547 562810801 /nfs/dbraw/zinc/81/08/01/562810801.db2.gz WOURZOXAQQKDEF-ZXPTYKNPSA-N 0 0 534.546 4.916 1 0 KJAFRN CCc1cc(C(F)(F)F)cc2c1n(C)c(=Nc1ccc(F)cc1)n2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 ZINC000101455556 562810810 /nfs/dbraw/zinc/81/08/10/562810810.db2.gz POORGDSMXJTXRW-GDWJVWIDSA-N 0 0 538.509 4.746 1 0 KJAFRN COc1cc(C(F)(F)F)cc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 ZINC000101455559 562810795 /nfs/dbraw/zinc/81/07/95/562810795.db2.gz QOCSOYLFZWXWJI-GIBOGKFOSA-N 0 0 606.487 4.952 1 0 KJAFRN COc1cc(Cl)cc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 ZINC000101455562 562810818 /nfs/dbraw/zinc/81/08/18/562810818.db2.gz YZRQJZLHSSDVTH-KRUMMXJUSA-N 0 0 572.935 4.587 1 0 KJAFRN CCOc1cc(Cl)cc2c1n(C)c(=Nc1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 ZINC000101455567 562810807 /nfs/dbraw/zinc/81/08/07/562810807.db2.gz ZINLDZLXUJNPJH-GDWJVWIDSA-N 0 0 586.962 4.977 1 0 KJAFRN Cc1cc(=O)c(O)cc2c1C[C@@H]1C[C@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3CC(C)(C)/C=C/C[C@@]1(C)O2 ZINC000101490281 562811032 /nfs/dbraw/zinc/81/10/32/562811032.db2.gz BWTQHPFSWXJOGP-BGTYSOBZSA-N 0 0 548.676 4.882 1 0 KJAFRN CCCCC/C=C\C=C\C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000101505592 562811085 /nfs/dbraw/zinc/81/10/85/562811085.db2.gz SYXKKJDQNXPUSI-IFEMBOOLSA-N 0 0 540.697 4.630 1 0 biogenic,in-vitro KJAFRN CCCCC/C=C/C=C/C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000101508502 562811118 /nfs/dbraw/zinc/81/11/18/562811118.db2.gz SYXKKJDQNXPUSI-HDJUQUQRSA-N 0 0 540.697 4.630 1 0 KJAFRN CC(C)NCC(=O)N=[S@@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000101541467 562811265 /nfs/dbraw/zinc/81/12/65/562811265.db2.gz YQLKDVGVUIYRDQ-QNGWXLTQSA-N 0 0 562.479 4.874 1 0 KJAFRN C[S@](=O)(=NC(=O)CN1CCCC1)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000101541509 562811278 /nfs/dbraw/zinc/81/12/78/562811278.db2.gz LUNONISXCVTTAB-KXQOOQHDSA-N 0 0 574.490 4.972 1 0 KJAFRN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc([S@@](C)(=O)=NC(=O)CN2CCCC2)cc1 ZINC000101541553 562811264 /nfs/dbraw/zinc/81/12/64/562811264.db2.gz NUYDGSVILSJRHF-RRHRGVEJSA-N 0 0 604.516 4.981 1 0 KJAFRN CN(C)CCN=[S@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000101541566 562811260 /nfs/dbraw/zinc/81/12/60/562811260.db2.gz DTCGZUWLPYRQCM-PGUFJCEWSA-N 0 0 534.469 4.911 1 0 KJAFRN CCc1cc(CC[C@]2(C3CCCC3)CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1CO ZINC000101683567 562811735 /nfs/dbraw/zinc/81/17/35/562811735.db2.gz BYCGFZMXWVHJNK-GDLZYMKVSA-N 0 0 504.631 4.659 1 0 KJAFRN CCc1cc(CC[C@@]2(C3CCCC3)CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1CO ZINC000101683568 562811740 /nfs/dbraw/zinc/81/17/40/562811740.db2.gz BYCGFZMXWVHJNK-LJAQVGFWSA-N 0 0 504.631 4.659 1 0 KJAFRN CC(=O)N1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696080 562811756 /nfs/dbraw/zinc/81/17/56/562811756.db2.gz YZBFXQQMIIIEDP-UHFFFAOYSA-N 0 0 596.709 4.767 1 0 KJAFRN CN1CCN(C(=O)COc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696242 562811830 /nfs/dbraw/zinc/81/18/30/562811830.db2.gz WIOYCLNFFLSEMA-UHFFFAOYSA-N 0 0 569.683 4.817 1 0 KJAFRN CC(=O)N1CCN(C(=O)COc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696324 562811873 /nfs/dbraw/zinc/81/18/73/562811873.db2.gz UQQSJDFOCMLKMI-UHFFFAOYSA-N 0 0 597.693 4.734 1 0 KJAFRN COCC[NH2+]CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696453 562811879 /nfs/dbraw/zinc/81/18/79/562811879.db2.gz SMLDRHPEJUFSJJ-UHFFFAOYSA-N 0 0 543.645 4.839 1 0 KJAFRN COCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696513 562811965 /nfs/dbraw/zinc/81/19/65/562811965.db2.gz QVKAQYRPHCYXHC-UHFFFAOYSA-N 0 0 612.752 4.867 1 0 KJAFRN CN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696554 562811969 /nfs/dbraw/zinc/81/19/69/562811969.db2.gz DYJWAINZWLNTNQ-UHFFFAOYSA-N 0 0 568.699 4.850 1 0 KJAFRN O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696588 562811974 /nfs/dbraw/zinc/81/19/74/562811974.db2.gz HOJWWKCYEAOCFA-UHFFFAOYSA-N 0 0 555.656 4.935 1 0 KJAFRN O=c1c(=O)c(NCCNc2ccnc3cc(Cl)ccc32)c1NCCNc1ccnc2cc(Cl)ccc21 ZINC000101702650 562811998 /nfs/dbraw/zinc/81/19/98/562811998.db2.gz CUGRVLOBVZKQTL-UHFFFAOYSA-N 0 0 521.408 4.734 1 0 KJAFRN CCc1cc(CC[C@]2(C3CCCC3)CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1C(=O)NC ZINC000101707144 562811989 /nfs/dbraw/zinc/81/19/89/562811989.db2.gz ZGCFPKTVTXMTHZ-SSEXGKCCSA-N 0 0 531.657 4.526 1 0 KJAFRN CCc1cc(CC[C@@]2(C3CCCC3)CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)ccc1C(=O)NC ZINC000101707147 562811985 /nfs/dbraw/zinc/81/19/85/562811985.db2.gz ZGCFPKTVTXMTHZ-PMERELPUSA-N 0 0 531.657 4.526 1 0 KJAFRN CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCCCS(=O)(=O)[O-])c1=O ZINC000101780926 562812133 /nfs/dbraw/zinc/81/21/33/562812133.db2.gz NVUNCOGTGKUEBQ-BKFWDETESA-N 0 0 531.719 4.536 1 0 KJAFRN O=C1[C@@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000101839875 562812263 /nfs/dbraw/zinc/81/22/63/562812263.db2.gz IHYZYHICXBPJEW-ZJSXRUAMSA-N 0 0 513.351 4.594 1 0 KJAFRN O=C1[C@@H]2C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)=NO[C@@H]2C(=O)N1c1ccccc1 ZINC000101839877 562812257 /nfs/dbraw/zinc/81/22/57/562812257.db2.gz IHYZYHICXBPJEW-QPPBQGQZSA-N 0 0 513.351 4.594 1 0 KJAFRN O=C1[C@@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101839880 562812261 /nfs/dbraw/zinc/81/22/61/562812261.db2.gz IHYZYHICXBPJEW-XUZZJYLKSA-N 0 0 513.351 4.594 1 0 KJAFRN O=C1[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000101839884 562812271 /nfs/dbraw/zinc/81/22/71/562812271.db2.gz IHYZYHICXBPJEW-URXFXBBRSA-N 0 0 513.351 4.594 1 0 KJAFRN COc1ccccc1-n1c(O)c2nc3ccccc3c-2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000101877471 562812296 /nfs/dbraw/zinc/81/22/96/562812296.db2.gz RPLRDSANCHYJSV-UHFFFAOYSA-N 0 0 513.579 4.929 1 0 KJAFRN COc1ccc(-n2c(O)c3nc4ccccc4c-3nc2SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000101880253 562812300 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/nfs/dbraw/zinc/81/60/80/562816080.db2.gz ZLXJDJZUDGZVFB-RGVCCXDYSA-N 0 0 548.588 4.871 1 0 KJAFRN Cc1cc(Cl)cc(C(=O)NC(C)C)c1NC(=S)NC(=O)c1cc(Cl)nn1-c1ncccc1Cl ZINC000103201973 562816176 /nfs/dbraw/zinc/81/61/76/562816176.db2.gz WOCWDNPBJOCTNS-UHFFFAOYSA-N 0 0 525.849 4.801 1 0 KJAFRN Cc1cccc(C(=O)NCCC(C)C)c1NC(=S)NC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000103202042 562816141 /nfs/dbraw/zinc/81/61/41/562816141.db2.gz SSMHVTDSMBQDTB-UHFFFAOYSA-N 0 0 563.909 4.894 1 0 KJAFRN Cc1cc(Br)cc(C(=O)NC2CC2)c1NC(=O)NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl ZINC000103203333 562816243 /nfs/dbraw/zinc/81/62/43/562816243.db2.gz BOSFFNPBYXOYRS-UHFFFAOYSA-N 0 0 585.768 4.865 1 0 KJAFRN CCCNC(=O)c1cc(Cl)ccc1NC(=O)NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl ZINC000103203335 562816226 /nfs/dbraw/zinc/81/62/26/562816226.db2.gz VDCDNBUGNGJTJT-UHFFFAOYSA-N 0 0 529.306 4.695 1 0 KJAFRN Cc1cc(Br)cc(C(=O)NC(C)C)c1NC(=S)NC(=O)c1cc(Cl)nn1-c1ncccc1Cl ZINC000103203399 562816246 /nfs/dbraw/zinc/81/62/46/562816246.db2.gz VSECYSJRQPZRGC-UHFFFAOYSA-N 0 0 570.300 4.910 1 0 KJAFRN Cc1cccc(C(=O)NCCC(C)C)c1NC(=S)NC(=O)c1cc(Cl)nn1-c1ncccc1Cl ZINC000103203403 562816245 /nfs/dbraw/zinc/81/62/45/562816245.db2.gz CFXVCQAGTIJZJC-UHFFFAOYSA-N 0 0 519.458 4.785 1 0 KJAFRN CCNC(=O)c1cc(Cl)cc(C)c1NC(=S)NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl ZINC000103203468 562816271 /nfs/dbraw/zinc/81/62/71/562816271.db2.gz WSXJYXSXTBPJPU-UHFFFAOYSA-N 0 0 545.374 4.778 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C3=NOC[C@H]3[C@@H]2COC(=O)c2cccc(F)c2)OCO4)cc(OC)c1OC ZINC000103203855 562816273 /nfs/dbraw/zinc/81/62/73/562816273.db2.gz WSNMJZCRTODFBM-ISJBWFOZSA-N 0 0 535.524 4.549 1 0 KJAFRN CO/C=C(/C(=O)OC)c1ccccc1COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000103203895 562816248 /nfs/dbraw/zinc/81/62/48/562816248.db2.gz PGEIMFOVIDFHPS-CSJROMOCSA-N 0 0 528.561 4.852 1 0 KJAFRN CO/C=C(/C(=O)OC)c1ccccc1COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000103203898 562816265 /nfs/dbraw/zinc/81/62/65/562816265.db2.gz PGEIMFOVIDFHPS-ABBNRAPFSA-N 0 0 528.561 4.852 1 0 KJAFRN COCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1OC ZINC000103204318 562816350 /nfs/dbraw/zinc/81/63/50/562816350.db2.gz GXSBVWLSYQAEIS-UHFFFAOYSA-N 0 0 550.315 4.726 1 0 KJAFRN COCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000103204321 562816343 /nfs/dbraw/zinc/81/63/43/562816343.db2.gz REHSLBZPWZVHIW-UHFFFAOYSA-N 0 0 538.279 4.856 1 0 KJAFRN Cc1cc(Cl)cc(C(=O)NC2CC2)c1NC(=O)NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl ZINC000103204394 562816346 /nfs/dbraw/zinc/81/63/46/562816346.db2.gz JSSJFGYOQDYSMR-UHFFFAOYSA-N 0 0 541.317 4.755 1 0 KJAFRN COCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103205569 562816400 /nfs/dbraw/zinc/81/64/00/562816400.db2.gz YFACBKDYIBZQSY-UHFFFAOYSA-N 0 0 520.289 4.717 1 0 KJAFRN CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(COC(=O)c2ccccc2)nn1-c1ncccc1Cl ZINC000103205923 562816397 /nfs/dbraw/zinc/81/63/97/562816397.db2.gz XJLZPXSJERQDKU-UHFFFAOYSA-N 0 0 538.391 4.851 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)c1ccccc1Cl ZINC000103206032 562816420 /nfs/dbraw/zinc/81/64/20/562816420.db2.gz VMADULSPTFNUSW-CSKMKTBNSA-N 0 0 522.937 4.782 1 0 KJAFRN CC(=O)OCc1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NC(C)(C)C)n(-c2ncccc2Cl)n1 ZINC000103206107 562816396 /nfs/dbraw/zinc/81/63/96/562816396.db2.gz VAFHJKGNQNZYSA-UHFFFAOYSA-N 0 0 518.401 4.726 1 0 KJAFRN NS(=O)(=O)c1ccc2nc(-n3nc(C(F)(F)F)cc3-c3ccc(Br)cc3)sc2c1 ZINC000103206480 562816446 /nfs/dbraw/zinc/81/64/46/562816446.db2.gz YJDRYKUXSVVZPZ-UHFFFAOYSA-N 0 0 503.325 4.578 1 0 KJAFRN O=C1c2ccccc2C(=O)N1OCCN1NC2=C(SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@H]1c1ccccc1 ZINC000103206727 562816453 /nfs/dbraw/zinc/81/64/53/562816453.db2.gz XXLGLESIZOPZKS-VSGBNLITSA-N 0 0 599.672 4.842 1 0 KJAFRN O=C1c2ccccc2C(=O)N1OCCN1NC2=C(SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccccc1 ZINC000103206729 562816434 /nfs/dbraw/zinc/81/64/34/562816434.db2.gz XXLGLESIZOPZKS-WUFINQPMSA-N 0 0 599.672 4.842 1 0 KJAFRN O=C1c2ccccc2C(=O)N1OCCN1NC2=C(SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@H]1c1ccccc1 ZINC000103206732 562816455 /nfs/dbraw/zinc/81/64/55/562816455.db2.gz XXLGLESIZOPZKS-IZLXSDGUSA-N 0 0 599.672 4.842 1 0 KJAFRN O=C1c2ccccc2C(=O)N1OCCN1NC2=C(SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccccc1 ZINC000103206736 562816450 /nfs/dbraw/zinc/81/64/50/562816450.db2.gz XXLGLESIZOPZKS-NSOVKSMOSA-N 0 0 599.672 4.842 1 0 KJAFRN O=C1c2ccccc2C(=O)N1OCCN1NC2=C(SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@H]1c1ccc(F)cc1 ZINC000103206738 562816433 /nfs/dbraw/zinc/81/64/33/562816433.db2.gz MBDNKDOICSEAER-IZLXSDGUSA-N 0 0 617.662 4.981 1 0 KJAFRN O=C1c2ccccc2C(=O)N1OCCN1NC2=C(SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccc(F)cc1 ZINC000103206742 562816437 /nfs/dbraw/zinc/81/64/37/562816437.db2.gz MBDNKDOICSEAER-NSOVKSMOSA-N 0 0 617.662 4.981 1 0 KJAFRN COCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 ZINC000103206925 562816435 /nfs/dbraw/zinc/81/64/35/562816435.db2.gz SYMAZXOGESAMNU-UHFFFAOYSA-N 0 0 550.315 4.726 1 0 KJAFRN COCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000103206927 562816439 /nfs/dbraw/zinc/81/64/39/562816439.db2.gz AWBRTSDVBKAVMA-UHFFFAOYSA-N 0 0 538.279 4.856 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)/C=C/c1ccccc1 ZINC000103207203 562816471 /nfs/dbraw/zinc/81/64/71/562816471.db2.gz ADXWXPBFUVJSJC-FBCXCIRPSA-N 0 0 514.530 4.529 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)c1ccc(Cl)cc1 ZINC000103207281 562816488 /nfs/dbraw/zinc/81/64/88/562816488.db2.gz LGVPBLXYPCEWOC-AJHZIAPWSA-N 0 0 522.937 4.782 1 0 KJAFRN CC(C)(CS(C)(=O)=O)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000103208179 562816539 /nfs/dbraw/zinc/81/65/39/562816539.db2.gz XAKHRNKEFZWSKE-UHFFFAOYSA-N 0 0 602.800 4.769 1 0 KJAFRN CCCCc1nnc(NCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103209980 562816657 /nfs/dbraw/zinc/81/66/57/562816657.db2.gz KRPIVSIDVREHGT-UHFFFAOYSA-N 0 0 507.602 4.714 1 0 KJAFRN CCCCc1nnc(NCc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103211624 562816735 /nfs/dbraw/zinc/81/67/35/562816735.db2.gz GDVVTVVKMMNPOZ-UHFFFAOYSA-N 0 0 537.628 4.722 1 0 KJAFRN CCCCc1nnc(OCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103213254 562816835 /nfs/dbraw/zinc/81/68/35/562816835.db2.gz ZRPWJOOTQJAZGJ-UHFFFAOYSA-N 0 0 508.586 4.680 1 0 KJAFRN CCCCc1nnc(OCCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103213258 562816821 /nfs/dbraw/zinc/81/68/21/562816821.db2.gz ANMOOVWZHUIRCD-UHFFFAOYSA-N 0 0 522.613 4.723 1 0 KJAFRN COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1cnc(SC)n1Nc1ccccc1 ZINC000103213634 562816895 /nfs/dbraw/zinc/81/68/95/562816895.db2.gz POILPXATESXRQC-DEOSSOPVSA-N 0 0 504.612 4.631 1 0 KJAFRN COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1cnc(SC)n1Nc1ccccc1 ZINC000103213636 562816879 /nfs/dbraw/zinc/81/68/79/562816879.db2.gz POILPXATESXRQC-XMMPIXPASA-N 0 0 504.612 4.631 1 0 KJAFRN COc1cc(/C=C2\CCC[C@@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000103213943 562816868 /nfs/dbraw/zinc/81/68/68/562816868.db2.gz QJQRVOITZZPHFB-IQJHHJRRSA-N 0 0 506.555 4.697 1 0 KJAFRN COc1cc(/C=C2\CCC[C@@H]3C2=NN(C(C)=O)[C@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000103213946 562816862 /nfs/dbraw/zinc/81/68/62/562816862.db2.gz QJQRVOITZZPHFB-RVXRDZDPSA-N 0 0 506.555 4.697 1 0 KJAFRN COc1cc(/C=C2\CCC[C@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000103213948 562816894 /nfs/dbraw/zinc/81/68/94/562816894.db2.gz QJQRVOITZZPHFB-BZOGSTDHSA-N 0 0 506.555 4.697 1 0 KJAFRN COc1cc(/C=C2\CCC[C@H]3C2=NN(C(C)=O)[C@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000103213951 562816878 /nfs/dbraw/zinc/81/68/78/562816878.db2.gz QJQRVOITZZPHFB-GHLAKKNDSA-N 0 0 506.555 4.697 1 0 KJAFRN CCCCc1nnc(SCc2ccccc2-c2nn[nH]n2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103214561 562816941 /nfs/dbraw/zinc/81/69/41/562816941.db2.gz HCVQVBOACLGIHJ-UHFFFAOYSA-N 0 0 592.693 4.574 1 0 KJAFRN Cc1cc(Cl)cc(C(=O)NC2CC2)c1NC(=S)NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl ZINC000103215303 562817056 /nfs/dbraw/zinc/81/70/56/562817056.db2.gz JPXQCEHLIYYZOQ-UHFFFAOYSA-N 0 0 557.385 4.920 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccccc3)[C@H]3COC(=O)[C@@]32Cl)OCO4)cc(OC)c1OC ZINC000103216126 562817090 /nfs/dbraw/zinc/81/70/90/562817090.db2.gz XVGPQPYUVDTDBH-CLIKSALWSA-N 0 0 538.980 4.995 1 0 KJAFRN CCN1CCN(c2nc(Oc3cccc4cccnc43)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)CC1 ZINC000103216505 562817127 /nfs/dbraw/zinc/81/71/27/562817127.db2.gz HPYIRSBFJQGNTK-UHFFFAOYSA-N 0 0 580.630 4.662 1 0 KJAFRN CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C(=O)NC2CCCCC2)nn1-c1ncccc1Cl ZINC000103218096 562817259 /nfs/dbraw/zinc/81/72/59/562817259.db2.gz GRSVLADEXRLHGR-UHFFFAOYSA-N 0 0 529.428 4.557 1 0 KJAFRN CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C(=O)Nc2ccccc2)nn1-c1ncccc1Cl ZINC000103218099 562817256 /nfs/dbraw/zinc/81/72/56/562817256.db2.gz GMFUCVAMZGYKFY-UHFFFAOYSA-N 0 0 523.380 4.747 1 0 KJAFRN CC1=C(C(=O)OCCc2ccccc2)C(c2[nH]cnc2Cl)C(C(=O)OCCc2ccccc2)=C(C)N1 ZINC000103218762 562817319 /nfs/dbraw/zinc/81/73/19/562817319.db2.gz VBKGBQCHDLHFDD-UHFFFAOYSA-N 0 0 506.002 4.870 1 0 KJAFRN CCCCn1cc(CN(Cc2cn(CCCC)nn2)N2C(=O)c3cccc4c(Br)ccc(c43)C2=O)nn1 ZINC000103224127 562817560 /nfs/dbraw/zinc/81/75/60/562817560.db2.gz KJMDSOTWZIIBGU-UHFFFAOYSA-N 0 0 565.476 4.599 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224406 562817541 /nfs/dbraw/zinc/81/75/41/562817541.db2.gz RXGVOKRXYLZGLO-UHFFFAOYSA-N 0 0 593.074 4.932 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224408 562817533 /nfs/dbraw/zinc/81/75/33/562817533.db2.gz QCXBFZVBKFNEIG-UHFFFAOYSA-N 0 0 593.074 4.932 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224411 562817550 /nfs/dbraw/zinc/81/75/50/562817550.db2.gz WGGRREOWNDLXAZ-UHFFFAOYSA-N 0 0 593.074 4.932 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc(C(F)(F)F)c2)cc1Cl ZINC000103224420 562817538 /nfs/dbraw/zinc/81/75/38/562817538.db2.gz JWZXMNMNQPNTAV-UHFFFAOYSA-N 0 0 607.101 4.610 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103224426 562817552 /nfs/dbraw/zinc/81/75/52/562817552.db2.gz BHMMAACOSZZPLY-UHFFFAOYSA-N 0 0 593.074 4.932 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103224430 562817531 /nfs/dbraw/zinc/81/75/31/562817531.db2.gz MIOOFSONBIXJOJ-UHFFFAOYSA-N 0 0 593.074 4.932 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103224433 562817513 /nfs/dbraw/zinc/81/75/13/562817513.db2.gz CSBVUXAGUJLEQD-UHFFFAOYSA-N 0 0 593.074 4.932 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103224438 562817528 /nfs/dbraw/zinc/81/75/28/562817528.db2.gz IRKHSVUCBDBFTJ-UHFFFAOYSA-N 0 0 607.101 4.610 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(N)N=Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc32)cc1Cl ZINC000103224453 562817564 /nfs/dbraw/zinc/81/75/64/562817564.db2.gz XQTXBPVEHHMGNO-UHFFFAOYSA-N 0 0 590.152 4.571 1 0 KJAFRN Cc1cc(S(=O)(=O)NC(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc32)cc1Cl ZINC000103224456 562817588 /nfs/dbraw/zinc/81/75/88/562817588.db2.gz YUCOUDJYURWQGQ-UHFFFAOYSA-N 0 0 589.164 4.744 1 0 KJAFRN CCC[C@H](OC(=O)CCCCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225188 562817685 /nfs/dbraw/zinc/81/76/85/562817685.db2.gz FAAULJJUVCIFNF-ZDUSSCGKSA-N 0 0 513.179 4.689 1 0 KJAFRN CCC[C@@H](OC(=O)CCCCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225191 562817687 /nfs/dbraw/zinc/81/76/87/562817687.db2.gz FAAULJJUVCIFNF-CYBMUJFWSA-N 0 0 513.179 4.689 1 0 KJAFRN CCC[C@H](SC(=O)CCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225208 562817688 /nfs/dbraw/zinc/81/76/88/562817688.db2.gz OZTBZVDYWVTXRY-LBPRGKRZSA-N 0 0 501.193 4.626 1 0 KJAFRN CCC[C@@H](SC(=O)CCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225209 562817686 /nfs/dbraw/zinc/81/76/86/562817686.db2.gz OZTBZVDYWVTXRY-GFCCVEGCSA-N 0 0 501.193 4.626 1 0 KJAFRN CSc1ccc(/C=C2\c3ccc(F)cc3C(CC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])=C2C)cc1 ZINC000103225374 562817731 /nfs/dbraw/zinc/81/77/31/562817731.db2.gz PDZYGCINLLGEAG-UKWGHVSLSA-N 0 0 504.492 4.594 1 0 KJAFRN CCC(CC)C(=O)Nc1ccc(N2CCN([C@H](C(=O)N(CC)CC)c3ccc(OC)cc3)CC2)c(F)c1 ZINC000103226334 562817828 /nfs/dbraw/zinc/81/78/28/562817828.db2.gz WZXJEUGQWKMQDI-MHZLTWQESA-N 0 0 512.670 4.941 1 0 KJAFRN CCC(CC)C(=O)Nc1ccc(N2CCN([C@@H](C(=O)N(CC)CC)c3ccc(OC)cc3)CC2)c(F)c1 ZINC000103226337 562817826 /nfs/dbraw/zinc/81/78/26/562817826.db2.gz WZXJEUGQWKMQDI-HHHXNRCGSA-N 0 0 512.670 4.941 1 0 KJAFRN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 ZINC000103227779 562817949 /nfs/dbraw/zinc/81/79/49/562817949.db2.gz FLXYUGNZQXUHDT-AREMUKBSSA-N 0 0 522.625 4.806 1 0 KJAFRN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 ZINC000103227781 562817968 /nfs/dbraw/zinc/81/79/68/562817968.db2.gz FLXYUGNZQXUHDT-SANMLTNESA-N 0 0 522.625 4.806 1 0 KJAFRN CCC(CC)C(=O)Nc1ccc(N2CCN([C@H](C(=O)N(CC)CC)c3cccc(OC)c3)CC2)c(F)c1 ZINC000103227860 562817943 /nfs/dbraw/zinc/81/79/43/562817943.db2.gz NPSSUDNJRFRFLZ-MHZLTWQESA-N 0 0 512.670 4.941 1 0 KJAFRN CCC(CC)C(=O)Nc1ccc(N2CCN([C@@H](C(=O)N(CC)CC)c3cccc(OC)c3)CC2)c(F)c1 ZINC000103227862 562817972 /nfs/dbraw/zinc/81/79/72/562817972.db2.gz NPSSUDNJRFRFLZ-HHHXNRCGSA-N 0 0 512.670 4.941 1 0 KJAFRN COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCOCC4)cc3)cc(OC)c2OC)ccc1C(C)=O ZINC000103228615 562817989 /nfs/dbraw/zinc/81/79/89/562817989.db2.gz QTYYAYDYAFXUFL-UHFFFAOYSA-N 0 0 549.624 4.937 1 0 KJAFRN COc1cc(/C=C2\OC(=O)C(Br)=C2Br)ccc1OCc1nc(C)c(C)nc1C ZINC000103229253 562818102 /nfs/dbraw/zinc/81/81/02/562818102.db2.gz AMJIFQUYNVDTFW-IUXPMGMMSA-N 0 0 510.182 4.889 1 0 KJAFRN O=C(OCCN1CCOCC1)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229649 562818047 /nfs/dbraw/zinc/81/80/47/562818047.db2.gz KWPZKPBXFUWSCV-UHFFFAOYSA-N 0 0 590.011 4.949 1 0 KJAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1 ZINC000103230979 562818262 /nfs/dbraw/zinc/81/82/62/562818262.db2.gz PDXOHOMNGKKBMN-UHFFFAOYSA-N 0 0 503.521 4.542 1 0 KJAFRN Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000103231393 562818282 /nfs/dbraw/zinc/81/82/82/562818282.db2.gz WKMILKMUYCFEGA-FVQHAEBGSA-N 0 0 507.037 4.759 1 0 KJAFRN Cc1ccc(NC(=O)c2ccc(CN3CCN(CCF)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000103231985 562818306 /nfs/dbraw/zinc/81/83/06/562818306.db2.gz IJJBQXDUBAQHKQ-UHFFFAOYSA-N 0 0 525.632 4.930 1 0 KJAFRN NC(=O)c1c(F)ccc(O[C@@H](CO)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232902 562818388 /nfs/dbraw/zinc/81/83/88/562818388.db2.gz KFGRVIZTDZWTEP-LBPRGKRZSA-N 0 0 507.209 4.612 1 0 KJAFRN NC(=O)c1c(F)ccc(O[C@H](CO)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232904 562818385 /nfs/dbraw/zinc/81/83/85/562818385.db2.gz KFGRVIZTDZWTEP-GFCCVEGCSA-N 0 0 507.209 4.612 1 0 KJAFRN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(CO)c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1 ZINC000103233079 562818421 /nfs/dbraw/zinc/81/84/21/562818421.db2.gz WCXRTEQTXGUQMQ-VWLOTQADSA-N 0 0 524.495 4.633 1 0 KJAFRN NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)c(I)o2)c1F ZINC000103234472 562818573 /nfs/dbraw/zinc/81/85/73/562818573.db2.gz CKFPXPMPOHEKTH-UHFFFAOYSA-N 0 0 540.182 4.801 1 0 KJAFRN CC(C)(C)C(=O)N(C/C=C/c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)Cc1cc(F)cc(F)c1 ZINC000103234791 562818688 /nfs/dbraw/zinc/81/86/88/562818688.db2.gz BMINCMUOYCLAEZ-MRDBIULHSA-N 0 0 502.565 4.832 1 0 KJAFRN CC(C)(C(=O)N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103235184 562818697 /nfs/dbraw/zinc/81/86/97/562818697.db2.gz JBHLDFWFKHUKBN-LJQANCHMSA-N 0 0 502.455 4.718 1 0 KJAFRN CC(C)(C(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103235186 562818634 /nfs/dbraw/zinc/81/86/34/562818634.db2.gz JBHLDFWFKHUKBN-IBGZPJMESA-N 0 0 502.455 4.718 1 0 KJAFRN CN(CCN1CCOCC1)C(=O)[C@@H](NC(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000103235188 562818662 /nfs/dbraw/zinc/81/86/62/562818662.db2.gz HGNXVSBHANEPQF-QFIPXVFZSA-N 0 0 559.551 4.650 1 0 KJAFRN CC(C)(C(=O)N[C@H](C(=O)NCCCN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103235191 562818640 /nfs/dbraw/zinc/81/86/40/562818640.db2.gz FHXFWIZTTDFYNU-QFIPXVFZSA-N 0 0 559.551 4.698 1 0 KJAFRN CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 ZINC000103235203 562818644 /nfs/dbraw/zinc/81/86/44/562818644.db2.gz VMAVXXLBJKICJP-QFIPXVFZSA-N 0 0 559.551 4.650 1 0 KJAFRN C[C@H](c1cc(F)cc(F)c1)N(CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C ZINC000103235591 562818715 /nfs/dbraw/zinc/81/87/15/562818715.db2.gz AMZSGFAFJKUHPX-BJLXPSRBSA-N 0 0 532.591 4.923 1 0 KJAFRN Fc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2N2CCOCC2)cc1 ZINC000103235671 562818699 /nfs/dbraw/zinc/81/86/99/562818699.db2.gz OQNXCPKEFDUABP-UHFFFAOYSA-N 0 0 501.562 4.960 1 0 KJAFRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 ZINC000103236311 562818840 /nfs/dbraw/zinc/81/88/40/562818840.db2.gz FCUYFFNCMDJQQQ-XFBYRDQZSA-N 0 0 560.098 4.548 1 0 KJAFRN O=C(NCCCCNc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 ZINC000103236314 562818863 /nfs/dbraw/zinc/81/88/63/562818863.db2.gz ZAIMJQZUOSLZTI-ZHDDGHJISA-N 0 0 574.125 4.938 1 0 KJAFRN Cc1ccc(N2C(=O)[C@@H](NC(=O)C(=O)NCCCNc3ccnc4cc(Cl)ccc43)[C@H]2/C=C/c2ccccc2)cc1 ZINC000103236323 562818848 /nfs/dbraw/zinc/81/88/48/562818848.db2.gz CBQKEDIYAQWGLE-OMJCOREQSA-N 0 0 568.077 4.728 1 0 KJAFRN Cc1cc2c(c(Oc3cc(F)cc(NS(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)N(C(C)C)C2=O ZINC000103236864 562818907 /nfs/dbraw/zinc/81/89/07/562818907.db2.gz RWXKSLAZBIBOMO-UHFFFAOYSA-N 0 0 503.939 4.780 1 0 KJAFRN Cc1cc2c(c(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3F)n1)C(=O)N(C(C)C)C2=O ZINC000103236866 562818931 /nfs/dbraw/zinc/81/89/31/562818931.db2.gz IWNGVKCDWVZWDC-UHFFFAOYSA-N 0 0 503.939 4.780 1 0 KJAFRN Cc1cc2c(c(Oc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3F)n1)C(=O)N(C(C)C)C2=O ZINC000103236903 562818917 /nfs/dbraw/zinc/81/89/17/562818917.db2.gz ZMXPRLZLGHHSKI-UHFFFAOYSA-N 0 0 503.939 4.780 1 0 KJAFRN O=C1c2cc(C3CC3)nc(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C(=O)N1C1CC1 ZINC000103236925 562818900 /nfs/dbraw/zinc/81/89/00/562818900.db2.gz CNSGCFMMOZXTLD-UHFFFAOYSA-N 0 0 509.971 4.964 1 0 KJAFRN Cc1cc2c(c(Sc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)N(C(C)C)C2=O ZINC000103236948 562818895 /nfs/dbraw/zinc/81/88/95/562818895.db2.gz RIZKCWAKTJGVKW-UHFFFAOYSA-N 0 0 502.017 5.000 1 0 KJAFRN CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)c1c(C)cccc1NCc1ccccc1)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000103238475 562819164 /nfs/dbraw/zinc/81/91/64/562819164.db2.gz FFSAGCGDCQPIAA-VNEGOSELSA-N 0 0 571.714 4.600 1 0 KJAFRN O=S(=O)(c1cccs1)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@H](Cc2cccc(O)c2)C1 ZINC000103238869 562819212 /nfs/dbraw/zinc/81/92/12/562819212.db2.gz OBFLBZWBONPHJO-LJQANCHMSA-N 0 0 580.572 4.888 1 0 KJAFRN O=S(=O)(c1cccs1)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@H](Cc2cccc(O)c2)C1 ZINC000103238873 562819226 /nfs/dbraw/zinc/81/92/26/562819226.db2.gz OBFLBZWBONPHJO-IBGZPJMESA-N 0 0 580.572 4.888 1 0 KJAFRN O=S(=O)(c1cccs1)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@H](Cc2ccc(O)cc2)C1 ZINC000103238877 562819220 /nfs/dbraw/zinc/81/92/20/562819220.db2.gz SBSZTSRQMMKWHY-LJQANCHMSA-N 0 0 580.572 4.888 1 0 KJAFRN O=S(=O)(c1cccs1)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@H](Cc2ccncc2)C1 ZINC000103238896 562819189 /nfs/dbraw/zinc/81/91/89/562819189.db2.gz PRXHZZRWPPUJSP-LJQANCHMSA-N 0 0 565.561 4.578 1 0 KJAFRN O=S(=O)(c1cccs1)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@H](CC2CCOCC2)C1 ZINC000103238902 562819214 /nfs/dbraw/zinc/81/92/14/562819214.db2.gz ZIIICKIMOSZOAK-IBGZPJMESA-N 0 0 572.593 4.757 1 0 KJAFRN CC(C)[C@H]1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000103238935 562819232 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ZINC000103241004 562819547 /nfs/dbraw/zinc/81/95/47/562819547.db2.gz JSAVQZKLVBVNMF-JTSJOTPCSA-N 0 0 519.605 4.880 1 0 KJAFRN O=C(Nc1ccc(Oc2cc(On3nnc4ccccc43)ncn2)c(F)c1)c1cccn(-c2ccc(F)cc2F)c1=O ZINC000103241254 562819543 /nfs/dbraw/zinc/81/95/43/562819543.db2.gz WFNHLFNLHLBTET-UHFFFAOYSA-N 0 0 571.475 4.676 1 0 KJAFRN O=C(Nc1ccc(Oc2cc(On3nnc4ccccc43)ncn2)c(F)c1)c1cccn(-c2ccc(F)c(F)c2)c1=O ZINC000103241256 562819544 /nfs/dbraw/zinc/81/95/44/562819544.db2.gz XNGYXYWEWPNIJR-UHFFFAOYSA-N 0 0 571.475 4.676 1 0 KJAFRN Cc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(Oc3cc(On4nnc5ccccc54)ncn3)c(F)c2)c1=O ZINC000103241259 562819555 /nfs/dbraw/zinc/81/95/55/562819555.db2.gz AVSGCNXHWLSSHP-UHFFFAOYSA-N 0 0 567.512 4.846 1 0 KJAFRN O=C(Nc1ccc(Oc2cc(On3nnc4ccccc43)ncn2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O ZINC000103241262 562819579 /nfs/dbraw/zinc/81/95/79/562819579.db2.gz KDZNVABWXFXSLE-UHFFFAOYSA-N 0 0 553.485 4.537 1 0 KJAFRN COc1ccc(-n2cccc(C(=O)Nc3ccc(Oc4cc(On5nnc6ccccc65)ncn4)c(F)c3)c2=O)c(F)c1 ZINC000103241265 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KJAFRN COc1cc([C@H](C)C(=O)NCc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)ccc1NS(C)(=O)=O ZINC000113487389 562826535 /nfs/dbraw/zinc/82/65/35/562826535.db2.gz VPVQGKJHURIMIH-INIZCTEOSA-N 0 0 519.067 4.623 1 0 KJAFRN C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000113487499 562826545 /nfs/dbraw/zinc/82/65/45/562826545.db2.gz ZIBSWPPDDLFJFV-OAHLLOKOSA-N 0 0 507.031 4.754 1 0 KJAFRN C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000113487501 562826568 /nfs/dbraw/zinc/82/65/68/562826568.db2.gz ZIBSWPPDDLFJFV-HNNXBMFYSA-N 0 0 507.031 4.754 1 0 KJAFRN C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000113488478 562826532 /nfs/dbraw/zinc/82/65/32/562826532.db2.gz UDDMRDVWFRNVPI-CQSZACIVSA-N 0 0 525.021 4.893 1 0 KJAFRN C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000113488480 562826575 /nfs/dbraw/zinc/82/65/75/562826575.db2.gz UDDMRDVWFRNVPI-AWEZNQCLSA-N 0 0 525.021 4.893 1 0 KJAFRN C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000113489052 562826566 /nfs/dbraw/zinc/82/65/66/562826566.db2.gz GEBGGCSWOMBQFJ-QGZVFWFLSA-N 0 0 533.069 4.922 1 0 KJAFRN C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000113489054 562826558 /nfs/dbraw/zinc/82/65/58/562826558.db2.gz GEBGGCSWOMBQFJ-KRWDZBQOSA-N 0 0 533.069 4.922 1 0 KJAFRN CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1F ZINC000113517607 562826603 /nfs/dbraw/zinc/82/66/03/562826603.db2.gz GCLDAKXEOCSRCQ-UHFFFAOYSA-N 0 0 503.408 4.979 1 0 KJAFRN CN1CCOc2cc(S(=O)(=O)N3CCN(C(=O)c4cccc(-c5ccc(Oc6ccc(F)cc6)cc5)n4)CC3)ccc21 ZINC000113675933 562826684 /nfs/dbraw/zinc/82/66/84/562826684.db2.gz JVGWOOSTHQTXNO-UHFFFAOYSA-N 0 0 588.661 4.655 1 0 KJAFRN Nc1n[nH]c2cc(-c3[nH]c([C@H](Cc4ccccc4)NC(=O)c4ccc5c(N)noc5c4)nc3Cl)ccc12 ZINC000113721412 562826688 /nfs/dbraw/zinc/82/66/88/562826688.db2.gz PKSAIJQAOZGOKV-IBGZPJMESA-N 0 0 512.961 4.626 1 0 KJAFRN CCOn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000113827462 562826729 /nfs/dbraw/zinc/82/67/29/562826729.db2.gz UGYLMEUHQNXYJB-HNNXBMFYSA-N 0 0 520.939 4.736 1 0 KJAFRN CCOn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)c1ccc(-c3cnco3)cc1)C2 ZINC000113827496 562826766 /nfs/dbraw/zinc/82/67/66/562826766.db2.gz ADBZYMOKGJVIQN-KRWDZBQOSA-N 0 0 553.541 4.737 1 0 KJAFRN COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1cc3ccccc3cn1)CC2 ZINC000113827787 562826762 /nfs/dbraw/zinc/82/67/62/562826762.db2.gz BYPRTZBNLFRCBD-VWLOTQADSA-N 0 0 518.017 4.511 1 0 KJAFRN COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000113829114 562826768 /nfs/dbraw/zinc/82/67/68/562826768.db2.gz OAKGSJNBUNMMMG-AWEZNQCLSA-N 0 0 556.463 4.591 1 0 KJAFRN CCOn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)c1cc3cccnc3s1)C2 ZINC000113829117 562826777 /nfs/dbraw/zinc/82/67/77/562826777.db2.gz HHJIRLUNLPSAJO-HNNXBMFYSA-N 0 0 543.571 4.692 1 0 KJAFRN COn1c(=O)c2c(nc1N1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000113829277 562826806 /nfs/dbraw/zinc/82/68/06/562826806.db2.gz LNQGWRYOWDRACP-JOCHJYFZSA-N 0 0 532.950 4.514 1 0 KJAFRN COn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000113831641 562826790 /nfs/dbraw/zinc/82/67/90/562826790.db2.gz NFKQBFPTPKKCGZ-INIZCTEOSA-N 0 0 534.966 4.665 1 0 KJAFRN COn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)CSc1ccc(Cl)cc1)C2 ZINC000113831657 562826781 /nfs/dbraw/zinc/82/67/81/562826781.db2.gz NRCGHCDQRHLLQE-HNNXBMFYSA-N 0 0 553.006 4.824 1 0 KJAFRN COn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)c1ccc(Cl)c(C)c1)C2 ZINC000113831675 562826800 /nfs/dbraw/zinc/82/68/00/562826800.db2.gz YUDUDNNKQJKTLW-HNNXBMFYSA-N 0 0 520.939 4.654 1 0 KJAFRN COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000113831804 562826799 /nfs/dbraw/zinc/82/67/99/562826799.db2.gz DCCOCVJECZDOOW-QFIPXVFZSA-N 0 0 501.414 4.616 1 0 KJAFRN COn1c(N[C@@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000113831807 562826805 /nfs/dbraw/zinc/82/68/05/562826805.db2.gz DCCOCVJECZDOOW-JOCHJYFZSA-N 0 0 501.414 4.616 1 0 KJAFRN COn1c(=O)c2c(nc1N1CCC[C@H]1c1ccc(C(F)(F)F)cc1)CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000113831876 562826785 /nfs/dbraw/zinc/82/67/85/562826785.db2.gz LNQGWRYOWDRACP-QFIPXVFZSA-N 0 0 532.950 4.514 1 0 KJAFRN C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)[C@@H](O)N(c1cccnc1)C3=O ZINC000113837217 562826871 /nfs/dbraw/zinc/82/68/71/562826871.db2.gz LKQSELSKVLDVHG-BIXPNRAVSA-N 0 0 564.499 4.564 1 0 KJAFRN C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)[C@H](O)N(c1cccnc1)C3=O ZINC000113837225 562826868 /nfs/dbraw/zinc/82/68/68/562826868.db2.gz LKQSELSKVLDVHG-JWNZJDHWSA-N 0 0 564.499 4.564 1 0 KJAFRN COn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)/C=C/c1ccc(Cl)cc1)C2 ZINC000113854335 562826874 /nfs/dbraw/zinc/82/68/74/562826874.db2.gz AWAUQRUBWDSGPH-SRXKAHCNSA-N 0 0 532.950 4.745 1 0 KJAFRN COc1ccc2c(c1)nc(CCN1C(=O)c3cccc(OC(C)C)c3C1=O)n(-c1ccc3cc[nH]c3c1)c2=O ZINC000113886232 562826922 /nfs/dbraw/zinc/82/69/22/562826922.db2.gz QEVGHBFOXHSDPB-UHFFFAOYSA-N 0 0 522.561 4.502 1 0 KJAFRN O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N1CCN(CC[NH+]2CCCC2)C(=O)C1)C1CC1 ZINC000114038539 562827334 /nfs/dbraw/zinc/82/73/34/562827334.db2.gz HUHMEPJCOTYIEL-UHFFFAOYSA-N 0 0 537.035 4.737 1 0 KJAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3[nH]ccc32)CCO1 ZINC000114098990 562827565 /nfs/dbraw/zinc/82/75/65/562827565.db2.gz FMADOLPDJYWGHQ-SANMLTNESA-N 0 0 512.050 4.868 1 0 KJAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3[nH]ccc32)CCO1 ZINC000114098992 562827643 /nfs/dbraw/zinc/82/76/43/562827643.db2.gz FMADOLPDJYWGHQ-AREMUKBSSA-N 0 0 512.050 4.868 1 0 KJAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3c2ccn3C)CCO1 ZINC000114099696 562827598 /nfs/dbraw/zinc/82/75/98/562827598.db2.gz IVNZTQXCGKCINB-MHZLTWQESA-N 0 0 526.077 4.879 1 0 KJAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3c2ccn3C)CCO1 ZINC000114099698 562827595 /nfs/dbraw/zinc/82/75/95/562827595.db2.gz IVNZTQXCGKCINB-HHHXNRCGSA-N 0 0 526.077 4.879 1 0 KJAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3cc[nH]c32)CCO1 ZINC000114100612 562827687 /nfs/dbraw/zinc/82/76/87/562827687.db2.gz MMDJGANIWNFLIU-VWLOTQADSA-N 0 0 512.050 4.868 1 0 KJAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3cc[nH]c32)CCO1 ZINC000114100613 562827677 /nfs/dbraw/zinc/82/76/77/562827677.db2.gz MMDJGANIWNFLIU-RUZDIDTESA-N 0 0 512.050 4.868 1 0 KJAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3ccn(C)c32)CCO1 ZINC000114101015 562827807 /nfs/dbraw/zinc/82/78/07/562827807.db2.gz JMCWORMNPFNOEU-SANMLTNESA-N 0 0 526.077 4.879 1 0 KJAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3ccn(C)c32)CCO1 ZINC000114101016 562827801 /nfs/dbraw/zinc/82/78/01/562827801.db2.gz JMCWORMNPFNOEU-AREMUKBSSA-N 0 0 526.077 4.879 1 0 KJAFRN CN1CCN(C(=O)N2Cc3c(NC(=O)c4cc5ccccc5s4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000114182237 562827849 /nfs/dbraw/zinc/82/78/49/562827849.db2.gz JOALDAKWNSMEOV-NRFANRHFSA-N 0 0 528.682 4.906 1 0 KJAFRN COC(=O)Nc1ccc2c(c1)NC(=O)CC[C@H](C)CC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 ZINC000114222707 562827925 /nfs/dbraw/zinc/82/79/25/562827925.db2.gz IVOIKCXCASZUKR-SCRMUHQXSA-N 0 0 604.071 4.903 1 0 KJAFRN COC(=O)Nc1ccc2c(c1)NC(=O)CC[C@@H](C)CC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 ZINC000114222712 562827947 /nfs/dbraw/zinc/82/79/47/562827947.db2.gz IVOIKCXCASZUKR-RYYRUTPZSA-N 0 0 604.071 4.903 1 0 KJAFRN O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)N[C@H]1C/C=C/COC(=O)Nc2ccccc2-c2[nH]c1nc2Cl ZINC000114228303 562827919 /nfs/dbraw/zinc/82/79/19/562827919.db2.gz UZMZWJLRZFZNBN-IPKRXBEOSA-N 0 0 551.394 4.738 1 0 KJAFRN COc1cc(Cl)c(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1OC ZINC000114344409 562827971 /nfs/dbraw/zinc/82/79/71/562827971.db2.gz GCEZCCQEIFNXIL-CQSZACIVSA-N 0 0 505.962 4.825 1 0 KJAFRN NC(=O)c1cc(NC(=O)c2ccncc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12 ZINC000114344418 562827972 /nfs/dbraw/zinc/82/79/72/562827972.db2.gz OSLOTHHIYWJTNJ-UHFFFAOYSA-N 0 0 500.868 4.660 1 0 KJAFRN NC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12 ZINC000114344869 562827967 /nfs/dbraw/zinc/82/79/67/562827967.db2.gz SQWKVRCMSVVAMH-UHFFFAOYSA-N 0 0 535.935 4.814 1 0 KJAFRN COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114347700 562828079 /nfs/dbraw/zinc/82/80/79/562828079.db2.gz SZCJQZJURBSEEN-JOCHJYFZSA-N 0 0 534.414 4.933 1 0 KJAFRN COCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114347703 562828054 /nfs/dbraw/zinc/82/80/54/562828054.db2.gz SZCJQZJURBSEEN-QFIPXVFZSA-N 0 0 534.414 4.933 1 0 KJAFRN COC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114347967 562828082 /nfs/dbraw/zinc/82/80/82/562828082.db2.gz GEVONFZNIWQHMG-OAQYLSRUSA-N 0 0 520.387 4.543 1 0 KJAFRN COC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114347969 562828061 /nfs/dbraw/zinc/82/80/61/562828061.db2.gz GEVONFZNIWQHMG-NRFANRHFSA-N 0 0 520.387 4.543 1 0 KJAFRN CCOc1cc(C[NH+]2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(-n2cc(C)cn2)cc1C ZINC000114359120 562828151 /nfs/dbraw/zinc/82/81/51/562828151.db2.gz KVQIWNINPGXKDV-UHFFFAOYSA-N 0 0 504.587 4.577 1 0 KJAFRN COc1ccc2c(C[NH+]3CCC4(CN(c5ccc(C(=O)[O-])cc5)C(=O)O4)CC3)nn(-c3ccccc3)c2c1 ZINC000114361494 562828155 /nfs/dbraw/zinc/82/81/55/562828155.db2.gz SENXCWVGCSJKKY-UHFFFAOYSA-N 0 0 512.566 4.724 1 0 KJAFRN COc1cccc(-c2c3c(c(OC)c4c2CCN(C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)c1 ZINC000114381723 562828221 /nfs/dbraw/zinc/82/82/21/562828221.db2.gz GMJGQGLGDHVMPI-RPWUZVMVSA-N 0 0 519.550 4.557 1 0 KJAFRN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(OC)c3c(c(-c4ccc(C)cc4)c2CCN1C)OCO3 ZINC000114383234 562828209 /nfs/dbraw/zinc/82/82/09/562828209.db2.gz JTHRHOZIDJQLSO-RPWUZVMVSA-N 0 0 503.551 4.857 1 0 KJAFRN CC(C)(CO)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)cc2)no1 ZINC000114550873 562828314 /nfs/dbraw/zinc/82/83/14/562828314.db2.gz BDDKOCILLICHON-UHFFFAOYSA-N 0 0 576.679 4.829 1 0 KJAFRN COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OCCN1C(=O)c2ccccc2C1=O ZINC000114590954 562828336 /nfs/dbraw/zinc/82/83/36/562828336.db2.gz AAWDHYKCWFAESQ-UHFFFAOYSA-N 0 0 514.559 4.733 1 0 KJAFRN O=S(=O)(NCCCCN1CCN(c2noc3ccccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114599226 562828337 /nfs/dbraw/zinc/82/83/37/562828337.db2.gz HVNIAEADLPQYLQ-UHFFFAOYSA-N 0 0 505.065 4.577 1 0 KJAFRN Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000114599253 562828334 /nfs/dbraw/zinc/82/83/34/562828334.db2.gz OIEGDDBPBCGRNO-UHFFFAOYSA-N 0 0 518.705 4.839 1 0 KJAFRN O=S(=O)(NCCCN1CCN(c2nsc3ccccc32)CC1)c1ccc2cc(Cl)ccc2c1 ZINC000114599467 562828340 /nfs/dbraw/zinc/82/83/40/562828340.db2.gz HKXKURPRSDNOEE-UHFFFAOYSA-N 0 0 501.077 4.594 1 0 KJAFRN O=S(=O)(NCCCN1CCN(c2nsc3ccccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114600444 562828386 /nfs/dbraw/zinc/82/83/86/562828386.db2.gz KXOTZGMYAFGHKG-UHFFFAOYSA-N 0 0 507.106 4.655 1 0 KJAFRN O=S(=O)(NCCCCN1CCN(c2nsc3ccccc32)CC1)c1ccc2cc(Cl)ccc2c1 ZINC000114600541 562828391 /nfs/dbraw/zinc/82/83/91/562828391.db2.gz YASIAEWQHNEVDZ-UHFFFAOYSA-N 0 0 515.104 4.984 1 0 KJAFRN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)N(C(=O)C(F)(F)F)CC2 ZINC000114979978 562828618 /nfs/dbraw/zinc/82/86/18/562828618.db2.gz RFOSSCXLOIOAOU-QHCPKHFHSA-N 0 0 542.595 4.644 1 0 KJAFRN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)N(C(=O)C(F)(F)F)CC2 ZINC000114979980 562828595 /nfs/dbraw/zinc/82/85/95/562828595.db2.gz RFOSSCXLOIOAOU-HSZRJFAPSA-N 0 0 542.595 4.644 1 0 KJAFRN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)N(C(C)=O)CC2 ZINC000114981650 562828670 /nfs/dbraw/zinc/82/86/70/562828670.db2.gz XLPINEONYJRWKH-VWLOTQADSA-N 0 0 505.080 4.616 1 0 KJAFRN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)N(C(C)=O)CC2 ZINC000114981652 562828702 /nfs/dbraw/zinc/82/87/02/562828702.db2.gz XLPINEONYJRWKH-RUZDIDTESA-N 0 0 505.080 4.616 1 0 KJAFRN COc1ccc(-n2cc(C(=O)NC[C@@H](O)CN3CCN(c4cccc(Cl)c4Cl)CC3)nc2-c2ccccc2)cc1 ZINC000115120728 562828742 /nfs/dbraw/zinc/82/87/42/562828742.db2.gz CUBBXRQMBRNCPR-HSZRJFAPSA-N 0 0 580.516 4.768 1 0 KJAFRN COc1ccc(-n2cc(C(=O)NC[C@H](O)CN3CCN(c4cccc(Cl)c4Cl)CC3)nc2-c2ccccc2)cc1 ZINC000115120730 562828765 /nfs/dbraw/zinc/82/87/65/562828765.db2.gz CUBBXRQMBRNCPR-QHCPKHFHSA-N 0 0 580.516 4.768 1 0 KJAFRN CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000115260136 562828816 /nfs/dbraw/zinc/82/88/16/562828816.db2.gz ZNOYCWIYCSRUOY-UHFFFAOYSA-N 0 0 606.364 4.562 1 0 KJAFRN O=C([O-])COc1cc(CC2CC[NH+](CCc3ccc4occc(=O)c4c3)CC2)ccc1Br ZINC000115368356 562828781 /nfs/dbraw/zinc/82/87/81/562828781.db2.gz YOWLYEXXEACGQQ-UHFFFAOYSA-N 0 0 500.389 4.516 1 0 KJAFRN CCS(=O)(=O)N1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115455210 562828873 /nfs/dbraw/zinc/82/88/73/562828873.db2.gz TZNKIGIHGJZECV-UHFFFAOYSA-N 0 0 504.031 4.774 1 0 KJAFRN Nc1n[nH]c2cc(-c3[nH]c([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cnnn4)nc3Cl)ccc12 ZINC000115468277 562828906 /nfs/dbraw/zinc/82/89/06/562828906.db2.gz LCVIWSIVTGTOCS-NRFANRHFSA-N 0 0 588.463 4.601 1 0 in-vitro KJAFRN COC(=O)Nc1ccc(-c2c[nH]c([C@H](Cc3ccccc3)NC(=O)C=Cc3cc(Cl)ccc3-n3cnnn3)n2)cc1 ZINC000115469270 562828951 /nfs/dbraw/zinc/82/89/51/562828951.db2.gz BQHFFACTAJVDNI-WXQAMHPUSA-N 0 0 569.025 4.998 1 0 KJAFRN Cc1ccc(-n2cnnn2)c(CCC(=O)N[C@@H](Cc2ccccc2)c2nc(Cl)c(-c3ccc4[nH]c(=O)ccc4c3)[nH]2)c1 ZINC000115471288 562828958 /nfs/dbraw/zinc/82/89/58/562828958.db2.gz DZBCAQHXXXGWCW-VWLOTQADSA-N 0 0 579.064 4.889 1 0 KJAFRN Nc1n[nH]c2cc(-c3[nH]c([C@H](Cc4ccccc4)NC(=O)C=Cc4cc(Cl)ccc4-n4cnnn4)nc3Cl)ccc12 ZINC000115471621 562828940 /nfs/dbraw/zinc/82/89/40/562828940.db2.gz ATVFYMVTZBUXET-NDEHPHGNSA-N 0 0 585.459 4.931 1 0 KJAFRN COC(=O)Nc1ccc(-c2cc(=O)[nH]c([C@H](Cc3ccccc3)NC(=O)C=Cc3cc(Cl)ccc3-n3cnnn3)c2)cc1 ZINC000115472166 562828950 /nfs/dbraw/zinc/82/89/50/562828950.db2.gz YNNDJMAFZOKCGL-BULTVDLSSA-N 0 0 596.047 4.963 1 0 KJAFRN CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Br ZINC000115616782 562828996 /nfs/dbraw/zinc/82/89/96/562828996.db2.gz WQYDASORCSDVNY-UHFFFAOYSA-N 0 0 512.408 4.536 1 0 KJAFRN CCNC(=O)c1cc(NC(C)(C)C(=O)Nc2nc3c(s2)c2c[nH]nc2cc3C(F)(F)F)ccc1F ZINC000115721454 562829060 /nfs/dbraw/zinc/82/90/60/562829060.db2.gz SGOFJRIGAKFXAH-UHFFFAOYSA-N 0 0 508.501 4.909 1 0 KJAFRN Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc([C@@H](O)C(F)(F)F)cc5)[nH]c4C)ccc3[nH]2)n1 ZINC000115832983 562829094 /nfs/dbraw/zinc/82/90/94/562829094.db2.gz DUIODLDINBXUEC-OAQYLSRUSA-N 0 0 510.476 4.751 1 0 KJAFRN Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc([C@H](O)C(F)(F)F)cc5)[nH]c4C)ccc3[nH]2)n1 ZINC000115832985 562829063 /nfs/dbraw/zinc/82/90/63/562829063.db2.gz DUIODLDINBXUEC-NRFANRHFSA-N 0 0 510.476 4.751 1 0 KJAFRN CN1CCN(C(=O)N2Cc3c(Nc4nc(Cl)nc5ccsc54)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000115988792 562829173 /nfs/dbraw/zinc/82/91/73/562829173.db2.gz ZBEYISOSYNXIMK-KRWDZBQOSA-N 0 0 537.093 4.841 1 0 KJAFRN O=C([O-])c1ccc2c(c1)nc(C(=O)NC1CC[NH+](C3CC3)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1 ZINC000116021850 562829176 /nfs/dbraw/zinc/82/91/76/562829176.db2.gz PQDRCVHHJPMGKO-UHFFFAOYSA-N 0 0 526.018 4.509 1 0 KJAFRN Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc(N3CCOCC3)cn2)c1=O ZINC000116055944 562829191 /nfs/dbraw/zinc/82/91/91/562829191.db2.gz GZRXIYDHRQIVER-UHFFFAOYSA-N 0 0 615.731 4.802 1 0 KJAFRN CCn1nc(Nc2cc(-c3cc(F)cc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)cc1C ZINC000116056106 562829230 /nfs/dbraw/zinc/82/92/30/562829230.db2.gz ZJTUTXUSZVLCGN-UHFFFAOYSA-N 0 0 558.658 4.539 1 0 KJAFRN C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCC[C@@H]3O)c2)c1)c1ccc2c(c1)OCCO2 ZINC000116225056 562829311 /nfs/dbraw/zinc/82/93/11/562829311.db2.gz SFWUZQCSQUYBEM-WPQAOXEXSA-N 0 0 620.653 4.720 1 0 KJAFRN C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCC[C@@H]3O)c2)c1)c1ccc2c(c1)OCOC2 ZINC000116227332 562829300 /nfs/dbraw/zinc/82/93/00/562829300.db2.gz AGELDMBCFGFBAP-JECGBCDCSA-N 0 0 620.653 4.815 1 0 KJAFRN Cc1ccc(F)c(NC(=O)c2cccc(Oc3ccnc(-c4cc(C(=O)N5CC[C@H](O)C5)c[nH]4)c3)c2)c1 ZINC000116233690 562829313 /nfs/dbraw/zinc/82/93/13/562829313.db2.gz FARCUXOVRVSRLQ-FQEVSTJZSA-N 0 0 500.530 4.776 1 0 KJAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(N)=O)c[nH]4)c3)cc2)c1 ZINC000116236220 562829329 /nfs/dbraw/zinc/82/93/29/562829329.db2.gz ASFWYYZRDZASBM-UHFFFAOYSA-N 0 0 530.560 4.956 1 0 KJAFRN COc1cnc(-n2ccc(C(F)(F)F)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c21 ZINC000116495843 562829433 /nfs/dbraw/zinc/82/94/33/562829433.db2.gz YSYIEWKDISNLFE-UHFFFAOYSA-N 0 0 546.509 4.606 1 0 KJAFRN CCCS(=O)(=O)Nc1cc(C(C)(C)C)cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)c1OC ZINC000116631479 562829453 /nfs/dbraw/zinc/82/94/53/562829453.db2.gz FNRYKRVTECSVKK-UHFFFAOYSA-N 0 0 611.761 4.830 1 0 KJAFRN Cc1cc(Nc2nc(Cl)cn([C@H](COC(=O)Nc3cccnc3)C3CC3)c2=O)c(C)nc1OC(F)F ZINC000116832584 562829594 /nfs/dbraw/zinc/82/95/94/562829594.db2.gz NKRFCZFKFHCUGX-QGZVFWFLSA-N 0 0 520.924 4.848 1 0 KJAFRN Cc1nn(C)c(CC(C)C)c1[N-]S(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CC[NH2+]CC3)c2)cc1Cl ZINC000117318879 562829714 /nfs/dbraw/zinc/82/97/14/562829714.db2.gz FHFKEHHLTWJRPV-UHFFFAOYSA-N 0 0 537.517 4.506 1 0 KJAFRN C[C@@H]1CN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1C(=O)OC(C)(C)C ZINC000117721654 562829866 /nfs/dbraw/zinc/82/98/66/562829866.db2.gz HXBQPMXWQBHWSU-LJQANCHMSA-N 0 0 548.692 4.832 1 0 KJAFRN C[C@H]1CN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1C(=O)OC(C)(C)C ZINC000117721658 562829863 /nfs/dbraw/zinc/82/98/63/562829863.db2.gz HXBQPMXWQBHWSU-IBGZPJMESA-N 0 0 548.692 4.832 1 0 KJAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)C5CCCCC5)CC4)cn3)nc2n1C1CCCC1 ZINC000117725442 562829868 /nfs/dbraw/zinc/82/98/68/562829868.db2.gz NGQJZDKGZQIMBY-UHFFFAOYSA-N 0 0 544.704 4.616 1 0 KJAFRN CCc1nn(Cc2cnn(Cc3ccc(OC)cc3)c2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000117884396 562829949 /nfs/dbraw/zinc/82/99/49/562829949.db2.gz NMPMPLYJILKKEJ-UHFFFAOYSA-N 0 0 505.582 4.800 1 0 KJAFRN COCCOc1ccn2c(c1)ncc2C(=O)Nc1cccc2c1c(I)nn2Cc1ccccc1 ZINC000117884745 562829964 /nfs/dbraw/zinc/82/99/64/562829964.db2.gz BHFHDPVAKGLLLD-UHFFFAOYSA-N 0 0 567.387 4.614 1 0 KJAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@@H](F)C5)ccn43)c12 ZINC000117885264 562829937 /nfs/dbraw/zinc/82/99/37/562829937.db2.gz WROWUZJYTYKDLR-OAQYLSRUSA-N 0 0 541.631 4.673 1 0 KJAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@H](F)C5)ccn43)c12 ZINC000117885267 562829991 /nfs/dbraw/zinc/82/99/91/562829991.db2.gz WROWUZJYTYKDLR-NRFANRHFSA-N 0 0 541.631 4.673 1 0 KJAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnc(C)n5C)ccn43)c12 ZINC000117885454 562829935 /nfs/dbraw/zinc/82/99/35/562829935.db2.gz GMVHJGPRWKGHNF-UHFFFAOYSA-N 0 0 504.598 4.959 1 0 KJAFRN Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118091638 562830090 /nfs/dbraw/zinc/83/00/90/562830090.db2.gz VMUYAXZJSIXCPM-UHFFFAOYSA-N 0 0 549.622 4.770 1 0 KJAFRN Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118095898 562830184 /nfs/dbraw/zinc/83/01/84/562830184.db2.gz VVVKOYZZNFFZJX-UHFFFAOYSA-N 0 0 507.585 4.999 1 0 KJAFRN Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2nc(N)c(N3CCOCC3)cc21 ZINC000118096626 562830182 /nfs/dbraw/zinc/83/01/82/562830182.db2.gz AZZWNMCISKZMKL-UHFFFAOYSA-N 0 0 526.616 4.758 1 0 KJAFRN COc1cc(CC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(Br)c1O ZINC000118199288 562830212 /nfs/dbraw/zinc/83/02/12/562830212.db2.gz FMFZNNZSCQUXIT-UHFFFAOYSA-N 0 0 516.358 4.672 1 0 KJAFRN COc1cc(CC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc(Br)c1N ZINC000118199519 562830221 /nfs/dbraw/zinc/83/02/21/562830221.db2.gz HSARPVRSWGKTBT-UHFFFAOYSA-N 0 0 515.374 4.549 1 0 KJAFRN O=C(Nc1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118508467 562830303 /nfs/dbraw/zinc/83/03/03/562830303.db2.gz ISLTZKFJNUHHLT-UHFFFAOYSA-N 0 0 515.010 4.585 1 0 KJAFRN O=C(c1ccc(Cl)cc1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118517608 562830304 /nfs/dbraw/zinc/83/03/04/562830304.db2.gz SDNXUOUWRXGQHH-UHFFFAOYSA-N 0 0 516.450 4.707 1 0 KJAFRN O=C(Nc1ccccc1F)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118524082 562830345 /nfs/dbraw/zinc/83/03/45/562830345.db2.gz YMPRNIBHEYGKBG-UHFFFAOYSA-N 0 0 515.010 4.585 1 0 KJAFRN O=C(c1cccc(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118524162 562830319 /nfs/dbraw/zinc/83/03/19/562830319.db2.gz PTTHWTQOBVVLDB-UHFFFAOYSA-N 0 0 516.450 4.707 1 0 KJAFRN CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n4C)cc1 ZINC000118531601 562830323 /nfs/dbraw/zinc/83/03/23/562830323.db2.gz SSCOZTIRCZPKOI-UHFFFAOYSA-N 0 0 545.644 4.664 1 0 KJAFRN O=C(Nc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118534492 562830331 /nfs/dbraw/zinc/83/03/31/562830331.db2.gz OZDSWLAPHIXPOF-UHFFFAOYSA-N 0 0 515.010 4.585 1 0 KJAFRN O=C(Cc1ccc(Cl)cc1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118536497 562830368 /nfs/dbraw/zinc/83/03/68/562830368.db2.gz XDSQGUYPDBYOQS-UHFFFAOYSA-N 0 0 530.477 4.636 1 0 KJAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)N5CC(F)(F)F)cn3)nc2n1C1CCCC1 ZINC000118590386 562830400 /nfs/dbraw/zinc/83/04/00/562830400.db2.gz HWRMTGWTJWAFOT-PZJWPPBQSA-N 0 0 570.620 4.519 1 0 KJAFRN COc1ccc(N2C(=O)Cc3cc(OCCN4CCOCC4)c(OC)cc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000118796204 562830645 /nfs/dbraw/zinc/83/06/45/562830645.db2.gz AKPFFHYQTZCFGK-LJAQVGFWSA-N 0 0 523.029 4.747 1 0 KJAFRN COc1ccc(N2C(=O)Cc3cc(OCCN4CCOCC4)c(OC)cc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000118796206 562830665 /nfs/dbraw/zinc/83/06/65/562830665.db2.gz AKPFFHYQTZCFGK-GDLZYMKVSA-N 0 0 523.029 4.747 1 0 KJAFRN CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)NC)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118798572 562830722 /nfs/dbraw/zinc/83/07/22/562830722.db2.gz HFUSQVKFLQGXMK-FCLPZZLWSA-N 0 0 606.119 4.526 1 0 KJAFRN CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)NC)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118798574 562830713 /nfs/dbraw/zinc/83/07/13/562830713.db2.gz HFUSQVKFLQGXMK-QLNCLIRQSA-N 0 0 606.119 4.526 1 0 KJAFRN CCCCNC(=O)NCC[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c21 ZINC000118824644 562830779 /nfs/dbraw/zinc/83/07/79/562830779.db2.gz RHQNHAFJMSZABV-CQSZACIVSA-N 0 0 503.600 4.926 1 0 KJAFRN CCCCNC(=O)NCC[C@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c21 ZINC000118824646 562830758 /nfs/dbraw/zinc/83/07/58/562830758.db2.gz RHQNHAFJMSZABV-AWEZNQCLSA-N 0 0 503.600 4.926 1 0 KJAFRN CC(=O)OCCOCCO[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000118921488 562831000 /nfs/dbraw/zinc/83/10/00/562831000.db2.gz GNIJDEXPULDQLR-WEDUVFFXSA-N 0 0 504.664 4.661 1 0 KJAFRN CC(=O)O[C@@H]1C[C@@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118937038 571846499 /nfs/dbraw/zinc/84/64/99/571846499.db2.gz ANGCIHCSPJLGME-YIANZMCZSA-N 0 0 500.676 4.871 1 0 endogenous,in-man KJAFRN CC(=O)O[C@H]1C[C@@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118937039 571846542 /nfs/dbraw/zinc/84/65/42/571846542.db2.gz ANGCIHCSPJLGME-KSVLKFOESA-N 0 0 500.676 4.871 1 0 endogenous,in-man KJAFRN CC(=O)O[C@@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118937040 571846606 /nfs/dbraw/zinc/84/66/06/571846606.db2.gz ANGCIHCSPJLGME-IZXJDBCTSA-N 0 0 500.676 4.871 1 0 endogenous,in-man KJAFRN CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)[C@@H]5CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118937041 571846658 /nfs/dbraw/zinc/84/66/58/571846658.db2.gz ANGCIHCSPJLGME-LKTFFCMKSA-N 0 0 500.676 4.871 1 0 endogenous,in-man KJAFRN Cc1ccc(C[C@@H](CNC(=S)N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000135897853 562831118 /nfs/dbraw/zinc/83/11/18/562831118.db2.gz BVDOGTJSZAUADC-UNMCSNQZSA-N 0 0 533.760 4.648 1 0 KJAFRN Cc1ccc(C[C@H](CNC(=S)N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000135897899 562831096 /nfs/dbraw/zinc/83/10/96/562831096.db2.gz BVDOGTJSZAUADC-RBBKRZOGSA-N 0 0 533.760 4.648 1 0 KJAFRN Cc1ccc(C[C@@H](CNC(=S)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000135897927 562831093 /nfs/dbraw/zinc/83/10/93/562831093.db2.gz BVDOGTJSZAUADC-IRLDBZIGSA-N 0 0 533.760 4.648 1 0 KJAFRN Cc1ccc(C[C@H](CNC(=S)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000135897970 562831076 /nfs/dbraw/zinc/83/10/76/562831076.db2.gz BVDOGTJSZAUADC-IFMALSPDSA-N 0 0 533.760 4.648 1 0 KJAFRN O=C(OCC(F)(F)F)[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@@H]1c1ccco1 ZINC000136831260 562831300 /nfs/dbraw/zinc/83/13/00/562831300.db2.gz JIANCEGGXLZMAU-IXLXJOPFSA-N 0 0 574.596 4.963 1 0 KJAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCCN1CCCc2ccccc21 ZINC000136904757 562831294 /nfs/dbraw/zinc/83/12/94/562831294.db2.gz JJAOOYMOIBDGJA-CONSDPRKSA-N 0 0 612.771 4.583 1 0 KJAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000137148896 560044615 /nfs/dbraw/zinc/04/46/15/560044615.db2.gz FGGPIWICAGRSLN-SXERAEPDSA-N 0 0 518.647 4.615 1 0 biogenic,in-vitro KJAFRN Cc1cc(=O)c(O)cc2c1C[C@H]1CC(C)(C)/C=C/C[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3C[C@H](O)[C@@]1(C)O2 ZINC000137193360 562831383 /nfs/dbraw/zinc/83/13/83/562831383.db2.gz BWTQHPFSWXJOGP-YLLNCWMYSA-N 0 0 548.676 4.882 1 0 KJAFRN CC(C)[C@H]1NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)c2csc1n2 ZINC000137270837 562831423 /nfs/dbraw/zinc/83/14/23/562831423.db2.gz MCTYQNKZLHHNCP-KZNAEPCWSA-N 0 0 546.744 4.751 1 0 KJAFRN Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1ccc(F)cc1 ZINC000137421882 562831465 /nfs/dbraw/zinc/83/14/65/562831465.db2.gz MYWYNENZGUSROH-KRWDZBQOSA-N 0 0 510.639 4.872 1 0 KJAFRN COc1cc2cc(c1Cl)NC(=O)C=CC(C)=C[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000137445047 562831470 /nfs/dbraw/zinc/83/14/70/562831470.db2.gz PWFGDMBLNXAYAR-OKDOUEBSSA-N 0 0 517.022 4.686 1 0 KJAFRN CC(=O)O[C@H]1CC[C@@H](C)[C@@]23C[C@@H]([C@H](OC(=O)C(C)C)[C@@H](OC(=O)c4ccccc4)[C@]12COC(=O)c1cccnc1)C(C)(C)O3 ZINC000137452109 562831472 /nfs/dbraw/zinc/83/14/72/562831472.db2.gz OHGYCYGZIDYYCV-HAGXCHLJSA-N 0 0 607.700 4.947 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OC[C@H](C)NC(=O)NCCC)ncnc2Nc1ccc(Br)cc1F ZINC000137830720 562831545 /nfs/dbraw/zinc/83/15/45/562831545.db2.gz WKGRZWRDIRBFPN-AWEZNQCLSA-N 0 0 545.413 4.876 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OC[C@@H](C)NC(=O)NCCC)ncnc2Nc1ccc(Br)cc1F ZINC000137830809 562831566 /nfs/dbraw/zinc/83/15/66/562831566.db2.gz WKGRZWRDIRBFPN-CQSZACIVSA-N 0 0 545.413 4.876 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OC[C@H](CC)NC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137830917 562831560 /nfs/dbraw/zinc/83/15/60/562831560.db2.gz GTDDUMDJAUSXRI-HNNXBMFYSA-N 0 0 516.371 4.693 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OC[C@@H](CC)NC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137831009 562831565 /nfs/dbraw/zinc/83/15/65/562831565.db2.gz GTDDUMDJAUSXRI-OAHLLOKOSA-N 0 0 516.371 4.693 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1O[C@H]1CCCN(C(C)=O)C1)ncnc2Nc1ccc(Br)cc1F ZINC000137831470 562831563 /nfs/dbraw/zinc/83/15/63/562831563.db2.gz NQECTGFZOQWBSF-INIZCTEOSA-N 0 0 528.382 4.789 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1O[C@@H]1CCCN(C(C)=O)C1)ncnc2Nc1ccc(Br)cc1F ZINC000137831575 562831533 /nfs/dbraw/zinc/83/15/33/562831533.db2.gz NQECTGFZOQWBSF-MRXNPFEDSA-N 0 0 528.382 4.789 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)c1ccc[nH]1)ncnc2Nc1ccc(Br)cc1F ZINC000137847814 562831576 /nfs/dbraw/zinc/83/15/76/562831576.db2.gz GAONTQMLYXNEGT-UHFFFAOYSA-N 0 0 539.365 4.536 1 0 KJAFRN CC[C@@H](O)CNC(=O)c1cccc(-n2ncc3cc(O[C@H](c4ccc5c(c4)OCOC5)[C@H](C)NC(=O)C(C)(F)F)ccc32)c1 ZINC000137849600 562831602 /nfs/dbraw/zinc/83/16/02/562831602.db2.gz DFLABOCFUUEYAR-CIKSPIGKSA-N 0 0 608.642 4.673 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCC1CCN(C(N)=O)CC1)ncnc2Nc1ccc(Br)cc1F ZINC000137863882 562831603 /nfs/dbraw/zinc/83/16/03/562831603.db2.gz JRVWLHJZBRHYIL-UHFFFAOYSA-N 0 0 543.397 4.569 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCCNC(=O)C(F)(F)F)ncnc2Nc1ccc(Br)cc1F ZINC000137871219 562831607 /nfs/dbraw/zinc/83/16/07/562831607.db2.gz RVHJFVOVALAVIJ-UHFFFAOYSA-N 0 0 556.314 4.847 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCCCNC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137877394 562831585 /nfs/dbraw/zinc/83/15/85/562831585.db2.gz RWBZRZZVHCQBPV-UHFFFAOYSA-N 0 0 516.371 4.695 1 0 KJAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7n6)CC5)C[C@@]43C)[C@@H]1CCC2=O ZINC000137889516 562831613 /nfs/dbraw/zinc/83/16/13/562831613.db2.gz XPCQPZXYBZFMOG-OBLTXFSLSA-N 0 0 626.842 4.935 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N[C@H](C)CC)ncnc2Nc1ccc(Br)cc1F ZINC000137897476 562831615 /nfs/dbraw/zinc/83/16/15/562831615.db2.gz QIAQUEWCLIWXJA-CQSZACIVSA-N 0 0 545.413 4.876 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N[C@@H](C)CC)ncnc2Nc1ccc(Br)cc1F ZINC000137897566 562831619 /nfs/dbraw/zinc/83/16/19/562831619.db2.gz QIAQUEWCLIWXJA-AWEZNQCLSA-N 0 0 545.413 4.876 1 0 KJAFRN C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1)c1ccc2c(c1)OCOC2 ZINC000137899649 562831625 /nfs/dbraw/zinc/83/16/25/562831625.db2.gz RMFUDTCBHRCGFG-KADOZOMVSA-N 0 0 606.626 4.691 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1SCCNC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137904293 562831690 /nfs/dbraw/zinc/83/16/90/562831690.db2.gz RLCCESPCQUPJAN-UHFFFAOYSA-N 0 0 504.385 4.628 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C(C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137904833 562831692 /nfs/dbraw/zinc/83/16/92/562831692.db2.gz ODIVICGOEIOVIQ-UHFFFAOYSA-N 0 0 516.371 4.551 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCC)ncnc2Nc1ccc(Br)cc1F ZINC000137911234 562831686 /nfs/dbraw/zinc/83/16/86/562831686.db2.gz LAJAGNNRQYMPDT-UHFFFAOYSA-N 0 0 516.371 4.695 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)/C=C/CC)ncnc2Nc1ccc(Br)cc1F ZINC000137911335 562831664 /nfs/dbraw/zinc/83/16/64/562831664.db2.gz PGZSGIRUWAIJMW-AATRIKPKSA-N 0 0 528.382 4.861 1 0 KJAFRN C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@H]3CCC[C@@H]3O)c2)c1)c1ccc2c(c1)OCOC2 ZINC000137975534 562831700 /nfs/dbraw/zinc/83/17/00/562831700.db2.gz AGELDMBCFGFBAP-IISQNECDSA-N 0 0 620.653 4.815 1 0 KJAFRN CCOC(=O)C1=C(CN2CCSCC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138136686 562831747 /nfs/dbraw/zinc/83/17/47/562831747.db2.gz NWNQOEASFRZPTJ-JOCHJYFZSA-N 0 0 527.971 4.854 1 0 KJAFRN CCOC(=O)C1=C(CN2CCSCC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138136794 562831751 /nfs/dbraw/zinc/83/17/51/562831751.db2.gz NWNQOEASFRZPTJ-QFIPXVFZSA-N 0 0 527.971 4.854 1 0 KJAFRN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138174253 562831760 /nfs/dbraw/zinc/83/17/60/562831760.db2.gz YLVVKLQUMJITNG-XMMPIXPASA-N 0 0 582.982 4.579 1 0 KJAFRN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138174363 562831735 /nfs/dbraw/zinc/83/17/35/562831735.db2.gz YLVVKLQUMJITNG-DEOSSOPVSA-N 0 0 582.982 4.579 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1ccccn1)S(=O)(=O)c1ccc(N)cc1 ZINC000138192610 562831786 /nfs/dbraw/zinc/83/17/86/562831786.db2.gz XCANMBXWBTYOBG-TWJUONSBSA-N 0 0 631.843 4.512 1 0 KJAFRN COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000138207339 562831796 /nfs/dbraw/zinc/83/17/96/562831796.db2.gz DJVBNZMSHDWOSI-UHFFFAOYSA-N 0 0 550.999 4.982 1 0 KJAFRN COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H]([NH2+][C@H](C)c3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000138278003 562831811 /nfs/dbraw/zinc/83/18/11/562831811.db2.gz JZTFFTMPOGLVCG-CBZQJITBSA-N 0 0 574.681 4.663 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000138465968 562831932 /nfs/dbraw/zinc/83/19/32/562831932.db2.gz DQIFHEDEBGXPBE-YSGRDPCXSA-N 0 0 602.589 4.959 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000138466100 562831942 /nfs/dbraw/zinc/83/19/42/562831942.db2.gz DQIFHEDEBGXPBE-BEVDRBHNSA-N 0 0 602.589 4.959 1 0 KJAFRN CC(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)/C=C/c4ccccc4)CC[C@@H](C)[C@@]13OC2(C)C ZINC000138605615 562832065 /nfs/dbraw/zinc/83/20/65/562832065.db2.gz MNLKNEQXKUZCMW-DJDKZYDBSA-N 0 0 562.659 4.743 1 0 KJAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC(Cc4ccccc4)CC2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138630710 562832100 /nfs/dbraw/zinc/83/21/00/562832100.db2.gz BZLNDSLGEWGIAV-QFIPXVFZSA-N 0 0 539.680 4.877 1 0 KJAFRN CC[C@](C)(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000138722987 562832148 /nfs/dbraw/zinc/83/21/48/562832148.db2.gz RKVNUVWWFBRHSI-DEOSSOPVSA-N 0 0 544.615 4.831 1 0 KJAFRN CC[C@@](C)(C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000138723128 562832124 /nfs/dbraw/zinc/83/21/24/562832124.db2.gz RKVNUVWWFBRHSI-XMMPIXPASA-N 0 0 544.615 4.831 1 0 KJAFRN CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C2(c3ccc(NS(C)(=O)=O)c(F)c3)CCCC2)CC1 ZINC000138734353 562832172 /nfs/dbraw/zinc/83/21/72/562832172.db2.gz MKZAZUNLOWNYHT-UHFFFAOYSA-N 0 0 556.626 4.976 1 0 KJAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC(c4ccccc4)CC2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138736502 562832163 /nfs/dbraw/zinc/83/21/63/562832163.db2.gz ATTPWYSTEFHYPE-NRFANRHFSA-N 0 0 525.653 4.802 1 0 KJAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC(c4cccc(O)c4)CC2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138935423 562832231 /nfs/dbraw/zinc/83/22/31/562832231.db2.gz HJNCDQOOPBVXTQ-FQEVSTJZSA-N 0 0 541.652 4.507 1 0 KJAFRN CC(=O)N1CCN([C@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138960513 562832255 /nfs/dbraw/zinc/83/22/55/562832255.db2.gz AJIVJAKIEIICSU-PMERELPUSA-N 0 0 547.663 4.994 1 0 KJAFRN CC(=O)N1CCN([C@@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138960631 562832281 /nfs/dbraw/zinc/83/22/81/562832281.db2.gz AJIVJAKIEIICSU-SSEXGKCCSA-N 0 0 547.663 4.994 1 0 KJAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC[C@H](c4ccccc4)C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138970230 562832238 /nfs/dbraw/zinc/83/22/38/562832238.db2.gz GGQLAXSFEIEDKB-URXFXBBRSA-N 0 0 525.653 4.802 1 0 KJAFRN COc1ccc(C(=O)C2CCN(c3nc4nc(-c5ccc(OC)c(CO)c5)ccc4c(N4CCOC[C@@H]4C)n3)CC2)cc1 ZINC000139078735 562832330 /nfs/dbraw/zinc/83/23/30/562832330.db2.gz VWXJGKGVUOOZLS-NRFANRHFSA-N 0 0 583.689 4.526 1 0 KJAFRN COC(=O)CC(=O)C[C@@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000139118374 562832341 /nfs/dbraw/zinc/83/23/41/562832341.db2.gz MAYZPGSQWASSJR-WFBJUXJXSA-N 0 0 620.780 4.570 1 0 KJAFRN COC(=O)CC(=O)C[C@H](O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000139118495 562832346 /nfs/dbraw/zinc/83/23/46/562832346.db2.gz MAYZPGSQWASSJR-BNBHGFNGSA-N 0 0 620.780 4.570 1 0 KJAFRN CCOC(=O)C(C)(C)n1cc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)cn1 ZINC000139500799 562832559 /nfs/dbraw/zinc/83/25/59/562832559.db2.gz TXNNORIVSOVTRM-UHFFFAOYSA-N 0 0 514.508 4.847 1 0 KJAFRN CC(=O)N1CCC(n2cc(-c3ccn4c(c3)ncc4-c3cccc(NC(=O)NCC(F)(F)F)c3)cn2)CC1 ZINC000139521449 562832551 /nfs/dbraw/zinc/83/25/51/562832551.db2.gz GZPODFUYQLEYLB-UHFFFAOYSA-N 0 0 525.535 4.732 1 0 KJAFRN CC(C)(C(=O)N1CCC1)n1cc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)cn1 ZINC000139536028 562832567 /nfs/dbraw/zinc/83/25/67/562832567.db2.gz LOZJYNGVAVCWQR-UHFFFAOYSA-N 0 0 525.535 4.516 1 0 KJAFRN COc1ccc(O[C@H]2C[C@H](O)C[C@@H](/C=C/c3c(-c4ccc(F)cc4)nc(N(C)S(C)(=O)=O)nc3C(C)C)O2)c(OC)c1 ZINC000139553398 562832571 /nfs/dbraw/zinc/83/25/71/562832571.db2.gz CQYSSVVEFOVLEM-HIFMUIOLSA-N 0 0 601.697 4.777 1 0 KJAFRN COc1ccc(O[C@@H]2C[C@H](O)C[C@@H](/C=C/c3c(-c4ccc(F)cc4)nc(N(C)S(C)(=O)=O)nc3C(C)C)O2)c(OC)c1 ZINC000139553514 562832596 /nfs/dbraw/zinc/83/25/96/562832596.db2.gz CQYSSVVEFOVLEM-PYVGBBOISA-N 0 0 601.697 4.777 1 0 KJAFRN CCN1c2ccc(OCCCN(CCc3cccnc3)C(=O)c3ccccc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139602088 562832660 /nfs/dbraw/zinc/83/26/60/562832660.db2.gz GSTPBOROERDRHO-UHFFFAOYSA-N 0 0 528.653 4.591 1 0 KJAFRN CCN1c2ccc(OCCCN(CCn3ccc4ccccc4c3=O)S(=O)(=O)c3ccccc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139612081 562832723 /nfs/dbraw/zinc/83/27/23/562832723.db2.gz CMPJAGCXBOHFAF-UHFFFAOYSA-N 0 0 630.767 4.517 1 0 KJAFRN CN1C(=O)CC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139758405 562832735 /nfs/dbraw/zinc/83/27/35/562832735.db2.gz IHOFKGNFFHYEBR-FNNFCLMASA-N 0 0 539.620 4.786 1 0 KJAFRN COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-c1cnn(C)c1 ZINC000139917838 562832823 /nfs/dbraw/zinc/83/28/23/562832823.db2.gz CNUOVJNPAJBGDE-QFIPXVFZSA-N 0 0 514.483 4.576 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCC[C@H]2C(=O)[O-])c(C(C)C)c1 ZINC000139939125 562832838 /nfs/dbraw/zinc/83/28/38/562832838.db2.gz ASHJGVAKJNCVRA-SVBPBHIXSA-N 0 0 584.783 4.696 1 0 KJAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCCC[C@H]2C(=O)[O-])c(C(C)C)c1 ZINC000139939274 562832822 /nfs/dbraw/zinc/83/28/22/562832822.db2.gz ASHJGVAKJNCVRA-SXOMAYOGSA-N 0 0 584.783 4.696 1 0 KJAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](NC(=O)OCCO)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12 ZINC000139958338 562832815 /nfs/dbraw/zinc/83/28/15/562832815.db2.gz ZHYYTGYLGLSISZ-VERGWIBFSA-N 0 0 508.590 4.602 1 0 KJAFRN CCOC(=O)N=[S@@](=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 ZINC000140039184 562832875 /nfs/dbraw/zinc/83/28/75/562832875.db2.gz HATXFEHOSXEUOA-WAJSEHEASA-N 0 0 514.446 4.557 1 0 KJAFRN CCCc1cnc(N2CCC([C@@H]3Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)cc(F)c4O3)CC2)nc1 ZINC000140143438 562832916 /nfs/dbraw/zinc/83/29/16/562832916.db2.gz MRVUVKYVTCMVPN-SANMLTNESA-N 0 0 528.694 4.617 1 0 KJAFRN CC(C)N1C(=O)N(Cc2cnc3cc4c(cc3c2)C[C@]2(C4)c3cccnc3NC2=O)[C@@](C)(c2ccccc2)C1=O ZINC000140240360 562832969 /nfs/dbraw/zinc/83/29/69/562832969.db2.gz MPLXWSJVOSISNE-ACHIHNKUSA-N 0 0 531.616 4.707 1 0 KJAFRN CC(=O)Nc1ccc(N(C(=O)Cn2cnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140321532 562833011 /nfs/dbraw/zinc/83/30/11/562833011.db2.gz CVEWHUIBDCQOLR-VWLOTQADSA-N 0 0 503.628 4.745 1 0 KJAFRN CC(=O)Nc1ccc(N(C(=O)Cn2cnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140321703 562833012 /nfs/dbraw/zinc/83/30/12/562833012.db2.gz CVEWHUIBDCQOLR-RUZDIDTESA-N 0 0 503.628 4.745 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C)CC3)nc12 ZINC000140566139 562833150 /nfs/dbraw/zinc/83/31/50/562833150.db2.gz ULMFVOPMJGFXPW-UHFFFAOYSA-N 0 0 616.446 4.839 1 0 KJAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@H]21)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000140566564 560045232 /nfs/dbraw/zinc/04/52/32/560045232.db2.gz WJFSBKDDKDZRMR-XDAFRCGZSA-N 0 0 576.683 4.565 1 0 biogenic,in-vitro KJAFRN CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cccc[n+]2[O-])s1 ZINC000140608865 562833227 /nfs/dbraw/zinc/83/32/27/562833227.db2.gz IDRHDDZJGCTLFZ-NLBAYLNJSA-N 0 0 535.588 4.998 1 0 KJAFRN CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCN2S(C)(=O)=O)s1 ZINC000141113128 562833512 /nfs/dbraw/zinc/83/35/12/562833512.db2.gz YCJCTIFDDNUKCT-QWIPUYGYSA-N 0 0 589.702 4.589 1 0 KJAFRN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000141165519 562833497 /nfs/dbraw/zinc/83/34/97/562833497.db2.gz FKYZVTDYHPHSOD-UHFFFAOYSA-N 0 0 544.059 4.717 1 0 KJAFRN CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3cccc(C(F)(F)F)c3)CC4)cn2)CC1 ZINC000141184994 562833486 /nfs/dbraw/zinc/83/34/86/562833486.db2.gz KWBWQXDBZUGRKE-UHFFFAOYSA-N 0 0 550.589 4.709 1 0 KJAFRN Nc1ccn([C@H]2S[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(=O)n1 ZINC000141594059 562833672 /nfs/dbraw/zinc/83/36/72/562833672.db2.gz DEZPSBMONSHGFT-QOEIGGFQSA-N 0 0 529.662 4.827 1 0 KJAFRN COC(=O)c1ccc(-c2ccc(N)c(NC(=O)c3ccc(CNC(=O)OCc4cccnc4)cc3)c2)cc1 ZINC000141641262 562833676 /nfs/dbraw/zinc/83/36/76/562833676.db2.gz WDHUKJOENWSXSH-UHFFFAOYSA-N 0 0 510.550 4.796 1 0 KJAFRN COc1ccc(C(=O)N[C@@H](c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)C2CC2)cc1Cl ZINC000141654615 562833643 /nfs/dbraw/zinc/83/36/43/562833643.db2.gz LCCNJTIEMUTVAZ-HSZRJFAPSA-N 0 0 511.047 4.926 1 0 KJAFRN CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1 ZINC000141657100 562833657 /nfs/dbraw/zinc/83/36/57/562833657.db2.gz MZXWCBSZRZEHQT-XMMPIXPASA-N 0 0 512.639 4.546 1 0 KJAFRN O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)cc2)c1 ZINC000141661154 562833733 /nfs/dbraw/zinc/83/37/33/562833733.db2.gz NZEIULMPCIMAOK-XTEPFMGCSA-N 0 0 582.730 4.748 1 0 KJAFRN O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)c1 ZINC000141714126 562833693 /nfs/dbraw/zinc/83/36/93/562833693.db2.gz BJLMERIQVUYUGL-XTEPFMGCSA-N 0 0 582.730 4.952 1 0 KJAFRN CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1 ZINC000141717729 562833708 /nfs/dbraw/zinc/83/37/08/562833708.db2.gz RWTHPGAMHMHRLU-XMMPIXPASA-N 0 0 512.639 4.751 1 0 KJAFRN Cc1c2c(ccc1NS(C)(=O)=O)[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1-c1ccccc1)C2=O ZINC000141836778 562833789 /nfs/dbraw/zinc/83/37/89/562833789.db2.gz DXLNCZJJJPCMPU-RUZDIDTESA-N 0 0 505.640 4.645 1 0 KJAFRN Cc1c2c(ccc1NS(C)(=O)=O)[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1-c1ccccc1)C2=O ZINC000141836973 562833771 /nfs/dbraw/zinc/83/37/71/562833771.db2.gz DXLNCZJJJPCMPU-VWLOTQADSA-N 0 0 505.640 4.645 1 0 KJAFRN O=C(c1cnccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000141870249 562833815 /nfs/dbraw/zinc/83/38/15/562833815.db2.gz PSRYZELHXJZMMX-MHZLTWQESA-N 0 0 583.567 4.724 1 0 KJAFRN O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000141892861 562833806 /nfs/dbraw/zinc/83/38/06/562833806.db2.gz KJONPTJSPNEFLS-NDEPHWFRSA-N 0 0 549.027 4.963 1 0 KJAFRN O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 ZINC000141930785 562833837 /nfs/dbraw/zinc/83/38/37/562833837.db2.gz GJEYPXYKCVXQTL-NDEPHWFRSA-N 0 0 550.562 4.588 1 0 KJAFRN Cc1ccccc1S(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2ccccn2)C1 ZINC000141978729 562833873 /nfs/dbraw/zinc/83/38/73/562833873.db2.gz CQEKQSODDBEREV-LJAQVGFWSA-N 0 0 528.609 4.618 1 0 KJAFRN Cc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccccn3)C2)cc1 ZINC000142092726 562833927 /nfs/dbraw/zinc/83/39/27/562833927.db2.gz BWJSGTSHQSLHEA-LJAQVGFWSA-N 0 0 528.609 4.618 1 0 KJAFRN Cc1cccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccccn3)C2)c1 ZINC000142103944 562833935 /nfs/dbraw/zinc/83/39/35/562833935.db2.gz TUPIGZAWTJILKC-LJAQVGFWSA-N 0 0 528.609 4.618 1 0 KJAFRN COc1ncc(C(=O)NC2(C(=O)N[C@@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)cc(F)c43)CC2)cn1 ZINC000142223492 562834036 /nfs/dbraw/zinc/83/40/36/562834036.db2.gz FDGCWUJGJDWRLS-OAQYLSRUSA-N 0 0 580.979 4.508 1 0 KJAFRN COc1ncc(C(=O)NC2(C(=O)N[C@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)cc(F)c43)CC2)cn1 ZINC000142223678 562834006 /nfs/dbraw/zinc/83/40/06/562834006.db2.gz FDGCWUJGJDWRLS-NRFANRHFSA-N 0 0 580.979 4.508 1 0 KJAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)c3ccno3)CC2)no1 ZINC000142294513 562834155 /nfs/dbraw/zinc/83/41/55/562834155.db2.gz RDGDPEKYNKOHFV-FQEVSTJZSA-N 0 0 521.936 4.559 1 0 KJAFRN COc1cc(C(=O)NC2(C(=O)N[C@@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)cc(F)c43)CC2)on1 ZINC000142295162 562834154 /nfs/dbraw/zinc/83/41/54/562834154.db2.gz RAPDCBCRJCIZDZ-LJQANCHMSA-N 0 0 569.952 4.706 1 0 KJAFRN 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KJAFRN Cc1c2c(ccc1OS(C)(=O)=O)[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1-c1ccccc1)C2=O ZINC000142424362 562834173 /nfs/dbraw/zinc/83/41/73/562834173.db2.gz KZZCCNAVINPEKA-RUZDIDTESA-N 0 0 506.624 4.612 1 0 KJAFRN CO[C@H]1/C=C(/C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H]1/C(C)=C/c1csc(C)n1 ZINC000142695169 562834288 /nfs/dbraw/zinc/83/42/88/562834288.db2.gz HQZJRAPNHNYEMZ-UPBMFQQMSA-N 0 0 521.720 4.891 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(C)=O)ncnc2Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000142851297 562834362 /nfs/dbraw/zinc/83/43/62/562834362.db2.gz KLGKOFYRMVUFIH-UHFFFAOYSA-N 0 0 532.988 4.640 1 0 KJAFRN CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4cc(F)ccc43)nc(I)c21 ZINC000142958152 562834460 /nfs/dbraw/zinc/83/44/60/562834460.db2.gz UFDNKXQSCSXTMD-UHFFFAOYSA-N 0 0 531.304 4.519 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=S)NCC)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000142985543 562834446 /nfs/dbraw/zinc/83/44/46/562834446.db2.gz JKFAFNGFEBNHQY-UHFFFAOYSA-N 0 0 567.872 4.916 1 0 KJAFRN 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ZINC000143212403 562834774 /nfs/dbraw/zinc/83/47/74/562834774.db2.gz ZXTHZYFMZXDLIS-UHFFFAOYSA-N 0 0 534.019 4.747 1 0 KJAFRN CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@H](NC(=O)OCC)CC2 ZINC000143212927 562834747 /nfs/dbraw/zinc/83/47/47/562834747.db2.gz QEYPMLLMZVWCBE-LOSJGSFVSA-N 0 0 523.095 4.778 1 0 KJAFRN CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@H](NC(=O)OCC)CC2 ZINC000143213112 562834771 /nfs/dbraw/zinc/83/47/71/562834771.db2.gz QEYPMLLMZVWCBE-JWQCQUIFSA-N 0 0 523.095 4.778 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(N5C[C@H]6CC[C@@H](C5)O6)n4)o3)nc2s1 ZINC000143224079 562834810 /nfs/dbraw/zinc/83/48/10/562834810.db2.gz RBNOFBYJQBWEOA-GASCZTMLSA-N 0 0 525.612 4.624 1 0 KJAFRN O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccc2c(c1)OC[C@H](O)CO2 ZINC000143230331 562834789 /nfs/dbraw/zinc/83/47/89/562834789.db2.gz VDVAAGOLMLJQEY-VOIUYBSRSA-N 0 0 502.013 4.755 1 0 KJAFRN O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccc2c(c1)OC[C@@H](O)CO2 ZINC000143231188 562834819 /nfs/dbraw/zinc/83/48/19/562834819.db2.gz VDVAAGOLMLJQEY-UPCLLVRISA-N 0 0 502.013 4.755 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4nc(N5C[C@H]6CC[C@@H](C5)O6)sc4C)o3)nc2s1 ZINC000143243418 562834823 /nfs/dbraw/zinc/83/48/23/562834823.db2.gz YDLUCTVUUDEGBX-GASCZTMLSA-N 0 0 539.639 4.933 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)NCC)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000143246699 562834797 /nfs/dbraw/zinc/83/47/97/562834797.db2.gz KOVLLCNIJRZXSU-UHFFFAOYSA-N 0 0 551.804 4.751 1 0 KJAFRN Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CC[C@H](NC(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1 ZINC000143253885 562834835 /nfs/dbraw/zinc/83/48/35/562834835.db2.gz OMCLSOCJAKJXKJ-NRFANRHFSA-N 0 0 542.669 4.933 1 0 KJAFRN Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CC[C@@H](NC(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1 ZINC000143254109 562834855 /nfs/dbraw/zinc/83/48/55/562834855.db2.gz OMCLSOCJAKJXKJ-OAQYLSRUSA-N 0 0 542.669 4.933 1 0 KJAFRN COC[C@@H]1CCCN1c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc32)cs1 ZINC000143274100 562834847 /nfs/dbraw/zinc/83/48/47/562834847.db2.gz MYWNNHYCGXLFNE-HNNXBMFYSA-N 0 0 527.628 4.872 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(C)=O)ncnc2Nc1cc(Cl)c(Br)cc1F ZINC000143283810 562834839 /nfs/dbraw/zinc/83/48/39/562834839.db2.gz HCNASUOYSCKZNG-UHFFFAOYSA-N 0 0 522.762 4.568 1 0 KJAFRN COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2 ZINC000143347650 562834963 /nfs/dbraw/zinc/83/49/63/562834963.db2.gz RMGQWXVHWUUVLJ-DSUKGUNVSA-N 0 0 506.606 4.952 1 0 KJAFRN CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(C(F)(F)F)cn5)n4)c3CO)c2=O)c1 ZINC000143386173 562834979 /nfs/dbraw/zinc/83/49/79/562834979.db2.gz YKLGPENWGZKLNP-UHFFFAOYSA-N 0 0 595.557 4.757 1 0 KJAFRN CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(OC(F)(F)F)ccc43)cccc21 ZINC000143469705 562835062 /nfs/dbraw/zinc/83/50/62/562835062.db2.gz YEEFANPDTSDMJW-MRXNPFEDSA-N 0 0 500.424 4.568 1 0 KJAFRN CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(C(C)(C)O)cc5)n4)c3CO)c2=O)c1 ZINC000143497825 562835098 /nfs/dbraw/zinc/83/50/98/562835098.db2.gz GBHCSNIDZNAOLE-UHFFFAOYSA-N 0 0 584.652 4.570 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(C)=O)ncnc2Nc1ccc(Br)cc1C(F)(F)F ZINC000143524773 562835131 /nfs/dbraw/zinc/83/51/31/562835131.db2.gz NLQQNMZMFMGGET-UHFFFAOYSA-N 0 0 538.324 4.794 1 0 KJAFRN O=c1[nH]cc(Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)c(=O)[nH]1 ZINC000143569856 562835179 /nfs/dbraw/zinc/83/51/79/562835179.db2.gz ZYNFSFTWMQRRCR-UHFFFAOYSA-N 0 0 558.810 4.558 1 0 KJAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC[C@@H](c4ccccc4)C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000143573278 562835176 /nfs/dbraw/zinc/83/51/76/562835176.db2.gz GGQLAXSFEIEDKB-XUZZJYLKSA-N 0 0 525.653 4.802 1 0 KJAFRN CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c5ccc(Br)nc54)c3CO)c2=O)c1 ZINC000143585217 562835175 /nfs/dbraw/zinc/83/51/75/562835175.db2.gz OKEAWWZVAKNBQB-UHFFFAOYSA-N 0 0 564.415 4.515 1 0 KJAFRN CCCc1cnc(N2CCC([C@@H]3Cc4cc(C5CCN(S(=O)(=O)CCC)CC5)ccc4O3)CC2)nc1 ZINC000143627660 562835211 /nfs/dbraw/zinc/83/52/11/562835211.db2.gz VUSKVLRLUSEHMP-MHZLTWQESA-N 0 0 512.720 4.568 1 0 KJAFRN CCCc1cnc(N2CCC([C@H]3Cc4cc(C5CCN(S(=O)(=O)CCC)CC5)ccc4O3)CC2)nc1 ZINC000143627844 562835192 /nfs/dbraw/zinc/83/51/92/562835192.db2.gz VUSKVLRLUSEHMP-HHHXNRCGSA-N 0 0 512.720 4.568 1 0 KJAFRN Brc1c2nc(NCCCN3CCOCC3)[nH]c2c(Br)c(Br)c1Br ZINC000143674291 562835241 /nfs/dbraw/zinc/83/52/41/562835241.db2.gz VCJJALYNPXNJSZ-UHFFFAOYSA-N 0 0 575.925 4.747 1 0 KJAFRN C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000143688311 562835252 /nfs/dbraw/zinc/83/52/52/562835252.db2.gz SMCQHIAJHWTJCB-CJNGLKHVSA-N 0 0 524.902 4.874 1 0 KJAFRN C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000143688523 562835228 /nfs/dbraw/zinc/83/52/28/562835228.db2.gz AQVMWSJWLMXNJP-PBHICJAKSA-N 0 0 506.912 4.735 1 0 KJAFRN O=C(Nc1cc(-c2cccc(COC(C(F)(F)F)C(F)(F)F)c2)n(-c2ccccc2)n1)[C@@H]1CNC(=O)C1 ZINC000143727197 562835229 /nfs/dbraw/zinc/83/52/29/562835229.db2.gz HUOGGYSILUBUTD-INIZCTEOSA-N 0 0 526.437 4.624 1 0 KJAFRN CCc1nn2c(nc(C)cc2C)c1Cc1ccc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000144142003 562835834 /nfs/dbraw/zinc/83/58/34/562835834.db2.gz ZIKJVMYFESMGDP-UHFFFAOYSA-N 0 0 505.663 4.511 1 0 KJAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000144160213 562835841 /nfs/dbraw/zinc/83/58/41/562835841.db2.gz WXDGNJJCOMJRLQ-UHFFFAOYSA-N 0 0 514.508 4.952 1 0 KJAFRN CO[C@@H](COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1)c1ccccc1 ZINC000144183878 562835804 /nfs/dbraw/zinc/83/58/04/562835804.db2.gz SGDBFNAWQUFHCV-PMERELPUSA-N 0 0 563.662 4.918 1 0 KJAFRN CO[C@H](COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1)c1ccccc1 ZINC000144184074 562835821 /nfs/dbraw/zinc/83/58/21/562835821.db2.gz SGDBFNAWQUFHCV-SSEXGKCCSA-N 0 0 563.662 4.918 1 0 KJAFRN CCC[C@@H](O)[C@@H](CC)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1 ZINC000144211633 562835953 /nfs/dbraw/zinc/83/59/53/562835953.db2.gz CJGAWIALIWALNE-KCWXNJEJSA-N 0 0 557.699 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516.005 4.644 1 0 KJAFRN COCc1ccnc(-c2ccnc(Nc3cc4cc(C(=O)N5CCC(N6CCCC6=O)CC5)[nH]c4c(Cl)c3)n2)c1 ZINC000144300649 562836081 /nfs/dbraw/zinc/83/60/81/562836081.db2.gz ZBJFAVSDFWQPKA-UHFFFAOYSA-N 0 0 560.058 4.790 1 0 KJAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2Br)c1 ZINC000144364070 562836180 /nfs/dbraw/zinc/83/61/80/562836180.db2.gz FXJRSQCZSIOFJL-UHFFFAOYSA-N 0 0 566.460 4.528 1 0 KJAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCC[C@@H]3CCOC3)cc2NC(=O)c2ccco2)CC1 ZINC000144370761 562836177 /nfs/dbraw/zinc/83/61/77/562836177.db2.gz GGRKYOFRZUJYAP-HSZRJFAPSA-N 0 0 516.642 4.713 1 0 KJAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCC[C@H]3CCOC3)cc2NC(=O)c2ccco2)CC1 ZINC000144370977 562836198 /nfs/dbraw/zinc/83/61/98/562836198.db2.gz GGRKYOFRZUJYAP-QHCPKHFHSA-N 0 0 516.642 4.713 1 0 KJAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2csc(C3CC3)n2)CC1 ZINC000144384821 562836200 /nfs/dbraw/zinc/83/62/00/562836200.db2.gz XPJAETGLDGZNQS-UHFFFAOYSA-N 0 0 586.762 4.650 1 0 KJAFRN O=C(Nc1cc(C(=O)NCCCN2CCCC2=O)ccc1N1CCN(c2ccccc2C(F)(F)F)CC1)c1coc(C2CC2)n1 ZINC000144389333 562836199 /nfs/dbraw/zinc/83/61/99/562836199.db2.gz WYLZHPLJOPBGFH-UHFFFAOYSA-N 0 0 624.664 4.892 1 0 KJAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)C[C@H]1C ZINC000144392021 562836174 /nfs/dbraw/zinc/83/61/74/562836174.db2.gz JFJRUBXTYITQKL-HSZRJFAPSA-N 0 0 584.721 4.570 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC ZINC000144402038 562836217 /nfs/dbraw/zinc/83/62/17/562836217.db2.gz DMPHLSBWKJKTKF-AMDXRBSFSA-N 0 0 544.652 4.552 1 0 KJAFRN COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC ZINC000144402896 562836223 /nfs/dbraw/zinc/83/62/23/562836223.db2.gz DMPHLSBWKJKTKF-BUUDZMLXSA-N 0 0 544.652 4.552 1 0 KJAFRN CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(OC(F)(F)F)ccc43)cc2NC1=O ZINC000144451619 562836209 /nfs/dbraw/zinc/83/62/09/562836209.db2.gz CKIWFKAPOYAKEK-QGZVFWFLSA-N 0 0 500.424 4.886 1 0 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/nfs/dbraw/zinc/83/75/81/562837581.db2.gz FWBUUGDBUKHCQX-UHFFFAOYSA-N 0 0 609.606 4.555 1 0 KJAFRN COc1cc(-c2cn([C@@H]3CCc4ccccc4N(Cc4ccncc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000145871766 562837733 /nfs/dbraw/zinc/83/77/33/562837733.db2.gz NQDZFOKVKVPDTE-HHHXNRCGSA-N 0 0 505.582 4.564 1 0 KJAFRN COc1cc(-c2cn([C@H]3CCc4ccccc4N(Cc4ccncc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000145871978 562837684 /nfs/dbraw/zinc/83/76/84/562837684.db2.gz NQDZFOKVKVPDTE-MHZLTWQESA-N 0 0 505.582 4.564 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccccc1F)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145885099 562837693 /nfs/dbraw/zinc/83/76/93/562837693.db2.gz CSQYZIGSGXLNFY-CYBMUJFWSA-N 0 0 513.488 4.837 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccccc1F)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145885320 562837718 /nfs/dbraw/zinc/83/77/18/562837718.db2.gz CSQYZIGSGXLNFY-ZDUSSCGKSA-N 0 0 513.488 4.837 1 0 KJAFRN CN1C(=N)N[C@@]2(CC1=O)c1cc(-c3cccnc3F)ccc1Oc1c(F)nc(C3=CC(C)(C)OCC3)cc12 ZINC000145910985 562837794 /nfs/dbraw/zinc/83/77/94/562837794.db2.gz KBEYOWOIEWSHOJ-NDEPHWFRSA-N 0 0 517.536 4.530 1 0 KJAFRN COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000145919083 562837754 /nfs/dbraw/zinc/83/77/54/562837754.db2.gz MMLUIEWPMOMHME-AWEZNQCLSA-N 0 0 525.524 4.707 1 0 KJAFRN COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000145919266 562837792 /nfs/dbraw/zinc/83/77/92/562837792.db2.gz MMLUIEWPMOMHME-CQSZACIVSA-N 0 0 525.524 4.707 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145950966 562837748 /nfs/dbraw/zinc/83/77/48/562837748.db2.gz VXQMHKKUPNLERH-MOPGFXCFSA-N 0 0 606.552 4.537 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1OC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145954803 562837777 /nfs/dbraw/zinc/83/77/77/562837777.db2.gz RMIMDDNLJHJWMV-CQSZACIVSA-N 0 0 502.530 4.957 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1OC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145954991 562837783 /nfs/dbraw/zinc/83/77/83/562837783.db2.gz RMIMDDNLJHJWMV-AWEZNQCLSA-N 0 0 502.530 4.957 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145955671 562837767 /nfs/dbraw/zinc/83/77/67/562837767.db2.gz DXJIHLGUZNIDLJ-MOPGFXCFSA-N 0 0 573.547 4.941 1 0 KJAFRN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145956287 562837803 /nfs/dbraw/zinc/83/78/03/562837803.db2.gz DXJIHLGUZNIDLJ-RTBURBONSA-N 0 0 573.547 4.941 1 0 KJAFRN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145956475 562837795 /nfs/dbraw/zinc/83/77/95/562837795.db2.gz DXJIHLGUZNIDLJ-RBUKOAKNSA-N 0 0 573.547 4.941 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCN(C)C[C@@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145956687 562837751 /nfs/dbraw/zinc/83/77/51/562837751.db2.gz DXJIHLGUZNIDLJ-OALUTQOASA-N 0 0 573.547 4.941 1 0 KJAFRN COc1cc(C(=O)NC2CCOCC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)OC3)n1 ZINC000145967341 562837856 /nfs/dbraw/zinc/83/78/56/562837856.db2.gz AJBNUYYKKOWYHI-UHFFFAOYSA-N 0 0 544.486 4.619 1 0 KJAFRN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145980885 562837881 /nfs/dbraw/zinc/83/78/81/562837881.db2.gz VXQMHKKUPNLERH-RBUKOAKNSA-N 0 0 606.552 4.537 1 0 KJAFRN COc1cc(O[C@H]2CCOC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146001428 562837894 /nfs/dbraw/zinc/83/78/94/562837894.db2.gz WUSYQGLFVJQWIW-INIZCTEOSA-N 0 0 516.476 4.793 1 0 KJAFRN COc1cc(C(=O)NC[C@@H]2CCCO2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146019976 562837940 /nfs/dbraw/zinc/83/79/40/562837940.db2.gz SZXUAUWRVPAIKV-HNNXBMFYSA-N 0 0 575.519 4.673 1 0 KJAFRN CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(C(=O)c1ccsn1)CC2 ZINC000146022643 562837976 /nfs/dbraw/zinc/83/79/76/562837976.db2.gz PUKXVGNSCKHPOT-UHFFFAOYSA-N 0 0 502.575 4.725 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146032650 562837980 /nfs/dbraw/zinc/83/79/80/562837980.db2.gz OMZXIOVMQBHJLZ-MOPGFXCFSA-N 0 0 589.455 4.686 1 0 KJAFRN COc1cc(C(=O)N(C)C)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146041114 562838033 /nfs/dbraw/zinc/83/80/33/562838033.db2.gz VSQXBPCOYYTTIC-UHFFFAOYSA-N 0 0 515.492 4.636 1 0 KJAFRN COc1cc(C(=O)NC2CCOCC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146047337 562838053 /nfs/dbraw/zinc/83/80/53/562838053.db2.gz NIGZZZOIVYBJAP-UHFFFAOYSA-N 0 0 557.529 4.534 1 0 KJAFRN COc1cc(C(=O)NCC2CC2)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146048281 562838042 /nfs/dbraw/zinc/83/80/42/562838042.db2.gz ZMVAWMFJEYHNBB-UHFFFAOYSA-N 0 0 507.978 4.708 1 0 KJAFRN COc1cc(C(=O)NC[C@H]2CCCO2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146049135 562838020 /nfs/dbraw/zinc/83/80/20/562838020.db2.gz SZXUAUWRVPAIKV-OAHLLOKOSA-N 0 0 575.519 4.673 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146055495 562838004 /nfs/dbraw/zinc/83/80/04/562838004.db2.gz GXZIIUFTWRYLBH-XMCHAPAWSA-N 0 0 587.027 4.732 1 0 KJAFRN O=C(OC[C@H]1O[C@@H](n2ncc(Cl)c(Cl)c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000146057885 562838024 /nfs/dbraw/zinc/83/80/24/562838024.db2.gz VQUAAIZZJRYXKQ-LYPBTDJXSA-N 0 0 609.418 4.756 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146058024 562838046 /nfs/dbraw/zinc/83/80/46/562838046.db2.gz GXZIIUFTWRYLBH-KPOBHBOGSA-N 0 0 587.027 4.732 1 0 KJAFRN COc1cc(C(=O)NC2CCOCC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000146064385 562838068 /nfs/dbraw/zinc/83/80/68/562838068.db2.gz ZYQANICRSOMDBG-UHFFFAOYSA-N 0 0 591.518 4.605 1 0 KJAFRN CC(=O)N1CCC(NC(=O)c2ccc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C5)n3)c(C)c2)CC1 ZINC000146068139 562838062 /nfs/dbraw/zinc/83/80/62/562838062.db2.gz NWZMXHDHMKIWQB-UHFFFAOYSA-N 0 0 582.583 4.666 1 0 KJAFRN COc1cc(/C=C/C(=O)N(C)C)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146089606 562838261 /nfs/dbraw/zinc/83/82/61/562838261.db2.gz NEJLMODEIPZFTN-PKNBQFBNSA-N 0 0 527.503 4.727 1 0 KJAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)NC)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000146099516 562838284 /nfs/dbraw/zinc/83/82/84/562838284.db2.gz QBKCKCBRLDNUCY-UHFFFAOYSA-N 0 0 570.576 4.577 1 0 KJAFRN CN1C(=N)N[C@@]2(CC1=O)c1cc(-c3cccnc3F)ccc1Oc1c(F)nc([C@@H]3CCOC(C)(C)C3)cc12 ZINC000146114575 562838262 /nfs/dbraw/zinc/83/82/62/562838262.db2.gz BMQGFQMPZPIYKV-HJWYETAXSA-N 0 0 519.552 4.621 1 0 KJAFRN CN1C(=N)N[C@@]2(CC1=O)c1cc(-c3cccnc3F)ccc1Oc1c(F)nc([C@H]3CCOC(C)(C)C3)cc12 ZINC000146114774 562838277 /nfs/dbraw/zinc/83/82/77/562838277.db2.gz BMQGFQMPZPIYKV-OLRZCDJHSA-N 0 0 519.552 4.621 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146124639 562838294 /nfs/dbraw/zinc/83/82/94/562838294.db2.gz IATUAOIRJUINQS-OAHLLOKOSA-N 0 0 541.979 4.879 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146124834 562838280 /nfs/dbraw/zinc/83/82/80/562838280.db2.gz IATUAOIRJUINQS-HNNXBMFYSA-N 0 0 541.979 4.879 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCN(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146133702 562838247 /nfs/dbraw/zinc/83/82/47/562838247.db2.gz HBQMBNWONPXMOF-GOSISDBHSA-N 0 0 596.075 4.627 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCN(c2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146133882 562838269 /nfs/dbraw/zinc/83/82/69/562838269.db2.gz HBQMBNWONPXMOF-SFHVURJKSA-N 0 0 596.075 4.627 1 0 KJAFRN CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000146152105 562838327 /nfs/dbraw/zinc/83/83/27/562838327.db2.gz MUYQAYNWVDOGRG-UHFFFAOYSA-N 0 0 535.576 4.913 1 0 KJAFRN COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cc(C)nc1C ZINC000146204304 562838340 /nfs/dbraw/zinc/83/83/40/562838340.db2.gz KGPFQQPWYSPTJE-QHCPKHFHSA-N 0 0 528.510 4.978 1 0 KJAFRN Cc1ccc(NC(=O)CCC(F)(F)F)cc1N1CCc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2C1 ZINC000146219387 562838322 /nfs/dbraw/zinc/83/83/22/562838322.db2.gz NEKBJPNERWJTIC-UHFFFAOYSA-N 0 0 581.643 4.760 1 0 KJAFRN COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1F ZINC000146286438 562838444 /nfs/dbraw/zinc/83/84/44/562838444.db2.gz XCCVLMJETQIWTD-ZDUSSCGKSA-N 0 0 543.514 4.846 1 0 KJAFRN COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1F ZINC000146286628 562838425 /nfs/dbraw/zinc/83/84/25/562838425.db2.gz XCCVLMJETQIWTD-CYBMUJFWSA-N 0 0 543.514 4.846 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1C[C@H](C)C[C@H](C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146287241 562838416 /nfs/dbraw/zinc/83/84/16/562838416.db2.gz NSZSMGKDRBJQGV-OWCLPIDISA-N 0 0 547.043 4.783 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1C[C@H](C)C[C@H](C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146287437 562838459 /nfs/dbraw/zinc/83/84/59/562838459.db2.gz NSZSMGKDRBJQGV-XHSDSOJGSA-N 0 0 547.043 4.783 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1C[C@H](C)C[C@@H](C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146287626 562838441 /nfs/dbraw/zinc/83/84/41/562838441.db2.gz NSZSMGKDRBJQGV-BZUAXINKSA-N 0 0 547.043 4.783 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1C[C@H](C)C[C@@H](C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146287812 562838433 /nfs/dbraw/zinc/83/84/33/562838433.db2.gz NSZSMGKDRBJQGV-OAGGEKHMSA-N 0 0 547.043 4.783 1 0 KJAFRN CC[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146289938 562838455 /nfs/dbraw/zinc/83/84/55/562838455.db2.gz LXVYGNQYTGZEHW-GOSISDBHSA-N 0 0 530.588 4.657 1 0 KJAFRN CC[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146290116 562838431 /nfs/dbraw/zinc/83/84/31/562838431.db2.gz LXVYGNQYTGZEHW-SFHVURJKSA-N 0 0 530.588 4.657 1 0 KJAFRN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(=O)NC)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000146302643 562838428 /nfs/dbraw/zinc/83/84/28/562838428.db2.gz OZBXOHUAVAGHLZ-UHFFFAOYSA-N 0 0 571.560 4.626 1 0 KJAFRN Cc1cc(C(F)(F)F)nc(OC2CCCC2)c1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146315445 562838450 /nfs/dbraw/zinc/83/84/50/562838450.db2.gz DGZRVBPZZBKYCP-CQSZACIVSA-N 0 0 517.545 4.661 1 0 KJAFRN Cc1cc(C(F)(F)F)nc(OC2CCCC2)c1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146315643 562838412 /nfs/dbraw/zinc/83/84/12/562838412.db2.gz DGZRVBPZZBKYCP-AWEZNQCLSA-N 0 0 517.545 4.661 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(N(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146384889 562838517 /nfs/dbraw/zinc/83/85/17/562838517.db2.gz YOVNQZZUYSUOCG-OAHLLOKOSA-N 0 0 538.567 4.764 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(N(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146385095 562838546 /nfs/dbraw/zinc/83/85/46/562838546.db2.gz YOVNQZZUYSUOCG-HNNXBMFYSA-N 0 0 538.567 4.764 1 0 KJAFRN CCOC1CN(c2nc(-c3c4c(C)n[nH]c4ccc3C)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)C1 ZINC000146426765 562838533 /nfs/dbraw/zinc/83/85/33/562838533.db2.gz ZZWVAWBEPKEXNQ-UHFFFAOYSA-N 0 0 533.080 4.689 1 0 KJAFRN COC1C[C@H]2CC[C@@H](C1)N2c1nc2scc(-c3ccccc3Cl)c2c(N2CCC[C@H](C(N)=O)C2)n1 ZINC000146451149 562838562 /nfs/dbraw/zinc/83/85/62/562838562.db2.gz YJYPRTOFPMGXOA-XNHLSEOASA-N 0 0 512.079 4.860 1 0 KJAFRN COC1C[C@H]2CC[C@@H](C1)N2c1nc(N2CCC[C@H](C(N)=O)C2)nc2scc(-c3ccccc3Cl)c21 ZINC000146543273 562838692 /nfs/dbraw/zinc/83/86/92/562838692.db2.gz XKBYIUCEHMKORJ-XNHLSEOASA-N 0 0 512.079 4.860 1 0 KJAFRN Cc1cc(C(F)(F)F)nc(N2CCC(C)CC2)c1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146564257 562838704 /nfs/dbraw/zinc/83/87/04/562838704.db2.gz VCLLNCAOTWTCDF-MRXNPFEDSA-N 0 0 530.588 4.576 1 0 KJAFRN Cc1cc(C(F)(F)F)nc(N2CCC(C)CC2)c1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146564456 562838721 /nfs/dbraw/zinc/83/87/21/562838721.db2.gz VCLLNCAOTWTCDF-INIZCTEOSA-N 0 0 530.588 4.576 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146580998 562838743 /nfs/dbraw/zinc/83/87/43/562838743.db2.gz WUWWDKOTAMMDBG-OAHLLOKOSA-N 0 0 541.542 4.955 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146581206 562838714 /nfs/dbraw/zinc/83/87/14/562838714.db2.gz WUWWDKOTAMMDBG-HNNXBMFYSA-N 0 0 541.542 4.955 1 0 KJAFRN CN1C(=N)N[C@@]2(CC1=O)c1cc(-c3cccnc3F)ccc1Oc1c(F)nc(C3=CCOC(C)(C)C3)cc12 ZINC000146613522 562838706 /nfs/dbraw/zinc/83/87/06/562838706.db2.gz BLYFFBGBWQNOHK-NDEPHWFRSA-N 0 0 517.536 4.530 1 0 KJAFRN COc1cc(-c2cn([C@@]3(C)CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146723388 562838764 /nfs/dbraw/zinc/83/87/64/562838764.db2.gz PJNQFGKOVMHLON-VWLOTQADSA-N 0 0 510.520 4.705 1 0 KJAFRN COc1cc(-c2cn([C@@H]3CCc4ccccc4N(Cc4ccccn4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146770158 562838772 /nfs/dbraw/zinc/83/87/72/562838772.db2.gz SYTQVBJCLATNKI-HHHXNRCGSA-N 0 0 505.582 4.564 1 0 KJAFRN COc1cc(-c2cn([C@H]3CCc4ccccc4N(Cc4ccccn4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146770345 562838778 /nfs/dbraw/zinc/83/87/78/562838778.db2.gz SYTQVBJCLATNKI-MHZLTWQESA-N 0 0 505.582 4.564 1 0 KJAFRN O=S(=O)(Nc1ccncn1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2Br)C1 ZINC000146893175 562838905 /nfs/dbraw/zinc/83/89/05/562838905.db2.gz OSFBKXXIDNUQDG-UHFFFAOYSA-N 0 0 513.339 4.640 1 0 KJAFRN Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3ccccc3C(F)(F)F)CC4)c12 ZINC000146927978 562838901 /nfs/dbraw/zinc/83/89/01/562838901.db2.gz AZZXOFIFLJGAPU-LJQANCHMSA-N 0 0 563.628 4.511 1 0 KJAFRN CO[C@@H]1CCN(c2nc(-c3c4c(C)n[nH]c4ccc3C)nc3c2CN(c2cc(C4CC4)nn2C)CC3)[C@H](C)C1 ZINC000146928453 562838899 /nfs/dbraw/zinc/83/88/99/562838899.db2.gz JYJHJUXNKGZYIA-WIYYLYMNSA-N 0 0 526.689 4.814 1 0 KJAFRN Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)C[C@H]5C)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000146928874 562838967 /nfs/dbraw/zinc/83/89/67/562838967.db2.gz ZBJLIWSNVXTJAY-HSZRJFAPSA-N 0 0 551.739 4.924 1 0 KJAFRN Cc1n[nH]c2ccc(C)c(-c3nc4c(c(N5CCOC[C@H]5C)n3)CN(c3c(Cl)c(C5CC5)nn3C)CC4)c12 ZINC000146932936 562838963 /nfs/dbraw/zinc/83/89/63/562838963.db2.gz OBGVINSDXJWADZ-MRXNPFEDSA-N 0 0 533.080 4.689 1 0 KJAFRN Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)c(F)c2)cn1 ZINC000146961225 562838923 /nfs/dbraw/zinc/83/89/23/562838923.db2.gz SSGASXGCLWSXML-QFIPXVFZSA-N 0 0 502.447 4.800 1 0 KJAFRN Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3cc(C(C)C)ccc3C)CC4)c12 ZINC000146961798 562838952 /nfs/dbraw/zinc/83/89/52/562838952.db2.gz GPZWVOIBIRGXRF-HSZRJFAPSA-N 0 0 551.739 4.924 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ncccc2Cl)C[C@@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146976309 562838980 /nfs/dbraw/zinc/83/89/80/562838980.db2.gz GNJFRVOGJVVKPG-DLBZAZTESA-N 0 0 629.080 4.794 1 0 KJAFRN COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1OC ZINC000146991456 562838996 /nfs/dbraw/zinc/83/89/96/562838996.db2.gz CDECHYVRWZULGT-AWEZNQCLSA-N 0 0 555.550 4.715 1 0 KJAFRN COc1ccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1OC ZINC000146991614 562839010 /nfs/dbraw/zinc/83/90/10/562839010.db2.gz CDECHYVRWZULGT-CQSZACIVSA-N 0 0 555.550 4.715 1 0 KJAFRN CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(CN4CCOCC4)cc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000147080024 562839115 /nfs/dbraw/zinc/83/91/15/562839115.db2.gz JSOMMMZPVKOOPH-YALZGCRRSA-N 0 0 613.803 4.613 1 0 KJAFRN O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnc(N5CC(F)(F)C5)nc4)ccn32)c1 ZINC000147102541 562839099 /nfs/dbraw/zinc/83/90/99/562839099.db2.gz GXICWTBOIKQMNI-UHFFFAOYSA-N 0 0 503.435 4.597 1 0 KJAFRN C[N@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2nc[n-]s2)C3)CC1 ZINC000147112795 562839094 /nfs/dbraw/zinc/83/90/94/562839094.db2.gz MAPAFEPDZXCYDA-UHFFFAOYSA-N 0 0 535.617 4.658 1 0 KJAFRN Cc1nn(C)c(C)c1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000147172445 562839175 /nfs/dbraw/zinc/83/91/75/562839175.db2.gz KRQGXYTUMWTZNV-QFIPXVFZSA-N 0 0 510.641 4.831 1 0 KJAFRN Cc1nn(C)c(C)c1S(=O)(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000147172636 562839201 /nfs/dbraw/zinc/83/92/01/562839201.db2.gz KRQGXYTUMWTZNV-JOCHJYFZSA-N 0 0 510.641 4.831 1 0 KJAFRN O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(NC5CCOCC5)nn4)ccn32)c1 ZINC000147303216 562839216 /nfs/dbraw/zinc/83/92/16/562839216.db2.gz CAOCDMLYMRBCPT-UHFFFAOYSA-N 0 0 511.508 4.733 1 0 KJAFRN COc1cc(-c2cn([C@]3(C)CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147357339 562839260 /nfs/dbraw/zinc/83/92/60/562839260.db2.gz PJNQFGKOVMHLON-RUZDIDTESA-N 0 0 510.520 4.705 1 0 KJAFRN O=S(=O)([N-]c1nccs1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC000147450935 562839372 /nfs/dbraw/zinc/83/93/72/562839372.db2.gz NQZAAMMOPYGFGF-UHFFFAOYSA-N 0 0 520.602 4.921 1 0 KJAFRN Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cccc2c1CCN(S(=O)(=O)N=c1[nH]ccs1)C2 ZINC000147574516 562839455 /nfs/dbraw/zinc/83/94/55/562839455.db2.gz NORLXSKHKCEGDU-UHFFFAOYSA-N 0 0 519.574 4.944 1 0 KJAFRN Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cc2F)cn1 ZINC000147576716 562839457 /nfs/dbraw/zinc/83/94/57/562839457.db2.gz SRZFYIWAAUXLMD-QFIPXVFZSA-N 0 0 502.447 4.800 1 0 KJAFRN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4cccc(C(C)=O)c4)c3c2)C1 ZINC000147661518 562839474 /nfs/dbraw/zinc/83/94/74/562839474.db2.gz IMHBDHRMVIGDPI-JOCHJYFZSA-N 0 0 500.574 4.975 1 0 KJAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000147682356 562839498 /nfs/dbraw/zinc/83/94/98/562839498.db2.gz KDZSFXWPPAMNQE-OAHLLOKOSA-N 0 0 533.016 4.537 1 0 KJAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000147682525 562839493 /nfs/dbraw/zinc/83/94/93/562839493.db2.gz KDZSFXWPPAMNQE-HNNXBMFYSA-N 0 0 533.016 4.537 1 0 KJAFRN O=S(=O)(c1ccc(N2CCOCC2)nc1)N(Cc1ccc(F)c(C(F)(F)F)c1)c1nc2ccccn2c1Cl ZINC000147687898 562839517 /nfs/dbraw/zinc/83/95/17/562839517.db2.gz DIGFBNGDELDALI-UHFFFAOYSA-N 0 0 569.968 4.773 1 0 KJAFRN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccc(F)cn3c2C)cc1 ZINC000147692836 562839526 /nfs/dbraw/zinc/83/95/26/562839526.db2.gz ZHIGCHYUOLYTQB-UHFFFAOYSA-N 0 0 537.491 4.863 1 0 KJAFRN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4cccc(NC(C)=O)c4)c3c2)C1 ZINC000147763322 562839573 /nfs/dbraw/zinc/83/95/73/562839573.db2.gz YLASNRANJIGRRP-JOCHJYFZSA-N 0 0 515.589 4.730 1 0 KJAFRN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nsnc5c4)c3c2)C1 ZINC000147766064 562839588 /nfs/dbraw/zinc/83/95/88/562839588.db2.gz JIMBVFGBHMURTA-GOSISDBHSA-N 0 0 516.602 4.777 1 0 KJAFRN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C(F)(F)F)nn5c4)c3c2)C1 ZINC000147767711 562839548 /nfs/dbraw/zinc/83/95/48/562839548.db2.gz FFRHYIGALQAZAY-GOSISDBHSA-N 0 0 567.547 4.834 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CC[C@H]1C(=O)N1CCC(F)(F)CC1 ZINC000147772692 562839568 /nfs/dbraw/zinc/83/95/68/562839568.db2.gz HNGTWDOZZSMDSF-AMGIVPHBSA-N 0 0 606.649 4.793 1 0 KJAFRN COc1cccc(F)c1CN1CCC[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5c(c4)CCO5)c3c2)C1 ZINC000147777742 562839600 /nfs/dbraw/zinc/83/96/00/562839600.db2.gz ADVILSOHORXWPG-NRFANRHFSA-N 0 0 500.574 4.707 1 0 KJAFRN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5c(c4)CCO5)c3c2)C1 ZINC000147777951 562839552 /nfs/dbraw/zinc/83/95/52/562839552.db2.gz ADVILSOHORXWPG-OAQYLSRUSA-N 0 0 500.574 4.707 1 0 KJAFRN CC(=O)n1cc(CN2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)C2)c2ccccc21 ZINC000147779402 562839606 /nfs/dbraw/zinc/83/96/06/562839606.db2.gz DGYRJTQFTQOJOG-XMMPIXPASA-N 0 0 506.610 4.943 1 0 KJAFRN O=C(N[C@H]1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1 ZINC000147787037 562839691 /nfs/dbraw/zinc/83/96/91/562839691.db2.gz DNXJDJCZMLVDBS-GOSISDBHSA-N 0 0 522.506 4.795 1 0 KJAFRN CC(=O)Nc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5c(F)cccc5F)C4)cc32)ccc1O ZINC000147794364 562839663 /nfs/dbraw/zinc/83/96/63/562839663.db2.gz RPEVBARUGCTMIH-LJQANCHMSA-N 0 0 519.552 4.567 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)CC(F)(F)C1 ZINC000147800894 562839626 /nfs/dbraw/zinc/83/96/26/562839626.db2.gz WZQMICRBNPTVAG-LJQANCHMSA-N 0 0 534.542 4.665 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C[C@H](C)C1 ZINC000147807365 562839646 /nfs/dbraw/zinc/83/96/46/562839646.db2.gz PQSHODILBAUMMD-PGRDOPGGSA-N 0 0 526.616 4.905 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](C)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147807646 562839652 /nfs/dbraw/zinc/83/96/52/562839652.db2.gz ASIWKZTWSNQNMM-WIYYLYMNSA-N 0 0 512.589 4.666 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C[C@H](C)C1 ZINC000147808355 562839637 /nfs/dbraw/zinc/83/96/37/562839637.db2.gz ASIWKZTWSNQNMM-GHTZIAJQSA-N 0 0 512.589 4.666 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CC[C@H]1C(=O)N1CCCCC1 ZINC000147831437 562839759 /nfs/dbraw/zinc/83/97/59/562839759.db2.gz ROTSIKVGLFJOFD-LXFBAYGMSA-N 0 0 570.669 4.548 1 0 KJAFRN COc1cc(-c2cn([C@@H]3CCc4cc(F)ccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000148028616 562839919 /nfs/dbraw/zinc/83/99/19/562839919.db2.gz CBPJZDLIEBEKGB-JOCHJYFZSA-N 0 0 514.483 4.670 1 0 KJAFRN COc1cc(-c2cn([C@H]3CCc4cc(F)ccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000148028798 562839880 /nfs/dbraw/zinc/83/98/80/562839880.db2.gz CBPJZDLIEBEKGB-QFIPXVFZSA-N 0 0 514.483 4.670 1 0 KJAFRN CN1CCN(c2nc(N)c3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4Br)c3n2)CC1 ZINC000148035356 562839900 /nfs/dbraw/zinc/83/99/00/562839900.db2.gz APHLHNUTZHNQSU-UHFFFAOYSA-N 0 0 602.419 4.531 1 0 KJAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(c4ncccn4)CC3)nc12 ZINC000148049194 562840040 /nfs/dbraw/zinc/84/00/40/562840040.db2.gz CBKAGVQZYLHGCJ-UHFFFAOYSA-N 0 0 615.624 4.832 1 0 KJAFRN Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C)CC3)nc12 ZINC000148051766 562840036 /nfs/dbraw/zinc/84/00/36/562840036.db2.gz MLAJHTYPPKIQDK-UHFFFAOYSA-N 0 0 571.995 4.730 1 0 KJAFRN Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5c(N)nc(N6CCN(C)CC6)nc45)c3)cc(C(F)(F)F)c2)cn1 ZINC000148052019 562840048 /nfs/dbraw/zinc/84/00/48/562840048.db2.gz ZAQQBZRRNFYEPS-UHFFFAOYSA-N 0 0 617.640 4.571 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148059151 562840068 /nfs/dbraw/zinc/84/00/68/562840068.db2.gz IMTWMMIPKSDWGY-UHFFFAOYSA-N 0 0 552.561 4.503 1 0 KJAFRN CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(Cl)ccc12 ZINC000148060468 562840060 /nfs/dbraw/zinc/84/00/60/562840060.db2.gz MKJHICIQLREFDS-IERDGZPVSA-N 0 0 508.352 4.545 1 0 KJAFRN NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@H](c2cccc(Cl)c2)C(F)(F)F)c2ccccc21 ZINC000148062425 562840095 /nfs/dbraw/zinc/84/00/95/562840095.db2.gz SMDVDBWXSFPCME-MDASCCDHSA-N 0 0 525.890 4.586 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N5CCN(C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148065154 562840066 /nfs/dbraw/zinc/84/00/66/562840066.db2.gz XSBVJTDLAUYABD-UHFFFAOYSA-N 0 0 572.979 4.848 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000148065837 562840100 /nfs/dbraw/zinc/84/01/00/562840100.db2.gz VGEIKRTYOOHUQV-UHFFFAOYSA-N 0 0 559.936 4.933 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(NCCN5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000148066536 562840084 /nfs/dbraw/zinc/84/00/84/562840084.db2.gz NYDMSRZJHZBWLU-UHFFFAOYSA-N 0 0 603.005 4.841 1 0 KJAFRN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4ccc(OC)c(C(F)(F)F)c4)ccc3OC)c2n1 ZINC000148067186 562840096 /nfs/dbraw/zinc/84/00/96/562840096.db2.gz LSQRVPWHFZBACE-UHFFFAOYSA-N 0 0 557.533 4.534 1 0 KJAFRN COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCCN3CCOCC3)nc21 ZINC000148070063 562840140 /nfs/dbraw/zinc/84/01/40/562840140.db2.gz XAIUROGDXZXZIG-UHFFFAOYSA-N 0 0 612.613 4.586 1 0 KJAFRN COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C)nc21 ZINC000148072173 562840129 /nfs/dbraw/zinc/84/01/29/562840129.db2.gz ZOJHZIAYGZTZMV-UHFFFAOYSA-N 0 0 513.480 4.518 1 0 KJAFRN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4ccc(OC)c(C(F)(F)F)c4)ccc3F)c2n1 ZINC000148072633 562840127 /nfs/dbraw/zinc/84/01/27/562840127.db2.gz BLVRCNNHMBQIIT-UHFFFAOYSA-N 0 0 545.497 4.665 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NCCCN5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000148074219 562840136 /nfs/dbraw/zinc/84/01/36/562840136.db2.gz QDYXTNISNZCBMO-UHFFFAOYSA-N 0 0 600.577 4.716 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N(C)C)nc43)c2)cc1C(F)(F)F ZINC000148075578 562840130 /nfs/dbraw/zinc/84/01/30/562840130.db2.gz ODPDCUMEIBEKGY-UHFFFAOYSA-N 0 0 501.444 4.648 1 0 KJAFRN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C(F)(F)F)c2n1 ZINC000148080050 562840178 /nfs/dbraw/zinc/84/01/78/562840178.db2.gz CUVRVFIRATXZLG-UHFFFAOYSA-N 0 0 544.538 4.803 1 0 KJAFRN COC[C@H](Cc1ccccc1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1 ZINC000148082103 562840155 /nfs/dbraw/zinc/84/01/55/562840155.db2.gz VYNJKWJVBAWBKY-QFIPXVFZSA-N 0 0 506.562 4.969 1 0 KJAFRN NC(=O)n1cc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccc(Br)cc21 ZINC000148082129 562840173 /nfs/dbraw/zinc/84/01/73/562840173.db2.gz YAMYFRCVEDKJRP-KRWDZBQOSA-N 0 0 554.323 4.864 1 0 KJAFRN CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(NCCCN5CCOCC5)nc43)c2)no1 ZINC000148082336 562840169 /nfs/dbraw/zinc/84/01/69/562840169.db2.gz IWTAJWUYPGRVMC-UHFFFAOYSA-N 0 0 599.618 4.854 1 0 KJAFRN CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CCOCC5)nc43)c2)no1 ZINC000148082772 562840165 /nfs/dbraw/zinc/84/01/65/562840165.db2.gz WKFKKLVSYVFGPR-UHFFFAOYSA-N 0 0 542.522 4.557 1 0 KJAFRN CCc1ccc2c(NC(=O)N3CCC[C@H]3C(=O)Nc3cccc(OC(F)(F)F)c3)cn(C(N)=O)c2c1 ZINC000148095867 562840192 /nfs/dbraw/zinc/84/01/92/562840192.db2.gz QHQYARJPYMCENS-IBGZPJMESA-N 0 0 503.481 4.664 1 0 KJAFRN CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OCc3ccccn3)cc12 ZINC000148099035 562840236 /nfs/dbraw/zinc/84/02/36/562840236.db2.gz PYWRIKUXPURKIJ-HRFSGMKKSA-N 0 0 581.019 4.866 1 0 KJAFRN COc1ccc(CCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C[NH+]3CCC(F)CC3)cc2)c1 ZINC000148125759 562840257 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/nfs/dbraw/zinc/84/05/28/562840528.db2.gz VNINXOBFQZMSLE-UHFFFAOYSA-N 0 0 540.672 4.782 1 0 KJAFRN Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2cnc(N3CC[C@@H](F)C3)nc21 ZINC000148213775 562840554 /nfs/dbraw/zinc/84/05/54/562840554.db2.gz LPXBDOMYGQFJNI-LJQANCHMSA-N 0 0 525.510 4.969 1 0 KJAFRN CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(F)(F)F)ccc12 ZINC000148221522 562840595 /nfs/dbraw/zinc/84/05/95/562840595.db2.gz GJKQMMIIBIMVJQ-VFNWGFHPSA-N 0 0 557.903 4.790 1 0 KJAFRN COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[C@H](F)C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000148234700 562840662 /nfs/dbraw/zinc/84/06/62/562840662.db2.gz DFDWESWTULTJCB-FQEVSTJZSA-N 0 0 622.727 4.950 1 0 KJAFRN Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148235190 562840660 /nfs/dbraw/zinc/84/06/60/562840660.db2.gz YTMRMRQDKSKBON-UHFFFAOYSA-N 0 0 540.525 4.634 1 0 KJAFRN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCN(C)CC4)nc32)c1 ZINC000148235661 562840645 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BPQNAQGPGRIRCS-UHFFFAOYSA-N 0 0 509.492 4.580 1 0 KJAFRN Cc1ccc(C(=O)NCc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148245158 562840681 /nfs/dbraw/zinc/84/06/81/562840681.db2.gz AQWVZQNQWQTCKL-UHFFFAOYSA-N 0 0 511.630 4.536 1 0 KJAFRN Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148245369 562840680 /nfs/dbraw/zinc/84/06/80/562840680.db2.gz BECUCQOGFHKHCC-UHFFFAOYSA-N 0 0 515.525 4.585 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148252378 562840730 /nfs/dbraw/zinc/84/07/30/562840730.db2.gz CMTLDJKXZSJZFE-INIZCTEOSA-N 0 0 512.471 4.686 1 0 KJAFRN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N[C@@H]4CCOC4)nc32)c1 ZINC000148252669 562840748 /nfs/dbraw/zinc/84/07/48/562840748.db2.gz VFLSHSPXNOHQGN-QGZVFWFLSA-N 0 0 539.518 4.952 1 0 KJAFRN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N[C@H]4CCOC4)nc32)c1 ZINC000148252866 562840747 /nfs/dbraw/zinc/84/07/47/562840747.db2.gz VFLSHSPXNOHQGN-KRWDZBQOSA-N 0 0 539.518 4.952 1 0 KJAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N[C@@H]3CCOC3)nc21 ZINC000148253751 562840738 /nfs/dbraw/zinc/84/07/38/562840738.db2.gz ZLNDXCLRQQYJFS-GOSISDBHSA-N 0 0 509.492 4.944 1 0 KJAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N[C@H]3CCOC3)nc21 ZINC000148253985 562840708 /nfs/dbraw/zinc/84/07/08/562840708.db2.gz ZLNDXCLRQQYJFS-SFHVURJKSA-N 0 0 509.492 4.944 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N[C@@H]5CCOC5)nc43)c2)cc1C(F)(F)F ZINC000148259124 562840756 /nfs/dbraw/zinc/84/07/56/562840756.db2.gz MCUVARULMRXQNY-QGZVFWFLSA-N 0 0 539.518 4.952 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N[C@H]5CCOC5)nc43)c2)cc1C(F)(F)F ZINC000148259314 562840780 /nfs/dbraw/zinc/84/07/80/562840780.db2.gz MCUVARULMRXQNY-KRWDZBQOSA-N 0 0 539.518 4.952 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(NC[C@@H]3CCCCO3)nc21 ZINC000148262114 562840774 /nfs/dbraw/zinc/84/07/74/562840774.db2.gz UXVTWKXXRQZPIE-SFHVURJKSA-N 0 0 516.606 4.991 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(NC[C@H]3CCCCO3)nc21 ZINC000148262319 562840769 /nfs/dbraw/zinc/84/07/69/562840769.db2.gz UXVTWKXXRQZPIE-GOSISDBHSA-N 0 0 516.606 4.991 1 0 KJAFRN COC[C@@H]1CCCN1c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C)c2n1 ZINC000148263356 562840753 /nfs/dbraw/zinc/84/07/53/562840753.db2.gz YHPWXTCRZZWCGO-SFHVURJKSA-N 0 0 516.606 4.625 1 0 KJAFRN CC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(F)F)cc21 ZINC000148265177 562840758 /nfs/dbraw/zinc/84/07/58/562840758.db2.gz YWWMFZXHGMSYBU-VLIAUNLRSA-N 0 0 540.901 4.956 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc21 ZINC000148265783 562840749 /nfs/dbraw/zinc/84/07/49/562840749.db2.gz BQTWZPBEOJPCQW-CALCHBBNSA-N 0 0 516.606 4.623 1 0 KJAFRN Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CCOCC4)nc32)c1Cl ZINC000148267324 562840773 /nfs/dbraw/zinc/84/07/73/562840773.db2.gz KTSQXVWENWZGRJ-UHFFFAOYSA-N 0 0 556.458 4.590 1 0 KJAFRN Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CCCC4)nc32)c1 ZINC000148267826 562840826 /nfs/dbraw/zinc/84/08/26/562840826.db2.gz ACMKLKWBGKUISX-UHFFFAOYSA-N 0 0 506.014 4.700 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N[C@@H]5CCOC5)nc43)c2)cc1C(F)(F)F ZINC000148273715 562840819 /nfs/dbraw/zinc/84/08/19/562840819.db2.gz MFUAIHHAZLTFMJ-OAHLLOKOSA-N 0 0 543.481 4.783 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N[C@H]5CCOC5)nc43)c2)cc1C(F)(F)F ZINC000148273902 562840807 /nfs/dbraw/zinc/84/08/07/562840807.db2.gz MFUAIHHAZLTFMJ-HNNXBMFYSA-N 0 0 543.481 4.783 1 0 KJAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)ccc5OC)ccc4C)c3n2)CC1 ZINC000148290672 562840922 /nfs/dbraw/zinc/84/09/22/562840922.db2.gz JCQYLUUYGKILSE-UHFFFAOYSA-N 0 0 584.725 4.799 1 0 KJAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148291674 562840908 /nfs/dbraw/zinc/84/09/08/562840908.db2.gz VEIOPEYWDWXDIP-UHFFFAOYSA-N 0 0 566.588 4.511 1 0 KJAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5ccc(OC)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148292307 562840904 /nfs/dbraw/zinc/84/09/04/562840904.db2.gz AQWZYDCIXJEYMZ-UHFFFAOYSA-N 0 0 596.614 4.520 1 0 KJAFRN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148310013 562840964 /nfs/dbraw/zinc/84/09/64/562840964.db2.gz LVGGAPCXCBFUBO-UHFFFAOYSA-N 0 0 511.508 4.826 1 0 KJAFRN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4ccc(OC)c(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148311446 562840935 /nfs/dbraw/zinc/84/09/35/562840935.db2.gz FALGZQAFFCXPRZ-UHFFFAOYSA-N 0 0 541.534 4.834 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(N(C)C[C@@H]3CCCCO3)nc21 ZINC000148313114 562840950 /nfs/dbraw/zinc/84/09/50/562840950.db2.gz DJTNGAGBKHQTHG-FQEVSTJZSA-N 0 0 543.676 4.760 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(N(C)C[C@H]3CCCCO3)nc21 ZINC000148313309 562840924 /nfs/dbraw/zinc/84/09/24/562840924.db2.gz DJTNGAGBKHQTHG-HXUWFJFHSA-N 0 0 543.676 4.760 1 0 KJAFRN CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(F)(F)F)cc12 ZINC000148317150 562841019 /nfs/dbraw/zinc/84/10/19/562841019.db2.gz PPEDCJMMBZFAKN-VFNWGFHPSA-N 0 0 557.903 4.790 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N[C@@H]3CCOC3)nc21 ZINC000148330111 562841042 /nfs/dbraw/zinc/84/10/42/562841042.db2.gz GAJMOYPQXKGOLK-LJQANCHMSA-N 0 0 625.631 4.835 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N[C@H]3CCOC3)nc21 ZINC000148330285 562841070 /nfs/dbraw/zinc/84/10/70/562841070.db2.gz GAJMOYPQXKGOLK-IBGZPJMESA-N 0 0 625.631 4.835 1 0 KJAFRN C[C@@]1(F)C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)C1 ZINC000148334772 562841031 /nfs/dbraw/zinc/84/10/31/562841031.db2.gz VBAUXSVPMNYLSE-YADARESESA-N 0 0 541.904 4.824 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148343844 562841117 /nfs/dbraw/zinc/84/11/17/562841117.db2.gz CZEXVUVPMFXJFU-UHFFFAOYSA-N 0 0 575.555 4.765 1 0 KJAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(OC)cc(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148345757 562841125 /nfs/dbraw/zinc/84/11/25/562841125.db2.gz WTHPMPVULUUJNG-UHFFFAOYSA-N 0 0 596.614 4.520 1 0 KJAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148345960 562841110 /nfs/dbraw/zinc/84/11/10/562841110.db2.gz FXINNRJJAZWKHD-UHFFFAOYSA-N 0 0 584.578 4.650 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC[C@H]5CO)nc43)c2)cc1C(F)(F)F ZINC000148347673 562841122 /nfs/dbraw/zinc/84/11/22/562841122.db2.gz IYPNMXDUVVOEOX-SFHVURJKSA-N 0 0 553.545 4.713 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N(C)[C@@H]5CCOC5)nc43)c2)cc1C(F)(F)F ZINC000148348114 562841106 /nfs/dbraw/zinc/84/11/06/562841106.db2.gz WLEFWQZUMZNICD-GOSISDBHSA-N 0 0 553.545 4.977 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N(C)[C@H]5CCOC5)nc43)c2)cc1C(F)(F)F ZINC000148348348 562841107 /nfs/dbraw/zinc/84/11/07/562841107.db2.gz WLEFWQZUMZNICD-SFHVURJKSA-N 0 0 553.545 4.977 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCCOCC5)nc43)c2)cc1C(F)(F)F ZINC000148349002 562841086 /nfs/dbraw/zinc/84/10/86/562841086.db2.gz GRZQRILKJDFCBE-UHFFFAOYSA-N 0 0 553.545 4.978 1 0 KJAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1N(C)c1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148367214 562841181 /nfs/dbraw/zinc/84/11/81/562841181.db2.gz OTCUXBUZVJNUBW-KRWDZBQOSA-N 0 0 504.570 4.582 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(N(C)c3ncnc4cnc(N5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000148367635 562841157 /nfs/dbraw/zinc/84/11/57/562841157.db2.gz ZPBKIOCIFBTMQU-UHFFFAOYSA-N 0 0 553.545 4.612 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(N(C)c3ncnc4cnc(N[C@@H]5CCOC5)nc43)c2)cc1C(F)(F)F ZINC000148369461 562841180 /nfs/dbraw/zinc/84/11/80/562841180.db2.gz ZBJHHUFUXJFCGQ-GOSISDBHSA-N 0 0 553.545 4.977 1 0 KJAFRN COc1ccc(NC(=O)c2ccc(C)c(N(C)c3ncnc4cnc(N[C@H]5CCOC5)nc43)c2)cc1C(F)(F)F ZINC000148369678 562841197 /nfs/dbraw/zinc/84/11/97/562841197.db2.gz ZBJHHUFUXJFCGQ-SFHVURJKSA-N 0 0 553.545 4.977 1 0 KJAFRN COCCN1CCN(c2ncc3ncnc(N(C)c4cc(C(=O)Nc5ccc(OC)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000148370235 562841191 /nfs/dbraw/zinc/84/11/91/562841191.db2.gz DYGVBLMDPBRMOV-UHFFFAOYSA-N 0 0 610.641 4.544 1 0 KJAFRN NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H](c2cccc(Cl)c2)C(F)(F)F)c2ccccc21 ZINC000148400667 562841235 /nfs/dbraw/zinc/84/12/35/562841235.db2.gz SMDVDBWXSFPCME-CCKFTAQKSA-N 0 0 525.890 4.586 1 0 KJAFRN NC(=O)n1cc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccc(Cl)cc21 ZINC000148417836 562841265 /nfs/dbraw/zinc/84/12/65/562841265.db2.gz PVIAYJIUGLYZJM-KRWDZBQOSA-N 0 0 509.872 4.755 1 0 KJAFRN COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C(=O)[O-])cc2)n1 ZINC000148439825 562841306 /nfs/dbraw/zinc/84/13/06/562841306.db2.gz BSRHHOAYCKUOGD-UHFFFAOYSA-N 0 0 545.518 4.562 1 0 KJAFRN CC1(C)SC[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N1C(=O)Nc1cn(C(N)=O)c2ccccc12 ZINC000148472384 562841396 /nfs/dbraw/zinc/84/13/96/562841396.db2.gz RCIXJGQUHCHQHD-SFHVURJKSA-N 0 0 521.521 4.791 1 0 KJAFRN CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[NH2+]CC[P@](=O)([O-])OCC)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000148724247 562841658 /nfs/dbraw/zinc/84/16/58/562841658.db2.gz PAUJKFUBARBHJY-KAYWLYCHSA-N 0 0 552.674 4.812 1 0 KJAFRN COc1cc(N2CCC(O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148745723 562841721 /nfs/dbraw/zinc/84/17/21/562841721.db2.gz CCVGHLZQHJYDAI-UHFFFAOYSA-N 0 0 501.955 4.835 1 0 KJAFRN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148757000 562841795 /nfs/dbraw/zinc/84/17/95/562841795.db2.gz OGBBOXLWGHVVPQ-UHFFFAOYSA-N 0 0 528.981 4.542 1 0 KJAFRN COCCCNc1cc(N2CC[NH+](C)CC2)ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc21 ZINC000148850800 562841878 /nfs/dbraw/zinc/84/18/78/562841878.db2.gz MEKFXWXMKWCCDP-UHFFFAOYSA-N 0 0 548.638 4.884 1 0 KJAFRN CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000148983663 562842025 /nfs/dbraw/zinc/84/20/25/562842025.db2.gz PRGOUCVKEIYIOH-PSWAGMNNSA-N 0 0 584.643 4.831 1 0 KJAFRN Cc1c[nH]c2cccc(-c3nc4c(c(N5CCN(CC(N)=O)[C@H](C)C5)n3)CN(c3cc(C(F)(F)F)ccc3C)CC4)c12 ZINC000149129431 562842155 /nfs/dbraw/zinc/84/21/55/562842155.db2.gz KUUWRKIBRVJNDS-HXUWFJFHSA-N 0 0 577.655 4.819 1 0 KJAFRN Cc1n[nH]c2ccc(C)c(-c3nc4c(c(N5CC[C@H]6OC[C@H]6C5)n3)CN(c3c(Cl)c(C5CC5)nn3C)CC4)c12 ZINC000149132882 562842234 /nfs/dbraw/zinc/84/22/34/562842234.db2.gz DPSLYXIWYKYUBA-XMSQKQJNSA-N 0 0 545.091 4.689 1 0 KJAFRN Cc1ccc(C)c(-c2nc3c(c(N4CCN(CC(N)=O)C[C@H]4C)n2)CN(c2cc(C(C)C)ccc2C)CC3)c1 ZINC000149139549 562842197 /nfs/dbraw/zinc/84/21/97/562842197.db2.gz SGIMIKPXQUJKHF-XMMPIXPASA-N 0 0 526.729 4.751 1 0 KJAFRN CO[C@@H]1CCN(c2nc(-c3c4c(C)n[nH]c4ccc3C)nc3c2CN(c2cc(C(F)(F)F)nn2C)CC3)[C@H](C)C1 ZINC000149161981 562842329 /nfs/dbraw/zinc/84/23/29/562842329.db2.gz HMCCLQCLTHCBAU-SJLPKXTDSA-N 0 0 554.621 4.955 1 0 KJAFRN O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc21)NC1CN([C@H]2CC[C@](O)(c3nccs3)CC2)C1 ZINC000149166814 562842355 /nfs/dbraw/zinc/84/23/55/562842355.db2.gz RJTKUOABESXRDU-QXONSOMPSA-N 0 0 573.563 4.772 1 0 KJAFRN O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc21)NC1CN([C@H]2CC[C@](O)(c3cncs3)CC2)C1 ZINC000149196197 562842436 /nfs/dbraw/zinc/84/24/36/562842436.db2.gz PCWCPRLYGHIJBK-QXONSOMPSA-N 0 0 573.563 4.772 1 0 KJAFRN C[C@]1(C(=O)N(CCCC(=O)N2CCOCC2)Cc2ccc(Cl)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000149201994 562842430 /nfs/dbraw/zinc/84/24/30/562842430.db2.gz JCCWKDCSIWNMHF-SSEXGKCCSA-N 0 0 568.139 4.756 1 0 KJAFRN C[C@@]1(C(=O)N(CCCC(=O)N2CCOCC2)Cc2ccc(Cl)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000149202177 562842435 /nfs/dbraw/zinc/84/24/35/562842435.db2.gz JCCWKDCSIWNMHF-PMERELPUSA-N 0 0 568.139 4.756 1 0 KJAFRN O=C(COc1ccccc1-c1nc2ccccc2c(N(CC(=O)NCC2CC2)c2ccc3n[nH]cc3c2)n1)NCC1CC1 ZINC000149309970 562842603 /nfs/dbraw/zinc/84/26/03/562842603.db2.gz GJPPTMZVTAWKPF-UHFFFAOYSA-N 0 0 575.673 4.742 1 0 KJAFRN CCNS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(C)ccc1Cl ZINC000149329340 562842585 /nfs/dbraw/zinc/84/25/85/562842585.db2.gz YPXGDIVXVGWUHO-UHFFFAOYSA-N 0 0 571.078 4.892 1 0 KJAFRN CCNS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccc(Cl)cc1C ZINC000149341711 562842642 /nfs/dbraw/zinc/84/26/42/562842642.db2.gz LEZHHVZOBTXOEK-UHFFFAOYSA-N 0 0 571.078 4.892 1 0 KJAFRN Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccc(F)cc3)CC2)cnc2c(S(=O)(=O)NC3CC3)cnn21 ZINC000149345143 562842654 /nfs/dbraw/zinc/84/26/54/562842654.db2.gz ZDONKUKVPYWWFM-UHFFFAOYSA-N 0 0 566.634 4.520 1 0 KJAFRN COC(=O)CNC(=O)c1c[nH]c(-c2cc(Oc3cc(C(=O)Nc4cc(C)ccc4F)ccc3F)ccn2)c1 ZINC000149460291 562842706 /nfs/dbraw/zinc/84/27/06/562842706.db2.gz CPHLNZWLTXURLV-UHFFFAOYSA-N 0 0 520.492 4.611 1 0 KJAFRN Cc1nnc(Cc2cccc(CC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)nn3)c2)o1 ZINC000149478572 562842685 /nfs/dbraw/zinc/84/26/85/562842685.db2.gz VBYIFRKEBZRXKN-UHFFFAOYSA-N 0 0 582.690 4.538 1 0 KJAFRN COC(=O)CNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000149487597 562842719 /nfs/dbraw/zinc/84/27/19/562842719.db2.gz MSXKLXDFAGWGGZ-UHFFFAOYSA-N 0 0 517.517 4.863 1 0 KJAFRN Cc1noc(Cc2cccc(CC(=O)Nc3ccc(CCCCc4nnc(NC(=O)Cc5ccccc5)s4)nn3)c2)n1 ZINC000149511527 562842687 /nfs/dbraw/zinc/84/26/87/562842687.db2.gz WQKCSRVDFWJXTL-UHFFFAOYSA-N 0 0 582.690 4.538 1 0 KJAFRN COC(=O)CNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C)c4)c(F)c3)ccn2)c1 ZINC000149525862 562842692 /nfs/dbraw/zinc/84/26/92/562842692.db2.gz MNZPHNAANANIDS-UHFFFAOYSA-N 0 0 517.517 4.863 1 0 KJAFRN CCOC(=O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CN1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000149552957 562842709 /nfs/dbraw/zinc/84/27/09/562842709.db2.gz OJLKRIOELUJWQN-WDYNHAJCSA-N 0 0 528.649 4.542 1 0 KJAFRN COc1ccc(CC2CCS(=O)(=O)CC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000149670644 562842738 /nfs/dbraw/zinc/84/27/38/562842738.db2.gz WUVMYOMYUAIZRF-UHFFFAOYSA-N 0 0 609.774 4.612 1 0 KJAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCCCC3)nc2N)cc1I ZINC000150259283 562843043 /nfs/dbraw/zinc/84/30/43/562843043.db2.gz HCIGHPZNGZLFHX-UHFFFAOYSA-N 0 0 511.364 4.606 1 0 KJAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCC(C)CC3)nc2N)cc1I ZINC000150262752 562843018 /nfs/dbraw/zinc/84/30/18/562843018.db2.gz CBPXQBVSVNCMGN-UHFFFAOYSA-N 0 0 525.391 4.852 1 0 KJAFRN O[C@H](OCC(CO[C@@H](O)C(Cl)(Cl)Cl)(CO[C@@H](O)C(Cl)(Cl)Cl)CO[C@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000150340880 562843161 /nfs/dbraw/zinc/84/31/61/562843161.db2.gz OKACKALPXHBEMA-XUTVFYLZSA-N 0 0 725.699 4.794 1 0 in-man KJAFRN CS(=O)(=O)N1CCC2(CC1)[C@H]1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@@H]1CN2C(=O)c1ccc2ccccc2c1 ZINC000150353087 562843290 /nfs/dbraw/zinc/84/32/90/562843290.db2.gz UGULBQBVNWXBKM-JWQCQUIFSA-N 0 0 667.628 4.929 1 0 KJAFRN CS(=O)(=O)N1CCC2(CC1)[C@@H]1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@@H]1CN2C(=O)c1ccc2ccccc2c1 ZINC000150353088 562843280 /nfs/dbraw/zinc/84/32/80/562843280.db2.gz UGULBQBVNWXBKM-RPBOFIJWSA-N 0 0 667.628 4.929 1 0 KJAFRN CS(=O)(=O)N1CCC2(CC1)[C@@H]1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@H]1CN2C(=O)c1ccc2ccccc2c1 ZINC000150353090 562843278 /nfs/dbraw/zinc/84/32/78/562843278.db2.gz UGULBQBVNWXBKM-DQEYMECFSA-N 0 0 667.628 4.929 1 0 KJAFRN Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353106 562843289 /nfs/dbraw/zinc/84/32/89/562843289.db2.gz GWCNPLNSWCRPJU-DHIUTWEWSA-N 0 0 684.615 4.814 1 0 KJAFRN Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353107 562843287 /nfs/dbraw/zinc/84/32/87/562843287.db2.gz GWCNPLNSWCRPJU-PKTZIBPZSA-N 0 0 684.615 4.814 1 0 KJAFRN Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353108 562843275 /nfs/dbraw/zinc/84/32/75/562843275.db2.gz GWCNPLNSWCRPJU-XZOQPEGZSA-N 0 0 684.615 4.814 1 0 KJAFRN CN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc4ccccc4c3)C3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)[C@@H]2C1=O ZINC000150353111 562843277 /nfs/dbraw/zinc/84/32/77/562843277.db2.gz BLMXPQBNRUSVOP-ZEQRLZLVSA-N 0 0 653.601 4.788 1 0 KJAFRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C12CCN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CC2 ZINC000150353123 562843273 /nfs/dbraw/zinc/84/32/73/562843273.db2.gz XVXLZWKAPZUIGE-KCWPFWIISA-N 0 0 736.647 4.540 1 0 KJAFRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C12CCN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CC2 ZINC000150353125 562843279 /nfs/dbraw/zinc/84/32/79/562843279.db2.gz XVXLZWKAPZUIGE-HOFKKMOUSA-N 0 0 736.647 4.540 1 0 KJAFRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C12CCN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CC2 ZINC000150353126 562843293 /nfs/dbraw/zinc/84/32/93/562843293.db2.gz XVXLZWKAPZUIGE-YIXXDRMTSA-N 0 0 736.647 4.540 1 0 KJAFRN O=C(c1cnccc1C(F)(F)F)N1CCC[C@@](Oc2ccc(Br)c(F)c2)(C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000150524497 562843692 /nfs/dbraw/zinc/84/36/92/562843692.db2.gz YTTRBGBNPWNYPB-MHZLTWQESA-N 0 0 636.444 4.800 1 0 KJAFRN O=C(c1cnccc1C(F)(F)F)N1CCC[C@](Oc2ccc(Br)c(F)c2)(C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000150524501 562843697 /nfs/dbraw/zinc/84/36/97/562843697.db2.gz YTTRBGBNPWNYPB-HHHXNRCGSA-N 0 0 636.444 4.800 1 0 KJAFRN C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2cccs2)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000150534116 562843877 /nfs/dbraw/zinc/84/38/77/562843877.db2.gz BEHKPOBKQGEBBQ-YDPUQGBASA-N 0 0 650.650 4.704 1 0 KJAFRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000150534417 562843890 /nfs/dbraw/zinc/84/38/90/562843890.db2.gz OTOHUSBCCBGSPA-QZCKSCMDSA-N 0 0 735.897 4.751 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000150535293 562843922 /nfs/dbraw/zinc/84/39/22/562843922.db2.gz HDHYOMUMYQWAQB-NAJARDBOSA-N 0 0 735.897 4.751 1 0 KJAFRN O=C(NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1)[C@H](CC1=CNCN1)NC(=O)[C@@H]1CCCN1C(=O)OCC(c1ccccc1)c1ccccc1 ZINC000150544233 562844323 /nfs/dbraw/zinc/84/43/23/562844323.db2.gz 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MIADOKRJSIMJQF-AWCRTANDSA-N 0 0 890.570 4.811 1 0 KJAFRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)O[C@@H]1c3c(ccc4c(=O)cc(N5CCOCC5)oc43)OC(C)(C)[C@@H]1OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O ZINC000150561944 562844918 /nfs/dbraw/zinc/84/49/18/562844918.db2.gz VZQNGTUUNKGAJM-WYYHMLNJSA-N 0 0 707.773 4.541 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)OC3CC(C)(C)N(O)C(C)(C)C3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000150561971 562844920 /nfs/dbraw/zinc/84/49/20/562844920.db2.gz RNRQNICSUUHQEY-UEVKLLACSA-N 0 0 744.818 4.935 1 0 KJAFRN O=C(NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCc1ccccc1)NC=CS(=O)(=O)c1ccc2ccccc2c1)NN1CCOCC1 ZINC000150563563 562844942 /nfs/dbraw/zinc/84/49/42/562844942.db2.gz PCJKSKCBOVMYIJ-AXSJAOQOSA-N 0 0 719.864 4.629 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC3CC(C)(C)N(O)C(C)(C)C3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000150564382 562844964 /nfs/dbraw/zinc/84/49/64/562844964.db2.gz RREHMBROUCNCHB-MVPYWAIYSA-N 0 0 710.801 4.738 1 0 KJAFRN O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc43)nc(N3CCN(c4ncccn4)CC3)n2)o1 ZINC000150572674 562845168 /nfs/dbraw/zinc/84/51/68/562845168.db2.gz PQJBUIJRPVSUMQ-UHFFFAOYSA-N 0 0 630.650 4.636 1 0 KJAFRN Cc1nc2c(I)cc(I)cc2c(=O)n1Cc1ccc(I)cc1 ZINC000150580321 562845464 /nfs/dbraw/zinc/84/54/64/562845464.db2.gz XIFMHNYESLMJQP-UHFFFAOYSA-N 0 0 627.989 4.567 1 0 KJAFRN CC(C)(CS(C)(=O)=O)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)cc1 ZINC000150580931 562845485 /nfs/dbraw/zinc/84/54/85/562845485.db2.gz KMOIIVVHYWSIQA-UHFFFAOYSA-N 0 0 625.312 4.794 1 0 KJAFRN CC(C)(CS(C)(=O)=O)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)cc1F ZINC000150580941 562845486 /nfs/dbraw/zinc/84/54/86/562845486.db2.gz CZZOCDFXRXUNPW-UHFFFAOYSA-N 0 0 643.302 4.933 1 0 KJAFRN COCCCC[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]3(OC2(C)C)[C@](OC(C)=O)([C@@H]1OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)CC[C@]3(C)O ZINC000150581024 562845472 /nfs/dbraw/zinc/84/54/72/562845472.db2.gz JHTXDDLQJDLFCM-MADCNHOOSA-N 0 0 666.764 4.826 1 0 KJAFRN CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@]3(OC(C)=O)[C@@H](OC(=O)c4ccccc4)CC[C@](C)(O)[C@@]13OC2(C)C ZINC000150581649 562845504 /nfs/dbraw/zinc/84/55/04/562845504.db2.gz UGZJBYQMLKPSRO-IBYODGHESA-N 0 0 700.737 4.619 1 0 KJAFRN COc1ccc([C@@H]2[C@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585413 562845761 /nfs/dbraw/zinc/84/57/61/562845761.db2.gz KWIFHISBAAIBCL-FQLXRVMXSA-N 0 0 629.698 4.851 1 0 KJAFRN COc1ccc([C@H]2[C@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585418 562845765 /nfs/dbraw/zinc/84/57/65/562845765.db2.gz KWIFHISBAAIBCL-URLMMPGGSA-N 0 0 629.698 4.851 1 0 KJAFRN COc1ccc([C@@H]2[C@@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585420 562845760 /nfs/dbraw/zinc/84/57/60/562845760.db2.gz KWIFHISBAAIBCL-WDYNHAJCSA-N 0 0 629.698 4.851 1 0 KJAFRN COc1ccc([C@H]2[C@@H]3SC4=NC(c5ccccc5)(c5ccccc5)C(=O)N4C3=NN2CCON2C(=O)c3ccccc3C2=O)cc1 ZINC000150585423 562845805 /nfs/dbraw/zinc/84/58/05/562845805.db2.gz KWIFHISBAAIBCL-VMPREFPWSA-N 0 0 629.698 4.851 1 0 KJAFRN CC1=C(CC(=O)OC/C=C\COc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000150591482 562846256 /nfs/dbraw/zinc/84/62/56/562846256.db2.gz ORUWYZQPUHAJKK-DLDTWGIYSA-N 0 0 650.706 4.914 1 0 KJAFRN CC1=C(CC(=O)OC/C=C\COc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000150591486 562846244 /nfs/dbraw/zinc/84/62/44/562846244.db2.gz ORUWYZQPUHAJKK-GXOPZICRSA-N 0 0 650.706 4.914 1 0 KJAFRN CC1=C(CC(=O)OC/C=C\COc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000150591495 562846263 /nfs/dbraw/zinc/84/62/63/562846263.db2.gz DDRLKBYLNBFBIW-GUSLDSFPSA-N 0 0 666.705 4.580 1 0 KJAFRN CC1=C(CC(=O)OCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000150591905 562846302 /nfs/dbraw/zinc/84/63/02/562846302.db2.gz XDTRKUDVFPXNOV-ZCTKGWSASA-N 0 0 638.695 4.747 1 0 KJAFRN CC1=C(CC(=O)OCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000150591909 562846296 /nfs/dbraw/zinc/84/62/96/562846296.db2.gz XDTRKUDVFPXNOV-DBPDNMMBSA-N 0 0 638.695 4.747 1 0 KJAFRN CC1=C(CC(=O)OCCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000150591942 562846286 /nfs/dbraw/zinc/84/62/86/562846286.db2.gz CFCFLTVDZKCJKK-IMRQLAEWSA-N 0 0 668.721 4.804 1 0 KJAFRN CO[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4CC[C@@]3(C)C1=O)C2(C)C ZINC000150592882 562846367 /nfs/dbraw/zinc/84/63/67/562846367.db2.gz HPINLBCXKLHCAI-KWUQKMSRSA-N 0 0 805.918 4.943 1 0 KJAFRN CO[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4CC[C@@]3(C)C1=O)C2(C)C ZINC000150592886 562846355 /nfs/dbraw/zinc/84/63/55/562846355.db2.gz WSUSFQQYPJCTBS-IJPYKHGGSA-N 0 0 785.928 4.616 1 0 KJAFRN CCCCCOC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000150596213 562846680 /nfs/dbraw/zinc/84/66/80/562846680.db2.gz AILCBSYTHGBXRH-LVKHTMKJSA-N 0 0 669.643 4.615 1 0 KJAFRN CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC ZINC000150596514 562846699 /nfs/dbraw/zinc/84/66/99/562846699.db2.gz HYPUCEMBDNDVQU-ABJLESROSA-N 0 0 722.858 4.529 1 0 KJAFRN CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC ZINC000150596528 562846727 /nfs/dbraw/zinc/84/67/27/562846727.db2.gz WJEBDIQNCFVULI-ABJLESROSA-N 0 0 722.858 4.529 1 0 KJAFRN CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC ZINC000150596957 562846750 /nfs/dbraw/zinc/84/67/50/562846750.db2.gz HYPUCEMBDNDVQU-VQHOHFBQSA-N 0 0 722.858 4.529 1 0 KJAFRN CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC ZINC000150596966 562846748 /nfs/dbraw/zinc/84/67/48/562846748.db2.gz WJEBDIQNCFVULI-VQHOHFBQSA-N 0 0 722.858 4.529 1 0 KJAFRN CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc3n1C2 ZINC000150597772 562846814 /nfs/dbraw/zinc/84/68/14/562846814.db2.gz IUJMDPKKCAMEQP-QDFUAKMASA-N 0 0 659.853 4.693 1 0 KJAFRN COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598421 562846865 /nfs/dbraw/zinc/84/68/65/562846865.db2.gz WNCJWMBZJAIJFT-IVYXEDCPSA-N 0 0 647.842 4.597 1 0 KJAFRN COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598424 562846852 /nfs/dbraw/zinc/84/68/52/562846852.db2.gz WNCJWMBZJAIJFT-BWZJBSEYSA-N 0 0 647.842 4.597 1 0 KJAFRN COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598425 562846862 /nfs/dbraw/zinc/84/68/62/562846862.db2.gz WNCJWMBZJAIJFT-UMYWUAKWSA-N 0 0 647.842 4.597 1 0 KJAFRN COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598430 562846859 /nfs/dbraw/zinc/84/68/59/562846859.db2.gz WNCJWMBZJAIJFT-ZSLJHSAZSA-N 0 0 647.842 4.597 1 0 KJAFRN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)(C)C)cc2)cc1)C(C)(C)C ZINC000150601041 562847223 /nfs/dbraw/zinc/84/72/23/562847223.db2.gz TUWBNXLXLIDTMV-VZNYXHRGSA-N 0 0 720.868 4.754 1 0 KJAFRN CC(=O)OCC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](OC(C)=O)[C@@]3(O)[C@@H]1OC(=O)c1ccccc1NC(=O)c1ccccc1N)[C@H](C)C[C@@H]1[C@H]2C1(C)C ZINC000150602590 562847333 /nfs/dbraw/zinc/84/73/33/562847333.db2.gz XGDQLBVXHZZHMQ-OXHJOSHZSA-N 0 0 670.759 4.656 1 0 KJAFRN 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COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)C3(OC(=O)C5=CC(C)(C)N(O)C5(C)C)CCCCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000150605996 562847817 /nfs/dbraw/zinc/84/78/17/562847817.db2.gz ULXQPPRWRMKIIZ-TYDXHICZSA-N 0 0 705.781 4.924 1 0 KJAFRN COc1ccc([C@H](OC(=O)C2=CC(C)(C)N(O)C2(C)C)C(=O)N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1 ZINC000150606001 562847816 /nfs/dbraw/zinc/84/78/16/562847816.db2.gz DMYGSOXNUVGQBC-RJWIIUGYSA-N 0 0 743.786 4.971 1 0 KJAFRN COc1ccc([C@@H](OC(=O)C2=CC(C)(C)N(O)C2(C)C)C(=O)N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1 ZINC000150606003 562847804 /nfs/dbraw/zinc/84/78/04/562847804.db2.gz DMYGSOXNUVGQBC-BECBZSEZSA-N 0 0 743.786 4.971 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@H](Cc3ccccc3)OC(=O)C3=CC(C)(C)N(O)C3(C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000150606007 562847812 /nfs/dbraw/zinc/84/78/12/562847812.db2.gz XYMOYWGVSCUPIE-HWRQDYOMSA-N 0 0 727.787 4.832 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@@H](Cc3ccccc3)OC(=O)C3=CC(C)(C)N(O)C3(C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000150606011 562847803 /nfs/dbraw/zinc/84/78/03/562847803.db2.gz XYMOYWGVSCUPIE-NGJUWDBNSA-N 0 0 727.787 4.832 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@@H](OC(=O)C3=CC(C)(C)N(O)C3(C)C)c3ccco3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000150606016 562847813 /nfs/dbraw/zinc/84/78/13/562847813.db2.gz XRXIMBQJPAHJJZ-IGHOLXFXSA-N 0 0 703.721 4.555 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@H](OC(=O)C3=CC(C)(C)N(O)C3(C)C)c3ccco3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000150606020 562847823 /nfs/dbraw/zinc/84/78/23/562847823.db2.gz XRXIMBQJPAHJJZ-IUQOOVGPSA-N 0 0 703.721 4.555 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@@H](OC(=O)C3=CC(C)(C)N(O)C3(C)C)c3ccc5c(c3)OCO5)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000150606028 562847807 /nfs/dbraw/zinc/84/78/07/562847807.db2.gz OODKIOBPQIXDAF-VOVVZRBXSA-N 0 0 757.769 4.691 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@H](OC(=O)C3=CC(C)(C)N(O)C3(C)C)c3ccc5c(c3)OCO5)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000150606031 562847810 /nfs/dbraw/zinc/84/78/10/562847810.db2.gz OODKIOBPQIXDAF-CQNRXNOWSA-N 0 0 757.769 4.691 1 0 KJAFRN CCC[C@H](OC(=O)C1CC(C)(C)N(O)C(C)(C)C1)C(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000150606036 562847800 /nfs/dbraw/zinc/84/78/00/562847800.db2.gz AXUWCPYZGBHYQY-MVPYWAIYSA-N 0 0 695.786 4.860 1 0 KJAFRN CCC[C@@H](OC(=O)C1CC(C)(C)N(O)C(C)(C)C1)C(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000150606039 562847848 /nfs/dbraw/zinc/84/78/48/562847848.db2.gz AXUWCPYZGBHYQY-SJSKYJEGSA-N 0 0 695.786 4.860 1 0 KJAFRN CCC[C@H](OC(=O)C1=CC(C)(C)N(O)C(C)(C)C1)C(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000150606044 562847847 /nfs/dbraw/zinc/84/78/47/562847847.db2.gz JSYZGPSLYGUSOW-MVPYWAIYSA-N 0 0 693.770 4.780 1 0 KJAFRN CCC[C@@H](OC(=O)C1=CC(C)(C)N(O)C(C)(C)C1)C(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000150606047 562847851 /nfs/dbraw/zinc/84/78/51/562847851.db2.gz JSYZGPSLYGUSOW-SJSKYJEGSA-N 0 0 693.770 4.780 1 0 KJAFRN CCCN(C(=O)C1=CC(C)(C)N(O)C1(C)C)C(C)(C)C(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000150606096 562847852 /nfs/dbraw/zinc/84/78/52/562847852.db2.gz SBHSMCPWLRNMOQ-TYDXHICZSA-N 0 0 706.813 4.695 1 0 KJAFRN CC[C@@H](C)[C@@H](C(=O)N[C@@H](CC(N)=O)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(CCc1ccc(OC)cc1)C(=O)NCc1ccccc1 ZINC000150607874 562848138 /nfs/dbraw/zinc/84/81/38/562848138.db2.gz HQIZTKIVAGVQSJ-DARIETRTSA-N 0 0 716.876 4.686 1 0 KJAFRN C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccccc2)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000150608323 562848158 /nfs/dbraw/zinc/84/81/58/562848158.db2.gz CKJPAYHPSZUYRZ-XPVGYBOGSA-N 0 0 644.621 4.643 1 0 KJAFRN C[C@H](NP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)OC[C@@H]1C=C[C@H](n2cnc3c2nc(N)nc3NC2CC2)C1)C(=O)OCc1ccccc1 ZINC000150609359 562848241 /nfs/dbraw/zinc/84/82/41/562848241.db2.gz MSJBEGVASGALPB-TUYNLFGTSA-N 0 0 688.726 4.668 1 0 KJAFRN C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccsc2)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000150610367 562848353 /nfs/dbraw/zinc/84/83/53/562848353.db2.gz ZQBUWQPJHPZGFT-CBOXZROJSA-N 0 0 650.650 4.704 1 0 KJAFRN COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OCc2ccccc2)cc1 ZINC000150612208 562848574 /nfs/dbraw/zinc/84/85/74/562848574.db2.gz XOIWBTDXTBHQBW-KLFZCLAUSA-N 0 0 750.893 4.883 1 0 KJAFRN CCS(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)c2cccc(S(=O)(=O)Nc3ccccc3)c2c1 ZINC000150612624 562848606 /nfs/dbraw/zinc/84/86/06/562848606.db2.gz IUDKPMWARPRWDB-JQIJEIRASA-N 0 0 636.704 4.937 1 0 KJAFRN CCS(=O)(=O)N(C(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)c1cccc2c1cccc2S(=O)(=O)Nc1ccccc1 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QPIYUDNRDCSPEZ-RKGYPADOSA-N 0 0 519.443 4.841 1 0 KJAFRN CC(C)(C)OC(=O)NCCCCCNC(=O)[C@@H]1[C@H]2CC[C@@H]([C@H]1C(=O)Nc1ncc(Br)s1)C21CC1 ZINC000168534510 562851456 /nfs/dbraw/zinc/85/14/56/562851456.db2.gz RJNSMERMSTWIEZ-CYGHRXIMSA-N 0 0 555.539 4.708 1 0 KJAFRN O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(Br)cc1)C21CC1 ZINC000168538458 562851437 /nfs/dbraw/zinc/85/14/37/562851437.db2.gz GEEAOTPVRFHUEJ-GCYXNMHMSA-N 0 0 533.470 4.519 1 0 KJAFRN CC(C)(C)OC(=O)NCCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168564593 562851475 /nfs/dbraw/zinc/85/14/75/562851475.db2.gz UPTKFZRZBRAHDY-PLACYPQZSA-N 0 0 532.479 4.637 1 0 KJAFRN CCCc1cnc(N2CCC([C@H]3Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)cc(F)c4O3)CC2)nc1 ZINC000169096755 562851614 /nfs/dbraw/zinc/85/16/14/562851614.db2.gz MRVUVKYVTCMVPN-AREMUKBSSA-N 0 0 528.694 4.617 1 0 KJAFRN CN1CCCN(CC(=O)N=[S@@](C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000169155391 562851680 /nfs/dbraw/zinc/85/16/80/562851680.db2.gz PQVNCEXMHISSOS-RWYGWLOXSA-N 0 0 617.559 4.514 1 0 KJAFRN CC(C)Nc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c1nccc2-n1cnc(-c2cccnc2)c1 ZINC000169240602 562851677 /nfs/dbraw/zinc/85/16/77/562851677.db2.gz LYIDANZCEBVCBY-UHFFFAOYSA-N 0 0 506.492 4.606 1 0 KJAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(-c4ccoc4)c3)c12 ZINC000169240947 562851663 /nfs/dbraw/zinc/85/16/63/562851663.db2.gz LVORWQJQVXJYNE-UHFFFAOYSA-N 0 0 525.613 4.804 1 0 KJAFRN CCc1cn(-c2ccc(C(N)=O)c(NCCN3CCOCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169241161 562851691 /nfs/dbraw/zinc/85/16/91/562851691.db2.gz YUHLLFCCYAHYLE-UHFFFAOYSA-N 0 0 520.637 4.646 1 0 KJAFRN CCNc1cc(-n2nc(C(C)C)c3c2nccc3-n2cnc(-c3cnn(C(F)F)c3)c2)ccc1C(N)=O ZINC000169244563 562851687 /nfs/dbraw/zinc/85/16/87/562851687.db2.gz JCOWWBKKRCYRPT-UHFFFAOYSA-N 0 0 505.533 4.519 1 0 KJAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(N(O)C3CCCCC3)c2)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169248868 562851690 /nfs/dbraw/zinc/85/16/90/562851690.db2.gz SVZQPMPWMNOPAV-UHFFFAOYSA-N 0 0 539.644 4.757 1 0 KJAFRN CCC(C)(C)n1c2ccc(-c3cnc(N)nc3)cc2nc1-c1cc(Br)cnc1-n1cncn1 ZINC000169251178 562851714 /nfs/dbraw/zinc/85/17/14/562851714.db2.gz LFNSJHKHGUCMKJ-UHFFFAOYSA-N 0 0 504.396 4.626 1 0 KJAFRN C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)[C@@H](C)CC)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C ZINC000169289444 562851724 /nfs/dbraw/zinc/85/17/24/562851724.db2.gz OYJIRPDIKPGGLA-LEPPYOBKSA-N 0 0 616.748 4.671 1 0 KJAFRN C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)[C@H](C)CC)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C ZINC000169289446 562851726 /nfs/dbraw/zinc/85/17/26/562851726.db2.gz OYJIRPDIKPGGLA-AVXGZVRFSA-N 0 0 616.748 4.671 1 0 KJAFRN C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)/C(C)=C/C)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C ZINC000169292277 562852010 /nfs/dbraw/zinc/85/20/10/562852010.db2.gz LLBHSZVLXQBXRK-OAGHFIFOSA-N 0 0 614.732 4.591 1 0 KJAFRN CN1CC[C@@H](Oc2ccc(CN3CC[C@@H](NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2Br)C1 ZINC000169292781 562852045 /nfs/dbraw/zinc/85/20/45/562852045.db2.gz XESAEBNNDALGPZ-QZTJIDSGSA-N 0 0 527.290 4.843 1 0 KJAFRN CC(=O)O[C@@H]1/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000169294410 562852239 /nfs/dbraw/zinc/85/22/39/562852239.db2.gz LCHGAQCFENCJPB-XJEAQJEKSA-N 0 0 642.742 4.504 1 0 KJAFRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CS2 ZINC000169297793 562852593 /nfs/dbraw/zinc/85/25/93/562852593.db2.gz JIOANKJHODAUFH-FHOKDWAUSA-N 0 0 562.813 4.894 1 0 KJAFRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CS2 ZINC000169297795 562852605 /nfs/dbraw/zinc/85/26/05/562852605.db2.gz JIOANKJHODAUFH-WSWUNJIOSA-N 0 0 562.813 4.894 1 0 KJAFRN CC(=O)N1CCN(CN2C(=O)S[C@@H](N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000169298829 562852698 /nfs/dbraw/zinc/85/26/98/562852698.db2.gz ZRJSAMQFKVACIJ-IXCJQBJRSA-N 0 0 562.095 4.787 1 0 KJAFRN CC(=O)N1CCN(CN2C(=O)S[C@H](N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000169298830 562852718 /nfs/dbraw/zinc/85/27/18/562852718.db2.gz ZRJSAMQFKVACIJ-IAPPQJPRSA-N 0 0 562.095 4.787 1 0 KJAFRN CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000169298918 562852727 /nfs/dbraw/zinc/85/27/27/562852727.db2.gz YHQIULRSPQCSKT-RSUXDYMJSA-N 0 0 521.683 4.875 1 0 KJAFRN CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000169298963 562852737 /nfs/dbraw/zinc/85/27/37/562852737.db2.gz YESIXAXFOCXQOM-GIEABIOQSA-N 0 0 569.731 4.879 1 0 KJAFRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccs4)N4[C@@H]5C(=O)N(c6ccc(C)cc6)C(=O)[C@@H]5[C@@H](c5cccs5)N4[C@@H]3C2=O)cc1 ZINC000169301117 571553186 /nfs/dbraw/zinc/55/31/86/571553186.db2.gz SOEGIFSLPAGFKR-NIVXRMQLSA-N 0 0 594.718 4.871 1 0 KJAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)N[C@@H]2C[C@@H](C)Nc3ccccc32)cc1OC ZINC000169301434 562852921 /nfs/dbraw/zinc/85/29/21/562852921.db2.gz ZPJCDXWVCPKLIN-LNYUQPRGSA-N 0 0 545.680 4.925 1 0 KJAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000169301576 562852945 /nfs/dbraw/zinc/85/29/45/562852945.db2.gz DOGRITFNUGZZKZ-QAXCHELISA-N 0 0 548.687 4.779 1 0 KJAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000169301577 562852932 /nfs/dbraw/zinc/85/29/32/562852932.db2.gz DOGRITFNUGZZKZ-DCMFLLSESA-N 0 0 548.687 4.779 1 0 KJAFRN CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO ZINC000169303219 562853180 /nfs/dbraw/zinc/85/31/80/562853180.db2.gz YBJDMCPYPJWKRF-JNGYJVBXSA-N 0 0 573.694 4.976 1 0 KJAFRN CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)N[C@@H](c2cccc(F)c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303321 562853197 /nfs/dbraw/zinc/85/31/97/562853197.db2.gz TZDORXWTPVDOCX-TWVZQSRDSA-N 0 0 533.980 4.602 1 0 KJAFRN CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303357 562853212 /nfs/dbraw/zinc/85/32/12/562853212.db2.gz AHQOAFKULDOYKQ-DROSFRCNSA-N 0 0 526.054 4.940 1 0 KJAFRN CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303667 562853219 /nfs/dbraw/zinc/85/32/19/562853219.db2.gz KCTVVICMGUJFCG-LCGRTSHQSA-N 0 0 512.027 4.666 1 0 KJAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@@H](CCc3ccc(F)cc3)[C@H](O)[C@H]2Cc2ccc(F)cc2)c1 ZINC000169304556 562853334 /nfs/dbraw/zinc/85/33/34/562853334.db2.gz HHKWKXOCHWLVQU-QAXCHELISA-N 0 0 612.677 4.574 1 0 KJAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@@H](CCc3ccc(F)cc3)[C@@H](O)[C@H]2Cc2ccc(F)cc2)c1 ZINC000169304557 562853339 /nfs/dbraw/zinc/85/33/39/562853339.db2.gz HHKWKXOCHWLVQU-DCMFLLSESA-N 0 0 612.677 4.574 1 0 KJAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@@H](CCc3ccc(F)c(F)c3)[C@H](O)[C@H]2Cc2ccc(F)c(F)c2)c1 ZINC000169304558 562853331 /nfs/dbraw/zinc/85/33/31/562853331.db2.gz CMBKNLUUKVNRNH-QAXCHELISA-N 0 0 648.657 4.852 1 0 KJAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@@H](CCc3ccc(F)c(F)c3)[C@@H](O)[C@H]2Cc2ccc(F)c(F)c2)c1 ZINC000169304561 562853314 /nfs/dbraw/zinc/85/33/14/562853314.db2.gz CMBKNLUUKVNRNH-DCMFLLSESA-N 0 0 648.657 4.852 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1)C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000169305318 562853412 /nfs/dbraw/zinc/85/34/12/562853412.db2.gz AFASRBDEVKBMHJ-MHZLTWQESA-N 0 0 654.786 4.908 1 0 KJAFRN O=C1c2ccccc2C(=O)N1OCCN1NC2=C(SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccc(F)cc1 ZINC000169305671 562853455 /nfs/dbraw/zinc/85/34/55/562853455.db2.gz MBDNKDOICSEAER-WUFINQPMSA-N 0 0 617.662 4.981 1 0 KJAFRN Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(CC(=O)NC3CC3)cs2)c1 ZINC000169306741 562853614 /nfs/dbraw/zinc/85/36/14/562853614.db2.gz KUENHNVZSJNAHR-UHFFFAOYSA-N 0 0 562.673 4.783 1 0 KJAFRN CCNC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306743 562853597 /nfs/dbraw/zinc/85/35/97/562853597.db2.gz KMEHSPQCYHMNSS-UHFFFAOYSA-N 0 0 550.662 4.640 1 0 KJAFRN Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(CN3CCOCC3)cs2)c1 ZINC000169306745 562853607 /nfs/dbraw/zinc/85/36/07/562853607.db2.gz UUCGNUHYQJOYNN-UHFFFAOYSA-N 0 0 564.689 4.794 1 0 KJAFRN Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(CN3CCN(C)CC3)cs2)c1 ZINC000169306746 562853600 /nfs/dbraw/zinc/85/36/00/562853600.db2.gz QNNFXXIUYCESNQ-UHFFFAOYSA-N 0 0 577.732 4.709 1 0 KJAFRN COC(CNCc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1)OC ZINC000169306758 562853617 /nfs/dbraw/zinc/85/36/17/562853617.db2.gz QEHMFFGQNSDFFI-UHFFFAOYSA-N 0 0 582.704 4.670 1 0 KJAFRN CCOCn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306764 562853632 /nfs/dbraw/zinc/85/36/32/562853632.db2.gz ZBOYANPQJVBHOG-UHFFFAOYSA-N 0 0 506.584 4.696 1 0 KJAFRN CCOC(=O)c1ccc2[nH]c(-c3ccc(-n4nc5c(c4C)N(C)S(=O)(=O)c4ccccc4-5)cc3)nc2c1 ZINC000169307440 562853813 /nfs/dbraw/zinc/85/38/13/562853813.db2.gz QPBVPZVJDRQPGS-UHFFFAOYSA-N 0 0 513.579 4.706 1 0 KJAFRN CN1c2c(nn(-c3ccc(-c4nc5cncnc5[nH]4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O ZINC000169307859 562853969 /nfs/dbraw/zinc/85/39/69/562853969.db2.gz LTNJPLUZUFEYSP-UHFFFAOYSA-N 0 0 505.563 4.678 1 0 KJAFRN O[C@H](COCCOC[C@@H](O)Cc1ccc(-c2ccccc2)cc1)Cc1cn(Cc2ccc3ccccc3c2)nn1 ZINC000169308007 562853994 /nfs/dbraw/zinc/85/39/94/562853994.db2.gz HQVCYNLHAOODCX-LQJZCPKCSA-N 0 0 537.660 4.687 1 0 KJAFRN O[C@H](COCCOC[C@@H](O)Cc1ccc(-c2ccccc2)cc1)Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000169308009 562853981 /nfs/dbraw/zinc/85/39/81/562853981.db2.gz MLWGUWAHYDNCMU-VMPREFPWSA-N 0 0 555.597 4.552 1 0 KJAFRN C[C@H](N[P@@](=O)(COCCn1cnc2c1ncnc2N)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000169308403 562854076 /nfs/dbraw/zinc/85/40/76/562854076.db2.gz NOUYJIQFZXQAHU-DUMKFREJSA-N 0 0 560.551 4.529 1 0 KJAFRN C[C@H](N[P@](=O)(COCCn1cnc2c1ncnc2N)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000169308404 562854059 /nfs/dbraw/zinc/85/40/59/562854059.db2.gz NOUYJIQFZXQAHU-UJIJOTNSSA-N 0 0 560.551 4.529 1 0 KJAFRN C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(N[C@@H](C)C(=O)OCc1ccccc1)Oc1cccc2ccccc21 ZINC000169308421 562854058 /nfs/dbraw/zinc/85/40/58/562854058.db2.gz LTALVYDDSWMCRQ-QUHMKOPWSA-N 0 0 574.578 4.918 1 0 KJAFRN C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(N[C@@H](C)C(=O)OCc1ccccc1)Oc1cccc2ccccc21 ZINC000169308423 562854054 /nfs/dbraw/zinc/85/40/54/562854054.db2.gz LTALVYDDSWMCRQ-BFOUEQBESA-N 0 0 574.578 4.918 1 0 KJAFRN C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc1cccc2ccccc21 ZINC000169308429 562854075 /nfs/dbraw/zinc/85/40/75/562854075.db2.gz LZOCYNLVAXGUGG-XJRLCUIISA-N 0 0 554.588 4.764 1 0 KJAFRN C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc1cccc2ccccc21 ZINC000169308431 562854073 /nfs/dbraw/zinc/85/40/73/562854073.db2.gz LZOCYNLVAXGUGG-AWBAQCBQSA-N 0 0 554.588 4.764 1 0 KJAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccc(Cl)c(Cl)c3)c2-c2ccccc2S1(=O)=O ZINC000169308547 562854088 /nfs/dbraw/zinc/85/40/88/562854088.db2.gz MMHHHTARWODCCX-UHFFFAOYSA-N 0 0 592.486 4.608 1 0 KJAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccc(Cl)c(C(F)(F)F)c3)c2-c2ccccc2S1(=O)=O ZINC000169308552 562854092 /nfs/dbraw/zinc/85/40/92/562854092.db2.gz NSOUPFDKZPXXRB-UHFFFAOYSA-N 0 0 626.038 4.974 1 0 KJAFRN COc1cc[nH+]c(NCCCOc2ccc(C[C@@H](CC(=O)[O-])NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 ZINC000169308560 562854145 /nfs/dbraw/zinc/85/41/45/562854145.db2.gz PSZYZEZKPQGGPA-QHCPKHFHSA-N 0 0 521.614 4.574 1 0 KJAFRN CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(CC(=O)Nc2ccc(I)cc2Cl)nn1)C(F)(F)F ZINC000169309360 562854336 /nfs/dbraw/zinc/85/43/36/562854336.db2.gz BKCCOLNIWWPJLN-HSZRJFAPSA-N 0 0 662.790 4.989 1 0 KJAFRN CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(CC(=O)Nc2ccc(I)cc2Cl)nn1)C(F)(F)F ZINC000169309361 562854340 /nfs/dbraw/zinc/85/43/40/562854340.db2.gz BKCCOLNIWWPJLN-QHCPKHFHSA-N 0 0 662.790 4.989 1 0 KJAFRN O=S(=O)(c1cccs1)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@H](Cc2ccncc2)C1 ZINC000169309974 562854602 /nfs/dbraw/zinc/85/46/02/562854602.db2.gz PRXHZZRWPPUJSP-IBGZPJMESA-N 0 0 565.561 4.578 1 0 KJAFRN CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000169311646 562855222 /nfs/dbraw/zinc/85/52/22/562855222.db2.gz RVOUCKRTRSBKDU-UHFFFAOYSA-N 0 0 532.949 4.711 1 0 KJAFRN COc1cc(O)c(/C=C/C(=O)O[C@@H](Cc2c(OC)cc3oc(=O)ccc3c2OC)C(C)(C)O)c(OC)c1CC=C(C)C ZINC000169311936 562855228 /nfs/dbraw/zinc/85/52/28/562855228.db2.gz KDIPEMZSOZWDHL-OTQLOIIPSA-N 0 0 582.646 4.980 1 0 KJAFRN CCOP(=O)(CCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)c1)OCC ZINC000169312012 562855292 /nfs/dbraw/zinc/85/52/92/562855292.db2.gz NXOVXPAXEVQTOR-CTRNRRKFSA-N 0 0 810.951 4.903 1 0 KJAFRN COc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000169312035 562855291 /nfs/dbraw/zinc/85/52/91/562855291.db2.gz IAUUKGOIPIKJAO-UHFFFAOYSA-N 0 0 539.386 4.984 1 0 KJAFRN Cc1cccc(CNc2cc(C)c(OCC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)N3CSC(C)(C)[C@H]3C(=O)N[C@H]3c4ccccc4C[C@H]3O)c(C)c2)n1 ZINC000169312349 562855299 /nfs/dbraw/zinc/85/52/99/562855299.db2.gz OEVHOUYASWHPFV-JVGGRAFQSA-N 0 0 751.950 4.541 1 0 KJAFRN O=C(CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000169312861 562855454 /nfs/dbraw/zinc/85/54/54/562855454.db2.gz ULAMKCCWLHFCQY-SZXQPVLSSA-N 0 0 530.669 4.777 1 0 KJAFRN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCC(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)cc1 ZINC000169312864 562855456 /nfs/dbraw/zinc/85/54/56/562855456.db2.gz WGUYUYSGBWRPFQ-SGWCAAJKSA-N 0 0 560.695 4.786 1 0 KJAFRN O=C(NCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000169312866 562855473 /nfs/dbraw/zinc/85/54/73/562855473.db2.gz HJUNDTRMQCCIOE-NHFJDJAPSA-N 0 0 548.659 4.916 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1c(c(Br)c(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000169313193 562855581 /nfs/dbraw/zinc/85/55/81/562855581.db2.gz RYUDSBZBYONADH-MCFWBGNESA-N 0 0 511.409 4.653 1 0 KJAFRN COc1c(Br)c2c(c(OC)c1OC)-c1c(c(OC)c(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000169313201 562855576 /nfs/dbraw/zinc/85/55/76/562855576.db2.gz IPACXCVFVHCSAO-VDBVYFBLSA-N 0 0 541.435 4.662 1 0 KJAFRN CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@@H]2/C=C/[C@@H]2O[C@H](CC(=O)N3CCCC3)C[C@H](O)[C@H]2O)CC=C1C ZINC000169315008 562855772 /nfs/dbraw/zinc/85/57/72/562855772.db2.gz QDIBLNRACKDSGU-LRPQTZHYSA-N 0 0 527.746 4.969 1 0 KJAFRN CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@@H]2/C=C/[C@@H]2O[C@H](CC(=O)OC)C[C@H](OC=O)[C@H]2OC=O)CC=C1C ZINC000169315018 562855768 /nfs/dbraw/zinc/85/57/68/562855768.db2.gz SHBDPWKJUIKFFY-GUGOWWPZSA-N 0 0 544.685 4.881 1 0 KJAFRN COc1ccc(COC[C@@H](C)[C@@H](O)C[C@H]2CCC[C@H](OC)C/C=C\C=C\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O2)cc1 ZINC000169315159 562855790 /nfs/dbraw/zinc/85/57/90/562855790.db2.gz LPDYEVXBRKGTHC-GXMNAHFASA-N 0 0 634.851 4.983 1 0 KJAFRN COc1ccc(C2=NN(CCCCC(=O)Nc3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC ZINC000169316922 562855877 /nfs/dbraw/zinc/85/58/77/562855877.db2.gz YBCWUCNBLGPSSQ-BUUDZMLXSA-N 0 0 571.678 4.502 1 0 KJAFRN COc1ccc(C2=NN(CCCCC(=O)Nc3ccc(C4=NNC(=O)C[C@@H]4C)cc3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC ZINC000169316926 562855884 /nfs/dbraw/zinc/85/58/84/562855884.db2.gz YBCWUCNBLGPSSQ-AMDXRBSFSA-N 0 0 571.678 4.502 1 0 KJAFRN CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000169317286 562855943 /nfs/dbraw/zinc/85/59/43/562855943.db2.gz YZTWXHSWFLKSLQ-OWQJOFKLSA-N 0 0 620.824 4.885 1 0 KJAFRN CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO ZINC000169317290 562855917 /nfs/dbraw/zinc/85/59/17/562855917.db2.gz YZTWXHSWFLKSLQ-BKQYAYGCSA-N 0 0 620.824 4.885 1 0 KJAFRN CCOP(=O)(CCc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1)OCC ZINC000169321774 562856762 /nfs/dbraw/zinc/85/67/62/562856762.db2.gz YHBIAAZYUVTXCE-NKVOBILMSA-N 0 0 726.826 4.610 1 0 KJAFRN CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(=O)NCCN1CCOCC1)C(C)C ZINC000169321985 562856758 /nfs/dbraw/zinc/85/67/58/562856758.db2.gz BLFUASLRZDWGFS-CJGFEETBSA-N 0 0 753.993 4.787 1 0 KJAFRN COc1cc2cccnc2c(NCCCN2CC[NH+](CCCNc3cc(OC)cc4cccnc43)CC2)c1 ZINC000169322725 562856856 /nfs/dbraw/zinc/85/68/56/562856856.db2.gz USQURGGLRHFKFN-UHFFFAOYSA-N 0 0 514.674 4.722 1 0 KJAFRN CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1-c1cc2cc(C(F)(F)F)ccc2n1S(C)(=O)=O ZINC000169323464 562857056 /nfs/dbraw/zinc/85/70/56/562857056.db2.gz ADVXRMAWKFCCMA-UHFFFAOYSA-N 0 0 500.442 4.525 1 0 KJAFRN COc1cc(-n2nnnc2-c2ccc(OC[C@@H]3CC(c4ccc(C(F)(F)F)cc4)=NO3)c(N)c2)cc(OC)c1OC ZINC000169323617 562857136 /nfs/dbraw/zinc/85/71/36/562857136.db2.gz HEWYMUTZTPWMRK-IBGZPJMESA-N 0 0 570.528 4.528 1 0 KJAFRN COc1cc(-n2nnnc2-c2ccc(OC[C@H]3CC(c4ccc(C(F)(F)F)cc4)=NO3)c(N)c2)cc(OC)c1OC ZINC000169323620 562857114 /nfs/dbraw/zinc/85/71/14/562857114.db2.gz HEWYMUTZTPWMRK-LJQANCHMSA-N 0 0 570.528 4.528 1 0 KJAFRN CCN1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCOCC3)n2)CC1 ZINC000169323837 562857145 /nfs/dbraw/zinc/85/71/45/562857145.db2.gz FPQVFOFVTQNGOK-UHFFFAOYSA-N 0 0 546.079 4.539 1 0 KJAFRN Clc1ccc2c(c1)nccc2Nc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000169323841 562857166 /nfs/dbraw/zinc/85/71/66/562857166.db2.gz DGLMYSRXOPVICU-UHFFFAOYSA-N 0 0 576.105 4.531 1 0 KJAFRN CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc(C(=O)OCc3ccccc3)cc2)ncc1F ZINC000169324333 562857326 /nfs/dbraw/zinc/85/73/26/562857326.db2.gz XXYATBBXOIXAIW-UHFFFAOYSA-N 0 0 507.547 4.831 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)c1coc([C@@H](NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)[C@@H](C)CC)n1)c1nc(C(=O)OC)co1 ZINC000169324665 562857398 /nfs/dbraw/zinc/85/73/98/562857398.db2.gz UVAYCIDWHOODKY-QDGJQWLKSA-N 0 0 632.740 4.965 1 0 KJAFRN O=C(NCc1ccccc1)c1cccc2[nH]c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c21 ZINC000169324791 562857461 /nfs/dbraw/zinc/85/74/61/562857461.db2.gz JNGIGXUOJGNZTA-UHFFFAOYSA-N 0 0 501.550 4.567 1 0 KJAFRN COc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000169324793 562857467 /nfs/dbraw/zinc/85/74/67/562857467.db2.gz OTNLDTIIAFAEAX-UHFFFAOYSA-N 0 0 515.577 4.870 1 0 KJAFRN COc1cc(Nc2nnc(-c3cccnc3Nc3cc(OC)c(OC)c(OC)c3)o2)cc(OC)c1OC ZINC000169325176 562857550 /nfs/dbraw/zinc/85/75/50/562857550.db2.gz FCSAHLWLUXIBAR-UHFFFAOYSA-N 0 0 509.519 4.670 1 0 KJAFRN CC[C@H](C)[C@@H]1NC(=O)c2coc(n2)[C@H]([C@@H](C)CC)NC(=O)c2coc(n2)[C@H]([C@@H](C)CC)NC(=O)c2coc1n2 ZINC000169325368 562857600 /nfs/dbraw/zinc/85/76/00/562857600.db2.gz FOVANALZIUJXDL-XDLUYZMFSA-N 0 0 540.621 4.516 1 0 KJAFRN CCOC(=O)c1cn(Cc2ccccc2F)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326079 562857710 /nfs/dbraw/zinc/85/77/10/562857710.db2.gz JSCXSFXDYLOKIW-UHFFFAOYSA-N 0 0 543.624 4.697 1 0 KJAFRN CCOC(=O)c1cn(Cc2ccccc2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326084 562857694 /nfs/dbraw/zinc/85/76/94/562857694.db2.gz CCEOWGJJWXOSCI-UHFFFAOYSA-N 0 0 525.634 4.558 1 0 KJAFRN COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169326099 562857707 /nfs/dbraw/zinc/85/77/07/562857707.db2.gz RUSICYIVUADRSX-UHFFFAOYSA-N 0 0 668.820 4.503 1 0 KJAFRN CC(C)(C)CNC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000169326868 562857849 /nfs/dbraw/zinc/85/78/49/562857849.db2.gz CSNWOMFOHRLZGI-KYJUHHDHSA-N 0 0 619.206 4.744 1 0 KJAFRN CC[C@@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1OC)[N@@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169326870 562857827 /nfs/dbraw/zinc/85/78/27/562857827.db2.gz LWVFVEIAPUMILP-AVRDEDQJSA-N 0 0 528.005 4.786 1 0 KJAFRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2coc3ccc(Br)cc3c2=O)C(=O)N1c1ccccc1 ZINC000169327156 562858021 /nfs/dbraw/zinc/85/80/21/562858021.db2.gz XGGAHKTYOICZKD-AKFKNWHVSA-N 0 0 517.335 4.607 1 0 KJAFRN COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169327750 562858137 /nfs/dbraw/zinc/85/81/37/562858137.db2.gz PTNLKWJYWYHWJE-UHFFFAOYSA-N 0 0 567.715 4.932 1 0 KJAFRN COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCNC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169327759 562858146 /nfs/dbraw/zinc/85/81/46/562858146.db2.gz OMRDBXLTKZZDHE-UHFFFAOYSA-N 0 0 652.821 4.828 1 0 KJAFRN COC(=O)c1cc(OCCCCCCOc2ccc(NC(=O)Cc3ccccc3)cc2)cc(C(=O)OC)n1 ZINC000169327769 562858163 /nfs/dbraw/zinc/85/81/63/562858163.db2.gz IEMVGRABUSWKRY-UHFFFAOYSA-N 0 0 520.582 4.854 1 0 KJAFRN CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327855 562858187 /nfs/dbraw/zinc/85/81/87/562858187.db2.gz RXEXUJNNVPOWGW-WRALFONMSA-N 0 0 511.347 4.903 1 0 KJAFRN CCOC(=O)c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4nc5ccccc5o4)CC3)ccc2c1=O ZINC000169327922 562858176 /nfs/dbraw/zinc/85/81/76/562858176.db2.gz NXIQYIVWNBRRNK-UHFFFAOYSA-N 0 0 562.001 4.882 1 0 KJAFRN CCc1c(=O)[nH]c(=O)n(COCc2ccc(I)cc2)c1[C@@H](F)c1cc(C)cc(C)c1 ZINC000169328320 562858354 /nfs/dbraw/zinc/85/83/54/562858354.db2.gz WRQFBNHIVRKDNF-FQEVSTJZSA-N 0 0 522.358 4.554 1 0 KJAFRN CCc1c(=O)[nH]c(=O)n(COCc2ccc(I)cc2)c1[C@H](F)c1cc(C)cc(C)c1 ZINC000169328321 562858327 /nfs/dbraw/zinc/85/83/27/562858327.db2.gz WRQFBNHIVRKDNF-HXUWFJFHSA-N 0 0 522.358 4.554 1 0 KJAFRN CCc1c(=O)n(COCc2ccc(I)cc2)c(=O)[nH]c1[C@@H](F)c1cc(C)cc(C)c1 ZINC000169328323 562858312 /nfs/dbraw/zinc/85/83/12/562858312.db2.gz ILJJQSGHXBBSOT-FQEVSTJZSA-N 0 0 522.358 4.554 1 0 KJAFRN CCc1c(=O)n(COCc2ccc(I)cc2)c(=O)[nH]c1[C@H](F)c1cc(C)cc(C)c1 ZINC000169328325 562858305 /nfs/dbraw/zinc/85/83/05/562858305.db2.gz ILJJQSGHXBBSOT-HXUWFJFHSA-N 0 0 522.358 4.554 1 0 KJAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1ccccc1F)CC2 ZINC000169329079 562858424 /nfs/dbraw/zinc/85/84/24/562858424.db2.gz KTKBBLGFSZKYTK-IBGZPJMESA-N 0 0 513.949 4.958 1 0 KJAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1cccc(F)c1)CC2 ZINC000169329081 562858427 /nfs/dbraw/zinc/85/84/27/562858427.db2.gz PYQXPYNQYRJBTB-IBGZPJMESA-N 0 0 513.949 4.958 1 0 KJAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1ccc(F)cc1)CC2 ZINC000169329083 562858426 /nfs/dbraw/zinc/85/84/26/562858426.db2.gz CEONKODYXIALEU-IBGZPJMESA-N 0 0 513.949 4.958 1 0 KJAFRN COc1ccccc1C(=O)N[C@H]1CCc2c(Cl)c(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 ZINC000169329087 562858421 /nfs/dbraw/zinc/85/84/21/562858421.db2.gz SYZKONUXEXQRCU-IBGZPJMESA-N 0 0 525.985 4.828 1 0 KJAFRN COc1cccc(C(=O)N[C@H]2CCc3c(Cl)c(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)c1 ZINC000169329089 562858436 /nfs/dbraw/zinc/85/84/36/562858436.db2.gz YDAWUTZZKXZPGC-FQEVSTJZSA-N 0 0 525.985 4.828 1 0 KJAFRN COc1ccc(C(=O)N[C@H]2CCc3c(Cl)c(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc1 ZINC000169329090 562858447 /nfs/dbraw/zinc/85/84/47/562858447.db2.gz HOSOAPUTXTUDBA-FQEVSTJZSA-N 0 0 525.985 4.828 1 0 KJAFRN COc1ccc(C(=O)N[C@H]2CCc3c(Cl)c(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)c(OC)c1 ZINC000169329092 562858459 /nfs/dbraw/zinc/85/84/59/562858459.db2.gz WIVPEJLSBFQPOI-FQEVSTJZSA-N 0 0 556.011 4.836 1 0 KJAFRN COc1cc(OC)cc(C(=O)N[C@H]2CCc3c(Cl)c(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)c1 ZINC000169329094 562858455 /nfs/dbraw/zinc/85/84/55/562858455.db2.gz ULZRORSWYFXFHE-NRFANRHFSA-N 0 0 556.011 4.836 1 0 KJAFRN COc1cc(C(=O)N[C@H]2CCc3c(Cl)c(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc(OC)c1OC ZINC000169329096 562858463 /nfs/dbraw/zinc/85/84/63/562858463.db2.gz OSXVIFQURUWZJV-IBGZPJMESA-N 0 0 586.037 4.845 1 0 KJAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1ccccc1N(C)C)CC2 ZINC000169329113 562858472 /nfs/dbraw/zinc/85/84/72/562858472.db2.gz CGXLQKMCMNAWFZ-FQEVSTJZSA-N 0 0 539.028 4.885 1 0 KJAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1cccc(N(C)C)c1)CC2 ZINC000169329115 562858461 /nfs/dbraw/zinc/85/84/61/562858461.db2.gz DDLNIKRDDZNKDA-NRFANRHFSA-N 0 0 539.028 4.885 1 0 KJAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1ccc(N(C)C)cc1)CC2 ZINC000169329117 562858451 /nfs/dbraw/zinc/85/84/51/562858451.db2.gz GOJQYUAHGDPUPY-NRFANRHFSA-N 0 0 539.028 4.885 1 0 KJAFRN Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2nc(C(C)(C)C)no2)NC(=O)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000169329246 562858462 /nfs/dbraw/zinc/85/84/62/562858462.db2.gz DPGQQXHQAVXKQK-KYJUHHDHSA-N 0 0 648.764 4.501 1 0 KJAFRN CC[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1F)[N@@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329352 562858492 /nfs/dbraw/zinc/85/84/92/562858492.db2.gz JZHGXKCQSQSQTR-LAUBAEHRSA-N 0 0 515.969 4.916 1 0 KJAFRN CC[C@@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1F)[N@@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329353 562858533 /nfs/dbraw/zinc/85/85/33/562858533.db2.gz JZHGXKCQSQSQTR-UWJYYQICSA-N 0 0 515.969 4.916 1 0 KJAFRN CC1=CC(C)=NN2C=Nc3c(c(-c4ccc(Br)cc4)cn3-c3ccc(S(N)(=O)=O)cc3)C2=N1 ZINC000169330476 562858701 /nfs/dbraw/zinc/85/87/01/562858701.db2.gz NFHGGFVOLNWVNZ-UHFFFAOYSA-N 0 0 523.416 4.570 1 0 KJAFRN O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOC4=C(c5ccccc5Cl)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169331635 562859022 /nfs/dbraw/zinc/85/90/22/562859022.db2.gz UPLRJHUBGQHJSX-UHFFFAOYSA-N 0 0 622.024 4.727 1 0 KJAFRN CC(C)(C)c1ccc(C(=O)OC[C@H]2O[C@@H]3[C@H](Oc4nc(=N)ccn43)[C@@H]2OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000169331656 562859046 /nfs/dbraw/zinc/85/90/46/562859046.db2.gz POOIRKJOVGMYPW-VNSJUHMKSA-N 0 0 545.636 4.699 1 0 KJAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](CC)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169331926 562859087 /nfs/dbraw/zinc/85/90/87/562859087.db2.gz FENPOBGBVDMUOV-RHASTOONSA-N 0 0 596.721 4.520 1 0 KJAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169332006 562859080 /nfs/dbraw/zinc/85/90/80/562859080.db2.gz DCKJSLKYPRSJEJ-LSYDWTRZSA-N 0 0 596.721 4.520 1 0 KJAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169332007 562859066 /nfs/dbraw/zinc/85/90/66/562859066.db2.gz DCKJSLKYPRSJEJ-XDNCGZIPSA-N 0 0 596.721 4.520 1 0 KJAFRN COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169332125 562859104 /nfs/dbraw/zinc/85/91/04/562859104.db2.gz WBCDPYPSNVABPM-UHFFFAOYSA-N 0 0 597.741 4.697 1 0 KJAFRN CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333273 562859237 /nfs/dbraw/zinc/85/92/37/562859237.db2.gz RYDLATZAWFOWDC-GMHXCBBGSA-N 0 0 588.698 4.849 1 0 KJAFRN CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(CCCNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333280 562859239 /nfs/dbraw/zinc/85/92/39/562859239.db2.gz ZJQNHMGFUWXOJI-OFBUEZQXSA-N 0 0 590.714 4.769 1 0 KJAFRN CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)CCCCc3coc(CCCNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333285 562859233 /nfs/dbraw/zinc/85/92/33/562859233.db2.gz ZGNFKMLORUFPHO-RDSPADBZSA-N 0 0 592.730 4.993 1 0 KJAFRN CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ncnc3[nH]ccc32)c(F)c1 ZINC000169333356 562859262 /nfs/dbraw/zinc/85/92/62/562859262.db2.gz HYZYPROWAFJCGI-UHFFFAOYSA-N 0 0 503.465 4.830 1 0 KJAFRN [NH3+][C@@H](Cc1cc(Cl)c(Oc2cc(I)c(O)c(I)c2)c(Cl)c1)C(=O)[O-] ZINC000169334275 562859466 /nfs/dbraw/zinc/85/94/66/562859466.db2.gz UWABJXILJKHLOA-LBPRGKRZSA-N 0 0 593.970 4.655 1 0 KJAFRN [NH3+][C@H](Cc1cc(Cl)c(Oc2cc(I)c(O)c(I)c2)c(Cl)c1)C(=O)[O-] ZINC000169334277 562859458 /nfs/dbraw/zinc/85/94/58/562859458.db2.gz UWABJXILJKHLOA-GFCCVEGCSA-N 0 0 593.970 4.655 1 0 KJAFRN O=C([O-])c1cccc(C2CC[NH+]([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)c1 ZINC000169334919 562859547 /nfs/dbraw/zinc/85/95/47/562859547.db2.gz MVFGTDJLYMOUKV-RGODFAACSA-N 0 0 543.586 4.501 1 0 KJAFRN O=C([O-])c1ccc(C2CC[NH+]([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)cc1 ZINC000169334922 562859540 /nfs/dbraw/zinc/85/95/40/562859540.db2.gz QTMUIOFRNWYQBV-RGODFAACSA-N 0 0 543.586 4.501 1 0 KJAFRN O=C([O-])c1cccc(C2CC[NH+]([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 ZINC000169334925 562859543 /nfs/dbraw/zinc/85/95/43/562859543.db2.gz FQYRWJAMMHBDPI-RGODFAACSA-N 0 0 544.570 4.899 1 0 KJAFRN CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@@H](C2CCN(c4ncc(C(F)(F)F)cn4)CC2)O3)CC1 ZINC000169336006 562859788 /nfs/dbraw/zinc/85/97/88/562859788.db2.gz OJQMXDUETVOTAM-DEOSSOPVSA-N 0 0 536.620 4.544 1 0 KJAFRN CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@H](C2CCN(c4ncc(C(F)(F)F)cn4)CC2)O3)CC1 ZINC000169336008 562859782 /nfs/dbraw/zinc/85/97/82/562859782.db2.gz OJQMXDUETVOTAM-XMMPIXPASA-N 0 0 536.620 4.544 1 0 KJAFRN COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000169336351 562859841 /nfs/dbraw/zinc/85/98/41/562859841.db2.gz CWXFSLXABKJDBZ-DHZHZOJOSA-N 0 0 537.565 4.630 1 0 KJAFRN COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000169336353 562859847 /nfs/dbraw/zinc/85/98/47/562859847.db2.gz NFQHCQOBNDVFMU-XYOKQWHBSA-N 0 0 507.539 4.621 1 0 KJAFRN CCCc1cnc(N2CCC([C@@H]3Cc4c(ccc(C5=CCN(S(=O)(=O)CCC)CC5)c4F)O3)CC2)nc1 ZINC000169337182 562859962 /nfs/dbraw/zinc/85/99/62/562859962.db2.gz PTPNJFIDUNZFMA-SANMLTNESA-N 0 0 528.694 4.617 1 0 KJAFRN CCCc1cnc(N2CCC([C@H]3Cc4c(ccc(C5=CCN(S(=O)(=O)CCC)CC5)c4F)O3)CC2)nc1 ZINC000169337184 562859951 /nfs/dbraw/zinc/85/99/51/562859951.db2.gz PTPNJFIDUNZFMA-AREMUKBSSA-N 0 0 528.694 4.617 1 0 KJAFRN CCCc1cnc(N2CCC([C@@H]3Cc4c(c(F)cc(C5=CCN(S(=O)(=O)CCC)CC5)c4F)O3)CC2)nc1 ZINC000169337186 562859965 /nfs/dbraw/zinc/85/99/65/562859965.db2.gz JIPNDUPRBGRSEZ-VWLOTQADSA-N 0 0 546.684 4.756 1 0 KJAFRN CCCc1cnc(N2CCC([C@H]3Cc4c(c(F)cc(C5=CCN(S(=O)(=O)CCC)CC5)c4F)O3)CC2)nc1 ZINC000169337187 562859940 /nfs/dbraw/zinc/85/99/40/562859940.db2.gz JIPNDUPRBGRSEZ-RUZDIDTESA-N 0 0 546.684 4.756 1 0 KJAFRN CCCc1cnc(N2CCC([C@@]3(C)Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)ccc4O3)CC2)nc1 ZINC000169337189 562859946 /nfs/dbraw/zinc/85/99/46/562859946.db2.gz IUUFBIKIBRLDFT-GDLZYMKVSA-N 0 0 524.731 4.868 1 0 KJAFRN CCCc1cnc(N2CCC([C@]3(C)Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)ccc4O3)CC2)nc1 ZINC000169337190 562859932 /nfs/dbraw/zinc/85/99/32/562859932.db2.gz IUUFBIKIBRLDFT-LJAQVGFWSA-N 0 0 524.731 4.868 1 0 KJAFRN CCCc1cnc(N2CCC([C@@H]3Cc4c(c(F)cc(C5=CCN(S(=O)(=O)CCC(C)(C)O)CC5)c4F)O3)CC2)nc1 ZINC000169337200 562859933 /nfs/dbraw/zinc/85/99/33/562859933.db2.gz RLNJMHMBIJOATD-SANMLTNESA-N 0 0 590.737 4.507 1 0 KJAFRN CCCc1cnc(N2CCC([C@H]3Cc4c(c(F)cc(C5=CCN(S(=O)(=O)CCC(C)(C)O)CC5)c4F)O3)CC2)nc1 ZINC000169337202 562859974 /nfs/dbraw/zinc/85/99/74/562859974.db2.gz RLNJMHMBIJOATD-AREMUKBSSA-N 0 0 590.737 4.507 1 0 KJAFRN COc1cc(/C=C/C(=O)Nc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC)cc(OC)c1OC ZINC000169337437 562860043 /nfs/dbraw/zinc/86/00/43/562860043.db2.gz QNBBXEWRYUFRFI-MDZDMXLPSA-N 0 0 567.591 4.638 1 0 KJAFRN COc1ccc(/C=C/C(=O)Nc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC)cc1OC ZINC000169337438 562860029 /nfs/dbraw/zinc/86/00/29/562860029.db2.gz MYVHWZPGCKEWKN-PKNBQFBNSA-N 0 0 537.565 4.630 1 0 KJAFRN COc1ccc(/C=C/C(=O)Nc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC)cc1 ZINC000169337439 562860006 /nfs/dbraw/zinc/86/00/06/562860006.db2.gz FSZFJOXTUBKXAI-FMIVXFBMSA-N 0 0 507.539 4.621 1 0 KJAFRN COc1cccc(/C=C/C(=O)Nc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC)c1 ZINC000169337440 562860011 /nfs/dbraw/zinc/86/00/11/562860011.db2.gz SROBPJJBLRYOIO-ZHACJKMWSA-N 0 0 507.539 4.621 1 0 KJAFRN [NH3+][C@@H](Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(Br)c1)C(=O)[O-] ZINC000169337934 562860175 /nfs/dbraw/zinc/86/01/75/562860175.db2.gz MILGYTQJZJXEAP-LBPRGKRZSA-N 0 0 682.872 4.873 1 0 KJAFRN COc1ccc([C@@H]2[C@H](COC(=O)c3ccccc3)OC(=O)N2c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000169338404 562860227 /nfs/dbraw/zinc/86/02/27/562860227.db2.gz JGXHVXYJYWXTSP-IZZNHLLZSA-N 0 0 506.530 4.594 1 0 KJAFRN COc1ccc([C@@H]2[C@@H](COC(=O)c3ccccc3)OC(=O)N2c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000169338410 562860223 /nfs/dbraw/zinc/86/02/23/562860223.db2.gz JGXHVXYJYWXTSP-CLJLJLNGSA-N 0 0 506.530 4.594 1 0 KJAFRN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)/C(=C/c1ccc2ccccc2c1)NC(C)=O)C(C)(C)C ZINC000169338820 562860338 /nfs/dbraw/zinc/86/03/38/562860338.db2.gz RJZLUMYJSXLAPK-HJGQISHVSA-N 0 0 549.712 4.840 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)c3ccc5ccccc5n3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000169338932 562860349 /nfs/dbraw/zinc/86/03/49/562860349.db2.gz NDMMBYZDAWYCKS-FCIYMPKPSA-N 0 0 555.539 4.519 1 0 KJAFRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000169340192 562860605 /nfs/dbraw/zinc/86/06/05/562860605.db2.gz PBQQMXSGXHWZMB-UHFFFAOYSA-N 0 0 534.613 4.568 1 0 KJAFRN Cc1ccc(NC(=O)c2cn(C(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000169340226 562860595 /nfs/dbraw/zinc/86/05/95/562860595.db2.gz ISHGZEDRYMCAED-UHFFFAOYSA-N 0 0 536.576 4.731 1 0 KJAFRN COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(-n3cc(COc4ccc5ccccc5c4)nn3)cc1)CC2 ZINC000169340277 562860599 /nfs/dbraw/zinc/86/05/99/562860599.db2.gz RNCVGHVDROONIF-UHFFFAOYSA-N 0 0 556.644 4.764 1 0 KJAFRN Cc1c(NC(=O)c2ccccc2)cccc1-c1nc2nc[nH]c2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000169341174 562860742 /nfs/dbraw/zinc/86/07/42/562860742.db2.gz BABYKTXXKLSZJP-UHFFFAOYSA-N 0 0 533.592 4.797 1 0 KJAFRN Cc1c(NC(=O)C(C)(C)C)cccc1-c1nc2nc[nH]c2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000169341177 562860765 /nfs/dbraw/zinc/86/07/65/562860765.db2.gz WPTWJMVWWVZNDS-UHFFFAOYSA-N 0 0 513.602 4.529 1 0 KJAFRN Cc1c(NC(=O)NC2CCCCC2)cccc1-c1nc2nc[nH]c2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000169341185 562860758 /nfs/dbraw/zinc/86/07/58/562860758.db2.gz XLPIEXPEDXOBLS-UHFFFAOYSA-N 0 0 554.655 4.999 1 0 KJAFRN Cc1ccccc1C1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccco2)CC1 ZINC000169341203 562860751 /nfs/dbraw/zinc/86/07/51/562860751.db2.gz RTOHMZRZAFCVTC-UHFFFAOYSA-N 0 0 528.653 4.967 1 0 KJAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)C[C@@H]1C ZINC000169341204 562860746 /nfs/dbraw/zinc/86/07/46/562860746.db2.gz JFJRUBXTYITQKL-QHCPKHFHSA-N 0 0 584.721 4.570 1 0 KJAFRN NC(=O)N1CCC[C@@H]2[C@H](C(=O)N3CCN([C@@H]4c5ccc(Cl)cc5CCc5cc(Br)cnc54)CC3)CCC[C@@H]21 ZINC000169341266 562860801 /nfs/dbraw/zinc/86/08/01/562860801.db2.gz QEOWVJCKYYIHBH-HIQYAUPDSA-N 0 0 600.989 4.789 1 0 KJAFRN O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3n[nH]nc3C(F)(F)F)CS[C@H]12 ZINC000169342112 562860955 /nfs/dbraw/zinc/86/09/55/562860955.db2.gz NGLGRZXFOMEDLJ-AJTFRIOCSA-N 0 0 625.654 4.572 1 0 KJAFRN O=c1nccc2n1ccn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000169342166 562860952 /nfs/dbraw/zinc/86/09/52/562860952.db2.gz MPDMNCVWYFFGIY-WPFAILKGSA-N 0 0 537.616 4.781 1 0 KJAFRN [NH3+][C@H](Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(Br)c1)C(=O)[O-] ZINC000169342219 562860969 /nfs/dbraw/zinc/86/09/69/562860969.db2.gz MILGYTQJZJXEAP-GFCCVEGCSA-N 0 0 682.872 4.873 1 0 KJAFRN COc1ccc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc1C(C)C ZINC000169342231 562860980 /nfs/dbraw/zinc/86/09/80/562860980.db2.gz YSUZCDRYHIUXDK-MRXNPFEDSA-N 0 0 581.188 4.775 1 0 KJAFRN COc1ccc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)cc1C(C)C ZINC000169342233 562860991 /nfs/dbraw/zinc/86/09/91/562860991.db2.gz YSUZCDRYHIUXDK-INIZCTEOSA-N 0 0 581.188 4.775 1 0 KJAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC3CCCCC3)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343508 562861169 /nfs/dbraw/zinc/86/11/69/562861169.db2.gz RJSDQTQDRDNKEG-HBXVNHQHSA-N 0 0 603.584 4.682 1 0 KJAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC3CCCCC3)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343509 562861187 /nfs/dbraw/zinc/86/11/87/562861187.db2.gz RJSDQTQDRDNKEG-LKYPSOPDSA-N 0 0 603.584 4.682 1 0 KJAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OCc3ccccc3)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343512 562861191 /nfs/dbraw/zinc/86/11/91/562861191.db2.gz NZISFIVVMCCQDC-ATDGALEDSA-N 0 0 611.563 4.549 1 0 KJAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OCc3ccccc3)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343513 562861179 /nfs/dbraw/zinc/86/11/79/562861179.db2.gz NZISFIVVMCCQDC-GGSVIYLNSA-N 0 0 611.563 4.549 1 0 KJAFRN COc1ccc([C@@H](C)NC(=O)c2csc([C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)cc1 ZINC000169343800 562861242 /nfs/dbraw/zinc/86/12/42/562861242.db2.gz ZGDYPCDISGHJDO-MWTRTKDXSA-N 0 0 527.643 4.796 1 0 KJAFRN COc1cc(NC(=O)c2csc([C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)cc(OC)c1 ZINC000169343801 562861257 /nfs/dbraw/zinc/86/12/57/562861257.db2.gz IIVCWTLTXFANMT-QFIPXVFZSA-N 0 0 529.615 4.566 1 0 KJAFRN COc1cc(NC(=O)c2csc([C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)cc(OC)c1OC ZINC000169343802 562861232 /nfs/dbraw/zinc/86/12/32/562861232.db2.gz MJFZUKFRHKPJBS-QFIPXVFZSA-N 0 0 559.641 4.574 1 0 KJAFRN COc1cc2c(cc1OC)CN(C(=O)c1csc([C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n1)CC2 ZINC000169343808 562861291 /nfs/dbraw/zinc/86/12/91/562861291.db2.gz YATFXDXQTJNDES-VWLOTQADSA-N 0 0 569.680 4.512 1 0 KJAFRN CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc1n2 ZINC000169343822 562861264 /nfs/dbraw/zinc/86/12/64/562861264.db2.gz MCTYQNKZLHHNCP-BZSNNMDCSA-N 0 0 546.744 4.751 1 0 KJAFRN COc1cccc(Cn2cc(CNc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(-c3cccc(OC)c3)n2)c1 ZINC000169343959 562861304 /nfs/dbraw/zinc/86/13/04/562861304.db2.gz TXZDXFGWOHQAMF-UHFFFAOYSA-N 0 0 562.692 4.557 1 0 KJAFRN CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)O3 ZINC000169344372 562861327 /nfs/dbraw/zinc/86/13/27/562861327.db2.gz UPJMRSIIYYLXAY-CYFHKMNFSA-N 0 0 636.694 4.876 1 0 KJAFRN CCNC(=O)c1cnc(N2CC[N@H+](C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](C3CC3)C2)c(Cl)c1 ZINC000169344685 562861458 /nfs/dbraw/zinc/86/14/58/562861458.db2.gz BNSISGSQGFUVIN-RUZDIDTESA-N 0 0 534.507 4.842 1 0 KJAFRN COc1ccc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc1C(C)(C)C ZINC000169345412 562861610 /nfs/dbraw/zinc/86/16/10/562861610.db2.gz JXJBOGNCYIWFGQ-MRXNPFEDSA-N 0 0 595.215 4.949 1 0 KJAFRN COc1ccc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)cc1C(C)(C)C ZINC000169345414 562861608 /nfs/dbraw/zinc/86/16/08/562861608.db2.gz JXJBOGNCYIWFGQ-INIZCTEOSA-N 0 0 595.215 4.949 1 0 KJAFRN [NH3+][C@H](Cc1cc(I)c(Oc2cccc(C(F)(F)F)c2)c(I)c1)C(=O)[O-] ZINC000169345431 562861599 /nfs/dbraw/zinc/86/15/99/562861599.db2.gz SYBMPHZCJAOJFV-CYBMUJFWSA-N 0 0 577.078 4.661 1 0 KJAFRN CC(C)c1cccc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)c1 ZINC000169345439 562861640 /nfs/dbraw/zinc/86/16/40/562861640.db2.gz VJSIUDCAFNUMJU-MRXNPFEDSA-N 0 0 551.162 4.766 1 0 KJAFRN CC(C)(C)c1cccc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)c1 ZINC000169345442 562861615 /nfs/dbraw/zinc/86/16/15/562861615.db2.gz UXWAWTYGENGNMR-MRXNPFEDSA-N 0 0 565.189 4.940 1 0 KJAFRN COc1nn2c(=O)n(Cc3ccc(C(F)(F)F)nc3)nc2c(-c2ccncc2)c1-c1ccc(Cl)cc1 ZINC000169346538 562861803 /nfs/dbraw/zinc/86/18/03/562861803.db2.gz SQUIAAXWRYTPIR-UHFFFAOYSA-N 0 0 512.879 4.744 1 0 KJAFRN CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3)n2c1=O ZINC000169346544 562861798 /nfs/dbraw/zinc/86/17/98/562861798.db2.gz PEMIFSRCWZWBKB-UHFFFAOYSA-N 0 0 526.906 4.522 1 0 KJAFRN CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169346545 562861807 /nfs/dbraw/zinc/86/18/07/562861807.db2.gz JCIBBNGOHWXOKG-UHFFFAOYSA-N 0 0 540.933 4.831 1 0 KJAFRN CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3F)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169346558 562861785 /nfs/dbraw/zinc/86/17/85/562861785.db2.gz RSYWEFIQLHVGST-UHFFFAOYSA-N 0 0 558.923 4.970 1 0 KJAFRN COC(=O)[C@@H](C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc(O)c3c2=O)S1)OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169347520 562862011 /nfs/dbraw/zinc/86/20/11/562862011.db2.gz GDGCTIAFZLPJII-UYXZNNOOSA-N 0 0 664.529 4.554 1 0 KJAFRN CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348466 562862259 /nfs/dbraw/zinc/86/22/59/562862259.db2.gz QOSZBBSALNAQGH-PMERELPUSA-N 0 0 628.770 4.734 1 0 KJAFRN CC(C)(C)NC(=O)C1(N(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C2CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000169348497 562862273 /nfs/dbraw/zinc/86/22/73/562862273.db2.gz YNKDPYXPYIVJNR-DEOSSOPVSA-N 0 0 586.774 4.798 1 0 KJAFRN C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H](CC[C@@H](OC(=O)C(F)(F)F)[C@]2(C)O)[C@](C)(CCC2=CC(=O)OC2)[C@@H]1C ZINC000169348826 562862394 /nfs/dbraw/zinc/86/23/94/562862394.db2.gz CVCGTLFZBOLBJI-ORXGCSRISA-N 0 0 530.580 4.815 1 0 KJAFRN CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccccc5)CC4)cc3)n2)c1 ZINC000169349190 562862449 /nfs/dbraw/zinc/86/24/49/562862449.db2.gz WLMNKPZFGDGAIG-UHFFFAOYSA-N 0 0 557.632 4.915 1 0 KJAFRN CCOC(=O)CNC(=O)c1oc2cc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2c1C ZINC000169349721 562862689 /nfs/dbraw/zinc/86/26/89/562862689.db2.gz XDFHPGCORBLBSQ-UHFFFAOYSA-N 0 0 617.058 4.931 1 0 KJAFRN CCOC(=O)CNC(=O)c1coc2cc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12 ZINC000169349722 562862710 /nfs/dbraw/zinc/86/27/10/562862710.db2.gz VVMFKQLKBLLYLF-UHFFFAOYSA-N 0 0 603.031 4.623 1 0 KJAFRN CCOC(=O)CNC(=O)Cc1coc2cc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12 ZINC000169349723 562862693 /nfs/dbraw/zinc/86/26/93/562862693.db2.gz ZTZXQRSNEBZXKU-UHFFFAOYSA-N 0 0 617.058 4.551 1 0 KJAFRN COc1ccc(Cc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)c2Cc2ccc(OC)cc2)cc1 ZINC000169350614 562862893 /nfs/dbraw/zinc/86/28/93/562862893.db2.gz PREJXESUAAUECY-UHFFFAOYSA-N 0 0 531.609 4.897 1 0 KJAFRN COc1ccc(Cc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000169350615 562862884 /nfs/dbraw/zinc/86/28/84/562862884.db2.gz PFRQONOHLYKGDV-UHFFFAOYSA-N 0 0 591.661 4.914 1 0 KJAFRN CS(=O)(=O)Cc1cccc(Nc2cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)cc(C(N)=O)n2)c1 ZINC000169350858 562862943 /nfs/dbraw/zinc/86/29/43/562862943.db2.gz GCQNVCGQLNSPFC-UHFFFAOYSA-N 0 0 635.649 4.897 1 0 KJAFRN COC(=O)N[C@H](C)C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](C)NC(=O)OC)n4)cc3)cc2)c[nH]1 ZINC000169351869 562862992 /nfs/dbraw/zinc/86/29/92/562862992.db2.gz QKVLNVCKLMSHBX-NCQDULDFSA-N 0 0 682.782 4.950 1 0 KJAFRN O=C(CCCC[C@@H]1OC[C@@H]2NC(=O)N[C@@H]21)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cc2)cc1 ZINC000169351872 562863005 /nfs/dbraw/zinc/86/30/05/562863005.db2.gz JVBCVQMJAREUKR-CHBYBOSYSA-N 0 0 732.882 4.968 1 0 KJAFRN Nc1ccc(-c2ccc(Nc3c4cccnc4n(O)c(=O)c3C(=O)NCc3ccc(F)cc3F)cc2)cc1 ZINC000169351999 562863042 /nfs/dbraw/zinc/86/30/42/562863042.db2.gz LEFMOCIIAUSTEG-UHFFFAOYSA-N 0 0 513.504 4.835 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)O[C@@H](Cn1ccnc1)c1ccc(F)cc1 ZINC000169352606 562863136 /nfs/dbraw/zinc/86/31/36/562863136.db2.gz NIBZKROZQXTODK-VWLOTQADSA-N 0 0 503.534 4.568 1 0 KJAFRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)O[C@H](Cn1ccnc1)c1ccc(F)cc1 ZINC000169352607 562863098 /nfs/dbraw/zinc/86/30/98/562863098.db2.gz NIBZKROZQXTODK-RUZDIDTESA-N 0 0 503.534 4.568 1 0 KJAFRN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000169352792 562863242 /nfs/dbraw/zinc/86/32/42/562863242.db2.gz MSQAXNKGYFPFRE-MHZLTWQESA-N 0 0 652.789 4.558 1 0 KJAFRN COc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(c7ncccn7)CC6)ccc5[nH]4)ccc3[nH]2)cc1OC ZINC000169352834 562863259 /nfs/dbraw/zinc/86/32/59/562863259.db2.gz KPFBXLSZRCTESJ-UHFFFAOYSA-N 0 0 532.608 4.907 1 0 KJAFRN CCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(CCNC(=O)C(F)(F)F)CC6)ccc5[nH]4)ccc3[nH]2)cc1 ZINC000169352844 562863283 /nfs/dbraw/zinc/86/32/83/562863283.db2.gz FKUBXBKMAQGRBJ-UHFFFAOYSA-N 0 0 577.611 4.972 1 0 KJAFRN CSCC[C@H](NC(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1-c1ccco1)C(=O)OC(C)C ZINC000169352965 562863299 /nfs/dbraw/zinc/86/32/99/562863299.db2.gz CLHZHSKDIGHFNZ-OFNKIYASSA-N 0 0 525.623 4.969 1 0 KJAFRN CSCC[C@H](NC(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1-c1ccco1)C(=O)OC(C)C ZINC000169352966 562863298 /nfs/dbraw/zinc/86/32/98/562863298.db2.gz CLHZHSKDIGHFNZ-REWPJTCUSA-N 0 0 525.623 4.969 1 0 KJAFRN CSCC[C@H](NC(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1-c1ccoc1)C(=O)OC(C)C ZINC000169352968 562863305 /nfs/dbraw/zinc/86/33/05/562863305.db2.gz RZLLROHFONMPOA-QPPBQGQZSA-N 0 0 525.623 4.969 1 0 KJAFRN CSCC[C@H](NC(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1-c1ccoc1)C(=O)OC(C)C ZINC000169352969 562863313 /nfs/dbraw/zinc/86/33/13/562863313.db2.gz RZLLROHFONMPOA-URXFXBBRSA-N 0 0 525.623 4.969 1 0 KJAFRN CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1cncc2ccccc21)C(=O)OC(C)C ZINC000169352971 562863300 /nfs/dbraw/zinc/86/33/00/562863300.db2.gz RQHCBJZKBHIVCH-VWLOTQADSA-N 0 0 577.732 4.925 1 0 KJAFRN Cc1cc(=O)oc2cc(OCCCC(=O)N3CCC(O)(c4ccc(Br)cc4)CC3)ccc12 ZINC000169353330 562863497 /nfs/dbraw/zinc/86/34/97/562863497.db2.gz CQSSKKKLMZMKIC-UHFFFAOYSA-N 0 0 500.389 4.533 1 0 KJAFRN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C(N)=O)CCCC5)c3n2)cc1 ZINC000169353443 562863534 /nfs/dbraw/zinc/86/35/34/562863534.db2.gz BQYFLIRAOASSCL-UHFFFAOYSA-N 0 0 515.517 4.715 1 0 KJAFRN COC(=O)C1=C(C(=O)OC)[C@H]2N(CC=C(C)C)c3ccccc3[C@@]23CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C3=N1 ZINC000169354578 562863670 /nfs/dbraw/zinc/86/36/70/562863670.db2.gz JDTXXUZVZBTISK-VIZCGCQYSA-N 0 0 581.591 4.933 1 0 KJAFRN COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@@H+]2CC2CCCCC2)cc1 ZINC000169355219 562863726 /nfs/dbraw/zinc/86/37/26/562863726.db2.gz JEOHSRSFZWJSOZ-HZFUHODCSA-N 0 0 504.631 4.573 1 0 KJAFRN COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@@H+]2CC2CCCCC2)cc1 ZINC000169355221 562863718 /nfs/dbraw/zinc/86/37/18/562863718.db2.gz JEOHSRSFZWJSOZ-KCHLEUMXSA-N 0 0 504.631 4.573 1 0 KJAFRN CCC/C=C\c1ccc(CN2[C@@H](C(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000169356165 562863813 /nfs/dbraw/zinc/86/38/13/562863813.db2.gz RRRPHCMRJVEZHE-JQCPRDPBSA-N 0 0 541.762 4.871 1 0 KJAFRN CC(=O)O[C@H](C)[C@]12COCC=C[C@@H]1[C@]1(C)CC[C@H]3[C@](C)([C@H](OC(C)=O)C=C(C)[C@]3(O)Cc3ccccc3)[C@@H]1[C@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169360058 562864096 /nfs/dbraw/zinc/86/40/96/562864096.db2.gz QCIQCMIFMQETJM-AQSDYHDUSA-N 0 0 666.808 4.908 1 0 KJAFRN CC(=O)O[C@H](C)[C@]12COCC=C[C@H]1[C@]1(C)CC[C@H]3[C@](C)([C@H](OC(C)=O)C=C(C)[C@]3(O)Cc3ccccc3)[C@@H]1[C@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169360060 562864125 /nfs/dbraw/zinc/86/41/25/562864125.db2.gz QCIQCMIFMQETJM-BAYBQMEVSA-N 0 0 666.808 4.908 1 0 KJAFRN CC(=O)O[C@H](C)[C@]12COCC=C[C@@H]1[C@]1(C)CC[C@H]3[C@](C)([C@H](OC(C)=O)C=C(C)[C@]3(O)c3ccccc3)[C@@H]1[C@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169360295 562864130 /nfs/dbraw/zinc/86/41/30/562864130.db2.gz QXXCYHRHLNMEQZ-QMHCAKOGSA-N 0 0 652.781 4.822 1 0 KJAFRN CC(=O)O[C@H](C)[C@]12COCC=C[C@H]1[C@]1(C)CC[C@H]3[C@](C)([C@H](OC(C)=O)C=C(C)[C@]3(O)c3ccccc3)[C@@H]1[C@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169360296 562864126 /nfs/dbraw/zinc/86/41/26/562864126.db2.gz QXXCYHRHLNMEQZ-HVLXTCOISA-N 0 0 652.781 4.822 1 0 KJAFRN COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000169362150 562864242 /nfs/dbraw/zinc/86/42/42/562864242.db2.gz DMNWZDIEDDQCFD-UNHDOIQYSA-N 0 0 623.728 4.525 1 0 KJAFRN O=C(OCC(F)(F)F)[C@@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@@H]1c1ccco1 ZINC000169366197 562864470 /nfs/dbraw/zinc/86/44/70/562864470.db2.gz JIANCEGGXLZMAU-ZSOKXDGFSA-N 0 0 574.596 4.963 1 0 KJAFRN CC(=O)O[C@H]1[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@@H]1OC(C)=O ZINC000169370380 562864747 /nfs/dbraw/zinc/86/47/47/562864747.db2.gz JUTSMXHGEKYOLZ-OKXWIIARSA-N 0 0 642.742 4.504 1 0 KJAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)[C@@H](c3ccccc3)C1)C(=O)C2 ZINC000169371100 562864778 /nfs/dbraw/zinc/86/47/78/562864778.db2.gz PYEUKTUKBXVHAV-DZRGJMJISA-N 0 0 521.605 4.689 1 0 KJAFRN C[C@@]12CO[C@@H](c3ccccc3)O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](O)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@@H]12 ZINC000169371808 562864805 /nfs/dbraw/zinc/86/48/05/562864805.db2.gz WPKHNTUUGUNOHR-HIJTULSGSA-N 0 0 545.632 4.804 1 0 KJAFRN C[C@@]12CO[C@@H](c3ccccc3)O[C@H]1CC[C@@]1(C)[C@@H]2C[C@H](O)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]12 ZINC000169371809 562864813 /nfs/dbraw/zinc/86/48/13/562864813.db2.gz WPKHNTUUGUNOHR-BACZTASJSA-N 0 0 545.632 4.804 1 0 KJAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000169684846 562865004 /nfs/dbraw/zinc/86/50/04/562865004.db2.gz XABOSVGDQFTNGO-UHFFFAOYSA-N 0 0 511.444 4.579 1 0 KJAFRN CCC[C@H](NC(=O)[C@@H]1CN(c2ccc(-c3ccccc3)cc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000169694125 562865234 /nfs/dbraw/zinc/86/52/34/562865234.db2.gz MUGMDPYSXARUCN-LHHUKBANSA-N 0 0 659.828 4.544 1 0 KJAFRN COC(=O)c1c(CNC(=O)c2ccc(-c3ncc[nH]3)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 ZINC000169694280 562865244 /nfs/dbraw/zinc/86/52/44/562865244.db2.gz CZJNZAYYPAISKI-UHFFFAOYSA-N 0 0 512.953 4.751 1 0 KJAFRN COC(=O)c1c(CNC(=O)c2ccc(-c3ncc[nH]3)cc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1 ZINC000169694282 562865239 /nfs/dbraw/zinc/86/52/39/562865239.db2.gz KPENTFRFCOOLBI-UHFFFAOYSA-N 0 0 547.493 4.511 1 0 KJAFRN COC(=O)c1c(CNC(=O)c2ccc(-c3cc[nH]n3)cc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1 ZINC000169694283 562865250 /nfs/dbraw/zinc/86/52/50/562865250.db2.gz ZGINXPRAHZKFBQ-UHFFFAOYSA-N 0 0 547.493 4.511 1 0 KJAFRN COC(=O)c1c(CNC(=O)c2ccc3cc[nH]c3c2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1 ZINC000169694284 562865272 /nfs/dbraw/zinc/86/52/72/562865272.db2.gz DEUQSZQPMPWKSE-UHFFFAOYSA-N 0 0 520.467 4.602 1 0 KJAFRN CCCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1 ZINC000169694637 562865458 /nfs/dbraw/zinc/86/54/58/562865458.db2.gz PGXGXIXGUIYWLH-HNNXBMFYSA-N 0 0 564.112 4.793 1 0 KJAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2)n1 ZINC000169694638 562865452 /nfs/dbraw/zinc/86/54/52/562865452.db2.gz MAMHCUGUNJMIFH-AWEZNQCLSA-N 0 0 562.096 4.545 1 0 KJAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(=O)(=O)C(C)C)c2)n1 ZINC000169694642 562865489 /nfs/dbraw/zinc/86/54/89/562865489.db2.gz DAANUDBROOGTIX-HNNXBMFYSA-N 0 0 564.112 4.791 1 0 KJAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2C)n1 ZINC000169694646 562865467 /nfs/dbraw/zinc/86/54/67/562865467.db2.gz XADYXVPCODESLX-AWEZNQCLSA-N 0 0 576.123 4.854 1 0 KJAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(NS(=O)(=O)C(C)C)cc(OC(F)F)c2)n1 ZINC000169694648 562865478 /nfs/dbraw/zinc/86/54/78/562865478.db2.gz DEOQVTWMGPOGMK-HNNXBMFYSA-N 0 0 595.673 4.739 1 0 KJAFRN CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694655 562865579 /nfs/dbraw/zinc/86/55/79/562865579.db2.gz IWPXOINNGKEFRV-ZDUSSCGKSA-N 0 0 566.059 4.512 1 0 KJAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)CC3CC3)c2F)n1 ZINC000169694661 562865539 /nfs/dbraw/zinc/86/55/39/562865539.db2.gz HBTNXSOJJINMPX-ZDUSSCGKSA-N 0 0 578.070 4.512 1 0 KJAFRN CCCS(=O)(=O)Nc1ccc(F)c(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl ZINC000169694664 562865531 /nfs/dbraw/zinc/86/55/31/562865531.db2.gz OXYPKVAZLSIWCF-ZDUSSCGKSA-N 0 0 566.059 4.512 1 0 KJAFRN CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl ZINC000169694666 562865515 /nfs/dbraw/zinc/86/55/15/562865515.db2.gz CLJCDHLKXNEKHU-AWEZNQCLSA-N 0 0 582.102 4.932 1 0 KJAFRN CCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694668 562865543 /nfs/dbraw/zinc/86/55/43/562865543.db2.gz JDPRCFICOAYFFG-ZDUSSCGKSA-N 0 0 568.075 4.542 1 0 KJAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(-c3ccc(F)cc3F)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694686 562865529 /nfs/dbraw/zinc/86/55/29/562865529.db2.gz GTKCEVAUHKGKKS-LBPRGKRZSA-N 0 0 610.018 4.799 1 0 KJAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cccc(NS(=O)(=O)CCC(F)(F)F)c2F)n1 ZINC000169694698 562865634 /nfs/dbraw/zinc/86/56/34/562865634.db2.gz CFFDFVPWHCZKAM-AWEZNQCLSA-N 0 0 601.627 4.821 1 0 KJAFRN CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694699 562865611 /nfs/dbraw/zinc/86/56/11/562865611.db2.gz AAJPLZPFHRBEMQ-AWEZNQCLSA-N 0 0 582.102 4.932 1 0 KJAFRN O=C1CN(c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169694794 562865632 /nfs/dbraw/zinc/86/56/32/562865632.db2.gz QVHIGCTZFISHPB-RZJQWKCISA-N 0 0 705.207 4.944 1 0 KJAFRN COC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695063 562865659 /nfs/dbraw/zinc/86/56/59/562865659.db2.gz ZFRZTMGSTVTHGF-DNQXCXABSA-N 0 0 505.592 4.855 1 0 KJAFRN COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695064 562865649 /nfs/dbraw/zinc/86/56/49/562865649.db2.gz ZFRZTMGSTVTHGF-RPWUZVMVSA-N 0 0 505.592 4.855 1 0 KJAFRN COC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695065 562865679 /nfs/dbraw/zinc/86/56/79/562865679.db2.gz ZFRZTMGSTVTHGF-BJKOFHAPSA-N 0 0 505.592 4.855 1 0 KJAFRN COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695066 562865681 /nfs/dbraw/zinc/86/56/81/562865681.db2.gz ZFRZTMGSTVTHGF-ZEQRLZLVSA-N 0 0 505.592 4.855 1 0 KJAFRN COC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695067 562865704 /nfs/dbraw/zinc/86/57/04/562865704.db2.gz JNOPUACFKNUWKK-DNQXCXABSA-N 0 0 505.592 4.855 1 0 KJAFRN COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695068 562865644 /nfs/dbraw/zinc/86/56/44/562865644.db2.gz JNOPUACFKNUWKK-RPWUZVMVSA-N 0 0 505.592 4.855 1 0 KJAFRN COC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695069 562865709 /nfs/dbraw/zinc/86/57/09/562865709.db2.gz JNOPUACFKNUWKK-BJKOFHAPSA-N 0 0 505.592 4.855 1 0 KJAFRN COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695070 562865651 /nfs/dbraw/zinc/86/56/51/562865651.db2.gz JNOPUACFKNUWKK-ZEQRLZLVSA-N 0 0 505.592 4.855 1 0 KJAFRN CN(C)C(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695198 562865734 /nfs/dbraw/zinc/86/57/34/562865734.db2.gz JIVITGOBGCDQLY-JWQCQUIFSA-N 0 0 518.635 4.771 1 0 KJAFRN CN(C)C(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695199 562865758 /nfs/dbraw/zinc/86/57/58/562865758.db2.gz JIVITGOBGCDQLY-RPBOFIJWSA-N 0 0 518.635 4.771 1 0 KJAFRN CN(C)C(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695200 562865754 /nfs/dbraw/zinc/86/57/54/562865754.db2.gz JIVITGOBGCDQLY-LOSJGSFVSA-N 0 0 518.635 4.771 1 0 KJAFRN CN(C)C(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695201 562865752 /nfs/dbraw/zinc/86/57/52/562865752.db2.gz JIVITGOBGCDQLY-DQEYMECFSA-N 0 0 518.635 4.771 1 0 KJAFRN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC[S@@](C)=O ZINC000169695267 562865764 /nfs/dbraw/zinc/86/57/64/562865764.db2.gz GCWKKMVVNFRHLI-QKUPIINXSA-N 0 0 509.649 4.671 1 0 KJAFRN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC[S@@](C)=O ZINC000169695269 562865778 /nfs/dbraw/zinc/86/57/78/562865778.db2.gz GCWKKMVVNFRHLI-SERWZODPSA-N 0 0 509.649 4.671 1 0 KJAFRN COCCOCc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695271 562865723 /nfs/dbraw/zinc/86/57/23/562865723.db2.gz QSRLPTVHMDFWQP-DNQXCXABSA-N 0 0 506.624 4.862 1 0 KJAFRN COCCOCc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695272 562865766 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SVFHEABKZHKNPV-PMACEKPBSA-N 0 0 682.420 4.824 1 0 KJAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3ccccc3Br)s2)s1)[C@H](O)c1ccccc1Br ZINC000169698155 562866979 /nfs/dbraw/zinc/86/69/79/562866979.db2.gz SVFHEABKZHKNPV-BGYRXZFFSA-N 0 0 682.420 4.824 1 0 KJAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)c3ccccc3Br)s2)s1)[C@H](O)c1ccccc1Br ZINC000169698156 562866952 /nfs/dbraw/zinc/86/69/52/562866952.db2.gz SVFHEABKZHKNPV-WOJBJXKFSA-N 0 0 682.420 4.824 1 0 KJAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Br)c3)s2)s1)[C@@H](O)c1cccc(Br)c1 ZINC000169698157 562866960 /nfs/dbraw/zinc/86/69/60/562866960.db2.gz GSIGFDHMTJMUJE-PMACEKPBSA-N 0 0 682.420 4.824 1 0 KJAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Br)c3)s2)s1)[C@H](O)c1cccc(Br)c1 ZINC000169698158 562866991 /nfs/dbraw/zinc/86/69/91/562866991.db2.gz GSIGFDHMTJMUJE-BGYRXZFFSA-N 0 0 682.420 4.824 1 0 KJAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Br)c3)s2)s1)[C@H](O)c1cccc(Br)c1 ZINC000169698159 562866965 /nfs/dbraw/zinc/86/69/65/562866965.db2.gz GSIGFDHMTJMUJE-WOJBJXKFSA-N 0 0 682.420 4.824 1 0 KJAFRN O=C(Cc1ccccc1F)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3F)s2)s1 ZINC000169698167 562866969 /nfs/dbraw/zinc/86/69/69/562866969.db2.gz CQYHPMYVWDQQRA-UHFFFAOYSA-N 0 0 528.610 4.596 1 0 KJAFRN O=C(Cc1c(F)cccc1F)Nc1nnc(CCCCc2nnc(NC(=O)Cc3c(F)cccc3F)s2)s1 ZINC000169698168 562866945 /nfs/dbraw/zinc/86/69/45/562866945.db2.gz ODADBDKZCTWYAL-UHFFFAOYSA-N 0 0 564.590 4.874 1 0 KJAFRN O=C(Cc1ccccc1F)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3F)s2)s1 ZINC000169698169 562866963 /nfs/dbraw/zinc/86/69/63/562866963.db2.gz AEIAPIWTIVEORT-UHFFFAOYSA-N 0 0 560.677 4.549 1 0 KJAFRN O=C(Cc1c(F)cccc1F)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3c(F)cccc3F)s2)s1 ZINC000169698173 562866989 /nfs/dbraw/zinc/86/69/89/562866989.db2.gz XBSJXKZKVVLUMG-UHFFFAOYSA-N 0 0 596.657 4.827 1 0 KJAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)s1)[C@@H](O)c1cccc(Cl)c1 ZINC000169698187 562867001 /nfs/dbraw/zinc/86/70/01/562867001.db2.gz VPCQNFDPOCMPNR-PMACEKPBSA-N 0 0 593.518 4.606 1 0 KJAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)s1)[C@H](O)c1cccc(Cl)c1 ZINC000169698188 562867013 /nfs/dbraw/zinc/86/70/13/562867013.db2.gz VPCQNFDPOCMPNR-BGYRXZFFSA-N 0 0 593.518 4.606 1 0 KJAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)s1)[C@H](O)c1cccc(Cl)c1 ZINC000169698189 562867012 /nfs/dbraw/zinc/86/70/12/562867012.db2.gz VPCQNFDPOCMPNR-WOJBJXKFSA-N 0 0 593.518 4.606 1 0 KJAFRN O=C(Cc1cccc(Cl)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698229 562867024 /nfs/dbraw/zinc/86/70/24/562867024.db2.gz SQSJQMRAWJCWAT-UHFFFAOYSA-N 0 0 521.046 4.909 1 0 KJAFRN O=C(Cc1ccc(O)c(Cl)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698230 562867061 /nfs/dbraw/zinc/86/70/61/562867061.db2.gz OLRKAUAWEWUQBE-UHFFFAOYSA-N 0 0 537.045 4.615 1 0 KJAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3c(Cl)ccc(O)c3F)s2)s1 ZINC000169698236 562867028 /nfs/dbraw/zinc/86/70/28/562867028.db2.gz UWEFUUCAUOYIIV-UHFFFAOYSA-N 0 0 561.064 4.816 1 0 KJAFRN O=C(CCN1CCOCC1)O[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)s1)c1cccc(Cl)c1 ZINC000169698248 562867063 /nfs/dbraw/zinc/86/70/63/562867063.db2.gz KDTMCLBUXKVMSC-RRPNLBNLSA-N 0 0 734.688 4.879 1 0 KJAFRN O=C(CCN1CCOCC1)O[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)s1)c1cccc(Cl)c1 ZINC000169698249 562867026 /nfs/dbraw/zinc/86/70/26/562867026.db2.gz KDTMCLBUXKVMSC-SVBPBHIXSA-N 0 0 734.688 4.879 1 0 KJAFRN O=C(CCN1CCOCC1)O[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)s1)c1cccc(Cl)c1 ZINC000169698250 562867041 /nfs/dbraw/zinc/86/70/41/562867041.db2.gz KDTMCLBUXKVMSC-KAYWLYCHSA-N 0 0 734.688 4.879 1 0 KJAFRN O=C(CCN1CCOCC1)O[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)s1)c1cccc(Cl)c1 ZINC000169698251 562867058 /nfs/dbraw/zinc/86/70/58/562867058.db2.gz KDTMCLBUXKVMSC-SXOMAYOGSA-N 0 0 734.688 4.879 1 0 KJAFRN O=C(Cc1cccc(Cn2cccn2)c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(Cn4cccn4)c3)s2)s1 ZINC000169698256 562867093 /nfs/dbraw/zinc/86/70/93/562867093.db2.gz IMMYWAQCTOGUPH-UHFFFAOYSA-N 0 0 652.810 4.807 1 0 KJAFRN O=C(Cc1cccc(-n2ccnc2)c1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(-n4ccnc4)c3)s2)s1 ZINC000169698257 562867080 /nfs/dbraw/zinc/86/70/80/562867080.db2.gz KIPNDNXSLPUEOJ-UHFFFAOYSA-N 0 0 624.756 4.689 1 0 KJAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3cccc(Cl)c3)s2)s1 ZINC000169698268 562867102 /nfs/dbraw/zinc/86/71/02/562867102.db2.gz JVOMMDVQABSJRR-UHFFFAOYSA-N 0 0 545.115 4.881 1 0 KJAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)OCc3ccccc3)s2)s1 ZINC000169698270 562867079 /nfs/dbraw/zinc/86/70/79/562867079.db2.gz GICJILDGXNCYCB-UHFFFAOYSA-N 0 0 508.629 4.885 1 0 KJAFRN Cc1nccn1Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698277 562867077 /nfs/dbraw/zinc/86/70/77/562867077.db2.gz FDCAXDCVYWFBND-UHFFFAOYSA-N 0 0 580.718 4.809 1 0 KJAFRN CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698279 562867100 /nfs/dbraw/zinc/86/71/00/562867100.db2.gz XJJHPWWXXUJROI-UHFFFAOYSA-N 0 0 587.706 4.502 1 0 KJAFRN CCOC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698281 562867074 /nfs/dbraw/zinc/86/70/74/562867074.db2.gz LMFZBCFZUPGXRB-UHFFFAOYSA-N 0 0 587.706 4.502 1 0 KJAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)OCc3ccccc3)s2)nn1 ZINC000169698283 562867070 /nfs/dbraw/zinc/86/70/70/562867070.db2.gz AQFZZHOXUPAXEI-UHFFFAOYSA-N 0 0 502.600 4.823 1 0 KJAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](OC(=O)CCN3CCOCC3)c3cccc(Cl)c3)s2)nn1 ZINC000169698286 562867084 /nfs/dbraw/zinc/86/70/84/562867084.db2.gz AIIZCODOYXZUAY-HKBQPEDESA-N 0 0 678.215 4.673 1 0 KJAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](OC(=O)CCN3CCOCC3)c3cccc(Cl)c3)s2)nn1 ZINC000169698287 562867097 /nfs/dbraw/zinc/86/70/97/562867097.db2.gz AIIZCODOYXZUAY-WJOKGBTCSA-N 0 0 678.215 4.673 1 0 KJAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(Cn4cccn4)c3)s2)s1 ZINC000169698289 562867088 /nfs/dbraw/zinc/86/70/88/562867088.db2.gz PGZACYCYXMWIMA-UHFFFAOYSA-N 0 0 572.720 4.562 1 0 KJAFRN O=C(Cc1cccc(Cn2cccn2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698292 562867108 /nfs/dbraw/zinc/86/71/08/562867108.db2.gz CODBEKBRCVGESO-UHFFFAOYSA-N 0 0 566.691 4.501 1 0 KJAFRN CCCC(=O)OCN(C(=O)Cc1ccccc1)c1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698299 562867109 /nfs/dbraw/zinc/86/71/09/562867109.db2.gz SXYGIOGVIVZUCG-UHFFFAOYSA-N 0 0 586.718 4.951 1 0 KJAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Br)c3)s2)nn1 ZINC000169698314 562867110 /nfs/dbraw/zinc/86/71/10/562867110.db2.gz GPLVPVRTHNCRAS-DEOSSOPVSA-N 0 0 581.496 4.509 1 0 KJAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Br)c3)s2)nn1 ZINC000169698315 562867136 /nfs/dbraw/zinc/86/71/36/562867136.db2.gz GPLVPVRTHNCRAS-XMMPIXPASA-N 0 0 581.496 4.509 1 0 KJAFRN Cc1cccc(CNC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1 ZINC000169698317 562867116 /nfs/dbraw/zinc/86/71/16/562867116.db2.gz OBDKGWNXOCKEJQ-UHFFFAOYSA-N 0 0 521.672 4.766 1 0 KJAFRN CC(C)CC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698335 562867139 /nfs/dbraw/zinc/86/71/39/562867139.db2.gz JGAXRLIWBBQTRY-UHFFFAOYSA-N 0 0 599.761 4.918 1 0 KJAFRN O=C(Cc1c(F)cccc1F)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698347 562867157 /nfs/dbraw/zinc/86/71/57/562867157.db2.gz DYBCEHGFDJLPPD-UHFFFAOYSA-N 0 0 522.581 4.534 1 0 KJAFRN O=C(Nc1nnc(CCCCc2ccc(NC(=O)[C@@H](O)c3cccc(Cl)c3)nn2)s1)[C@@H](O)c1cccc(Cl)c1 ZINC000169698350 562867151 /nfs/dbraw/zinc/86/71/51/562867151.db2.gz LRIJNNNGGKRIAX-GOTSBHOMSA-N 0 0 587.489 4.545 1 0 KJAFRN O=C(Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)nn1)[C@H](O)c1cccc(Cl)c1 ZINC000169698351 562867152 /nfs/dbraw/zinc/86/71/52/562867152.db2.gz LRIJNNNGGKRIAX-PKTZIBPZSA-N 0 0 587.489 4.545 1 0 KJAFRN O=C(Nc1nnc(CCCCc2ccc(NC(=O)[C@@H](O)c3cccc(Cl)c3)nn2)s1)[C@H](O)c1cccc(Cl)c1 ZINC000169698352 562867147 /nfs/dbraw/zinc/86/71/47/562867147.db2.gz LRIJNNNGGKRIAX-XZOQPEGZSA-N 0 0 587.489 4.545 1 0 KJAFRN O=C(Nc1nnc(CCCCc2ccc(NC(=O)[C@H](O)c3cccc(Cl)c3)nn2)s1)[C@H](O)c1cccc(Cl)c1 ZINC000169698353 562867144 /nfs/dbraw/zinc/86/71/44/562867144.db2.gz LRIJNNNGGKRIAX-DHIUTWEWSA-N 0 0 587.489 4.545 1 0 KJAFRN C[C@@H](C(=O)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)nn1)c1ccccc1 ZINC000169698379 562867181 /nfs/dbraw/zinc/86/71/81/562867181.db2.gz XPVQCWSDCWUYFE-OSPHWJPCSA-N 0 0 551.072 4.961 1 0 KJAFRN C[C@H](C(=O)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)nn1)c1ccccc1 ZINC000169698380 562867193 /nfs/dbraw/zinc/86/71/93/562867193.db2.gz XPVQCWSDCWUYFE-XDHUDOTRSA-N 0 0 551.072 4.961 1 0 KJAFRN C[C@@H](C(=O)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)nn1)c1ccccc1 ZINC000169698381 562867201 /nfs/dbraw/zinc/86/72/01/562867201.db2.gz XPVQCWSDCWUYFE-MZNJEOGPSA-N 0 0 551.072 4.961 1 0 KJAFRN C[C@H](C(=O)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)nn1)c1ccccc1 ZINC000169698382 562867188 /nfs/dbraw/zinc/86/71/88/562867188.db2.gz XPVQCWSDCWUYFE-BXKMTCNYSA-N 0 0 551.072 4.961 1 0 KJAFRN CC(C)CNC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698384 562867202 /nfs/dbraw/zinc/86/72/02/562867202.db2.gz SVRKKELQQYEIDQ-UHFFFAOYSA-N 0 0 599.761 4.571 1 0 KJAFRN CC(C)(C)CNC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698385 562867196 /nfs/dbraw/zinc/86/71/96/562867196.db2.gz OLXXQTIARLOHGR-UHFFFAOYSA-N 0 0 613.788 4.961 1 0 KJAFRN O=C(Cc1cccc(CNC(=O)c2ccc(Br)nn2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698389 562867172 /nfs/dbraw/zinc/86/71/72/562867172.db2.gz RIDHNGWFXZVTFG-UHFFFAOYSA-N 0 0 700.623 4.738 1 0 KJAFRN O=C(Cc1cccc(CN2CCCCC2=O)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698390 562867178 /nfs/dbraw/zinc/86/71/78/562867178.db2.gz ZNISZWYGODMAFN-UHFFFAOYSA-N 0 0 597.745 4.768 1 0 KJAFRN CCCN(C)C(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698397 562867207 /nfs/dbraw/zinc/86/72/07/562867207.db2.gz FZISIHOFBCWMHR-UHFFFAOYSA-N 0 0 599.761 4.667 1 0 KJAFRN CC(C)CN(C)C(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698398 562867226 /nfs/dbraw/zinc/86/72/26/562867226.db2.gz ZKOHJLZWVADCIT-UHFFFAOYSA-N 0 0 613.788 4.913 1 0 KJAFRN CCOc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698401 562867218 /nfs/dbraw/zinc/86/72/18/562867218.db2.gz MDYOLSKIUSJCBW-UHFFFAOYSA-N 0 0 530.654 4.655 1 0 KJAFRN CC(C)(C)NC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698409 562867227 /nfs/dbraw/zinc/86/72/27/562867227.db2.gz OADBYMJHPYVBCU-UHFFFAOYSA-N 0 0 599.761 4.713 1 0 KJAFRN CCCCNC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698410 562867212 /nfs/dbraw/zinc/86/72/12/562867212.db2.gz BBEQCWUMTXOSEY-UHFFFAOYSA-N 0 0 599.761 4.715 1 0 KJAFRN CC(C)N(C)C(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698412 562867235 /nfs/dbraw/zinc/86/72/35/562867235.db2.gz MJSPVMCNSRGRSY-UHFFFAOYSA-N 0 0 599.761 4.665 1 0 KJAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(Cn4cccn4)c3)nn2)s1 ZINC000169698414 562867214 /nfs/dbraw/zinc/86/72/14/562867214.db2.gz RPJKATABQDERIL-UHFFFAOYSA-N 0 0 566.691 4.501 1 0 KJAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3ccc(-c4ccccc4)cc3OCCO)s2)nn1 ZINC000169698418 562867211 /nfs/dbraw/zinc/86/72/11/562867211.db2.gz AHTYKLJFRYRPTD-YTTGMZPUSA-N 0 0 638.750 4.785 1 0 KJAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3ccc(-c4ccccc4)cc3OCCO)s2)nn1 ZINC000169698419 562867209 /nfs/dbraw/zinc/86/72/09/562867209.db2.gz AHTYKLJFRYRPTD-JGCGQSQUSA-N 0 0 638.750 4.785 1 0 KJAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3Cl)nn2)s1 ZINC000169698439 562867269 /nfs/dbraw/zinc/86/72/69/562867269.db2.gz RANFPNIEBQKURV-UHFFFAOYSA-N 0 0 521.046 4.909 1 0 KJAFRN O=C(Cc1ccccc1Cl)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698440 562867264 /nfs/dbraw/zinc/86/72/64/562867264.db2.gz VYGPPBJCVDBWJK-UHFFFAOYSA-N 0 0 521.046 4.909 1 0 KJAFRN Cc1ccccc1CC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698441 562867250 /nfs/dbraw/zinc/86/72/50/562867250.db2.gz CFNDFBBQQBLKHA-UHFFFAOYSA-N 0 0 500.628 4.564 1 0 KJAFRN CC(C)(C)OC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)C4(C)COC(C)(C)OC4)nn3)s2)c1 ZINC000169698443 562867242 /nfs/dbraw/zinc/86/72/42/562867242.db2.gz JXKRQYGZHUJOEK-UHFFFAOYSA-N 0 0 653.806 4.827 1 0 KJAFRN COc1ccccc1CC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3Cl)nn2)s1 ZINC000169698445 562867272 /nfs/dbraw/zinc/86/72/72/562867272.db2.gz GSSNLZJGCSBVJW-UHFFFAOYSA-N 0 0 551.072 4.918 1 0 KJAFRN O=C(Cc1ccccc1F)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3F)nn2)s1 ZINC000169698448 562867240 /nfs/dbraw/zinc/86/72/40/562867240.db2.gz DMDPILWKZVAFIM-UHFFFAOYSA-N 0 0 522.581 4.534 1 0 KJAFRN Cc1ccccc1CC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3F)nn2)s1 ZINC000169698450 562867270 /nfs/dbraw/zinc/86/72/70/562867270.db2.gz JKKSTPDUDJRLNO-UHFFFAOYSA-N 0 0 518.618 4.703 1 0 KJAFRN CC(C)(C)NC(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698457 562867292 /nfs/dbraw/zinc/86/72/92/562867292.db2.gz ZTEPQVZVYWUHRZ-UHFFFAOYSA-N 0 0 599.761 4.713 1 0 KJAFRN CCOc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1OC ZINC000169698463 562867295 /nfs/dbraw/zinc/86/72/95/562867295.db2.gz SPGJLAMAZRIPHT-UHFFFAOYSA-N 0 0 560.680 4.663 1 0 KJAFRN COc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1C ZINC000169698466 562867304 /nfs/dbraw/zinc/86/73/04/562867304.db2.gz CMEQOJKRYFNOES-UHFFFAOYSA-N 0 0 530.654 4.573 1 0 KJAFRN COC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)[C@@H](C)c4ccccc4)s3)nn2)c1 ZINC000169698469 562867280 /nfs/dbraw/zinc/86/72/80/562867280.db2.gz SJLMUWQYOJJPMD-FQEVSTJZSA-N 0 0 587.706 4.673 1 0 KJAFRN COC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)[C@H](C)c4ccccc4)s3)nn2)c1 ZINC000169698470 562867286 /nfs/dbraw/zinc/86/72/86/562867286.db2.gz SJLMUWQYOJJPMD-HXUWFJFHSA-N 0 0 587.706 4.673 1 0 KJAFRN CCCOc1ccc([C@@H](O)C(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1 ZINC000169698479 562867303 /nfs/dbraw/zinc/86/73/03/562867303.db2.gz AVVZTMQKPGFCND-HHHXNRCGSA-N 0 0 560.680 4.536 1 0 KJAFRN CCCOc1ccc([C@H](O)C(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1 ZINC000169698480 562867290 /nfs/dbraw/zinc/86/72/90/562867290.db2.gz AVVZTMQKPGFCND-MHZLTWQESA-N 0 0 560.680 4.536 1 0 KJAFRN CC(C)(C)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698492 562867329 /nfs/dbraw/zinc/86/73/29/562867329.db2.gz AFUZFBOQNBLBBZ-UHFFFAOYSA-N 0 0 599.761 4.918 1 0 KJAFRN CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(CNC(=O)OCC)c4)nn3)s2)c1 ZINC000169698502 562867324 /nfs/dbraw/zinc/86/73/24/562867324.db2.gz HBCZFWFTKGWZJO-UHFFFAOYSA-N 0 0 688.811 4.748 1 0 KJAFRN C[C@@](O)(CC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1)C(F)(F)F ZINC000169698514 562867306 /nfs/dbraw/zinc/86/73/06/562867306.db2.gz XRBUFFQGFMKGFP-WJOKGBTCSA-N 0 0 669.730 4.576 1 0 KJAFRN C[C@](O)(CC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1)C(F)(F)F ZINC000169698515 562867326 /nfs/dbraw/zinc/86/73/26/562867326.db2.gz XRBUFFQGFMKGFP-HKBQPEDESA-N 0 0 669.730 4.576 1 0 KJAFRN CC1(C)OCC(C)(C(=O)NCc2cccc(CC(=O)Nc3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2)CO1 ZINC000169698516 562867325 /nfs/dbraw/zinc/86/73/25/562867325.db2.gz IHDJJNPHTZOXHK-UHFFFAOYSA-N 0 0 671.824 4.661 1 0 KJAFRN CCOC(=O)c1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1OCC ZINC000169698525 562867341 /nfs/dbraw/zinc/86/73/41/562867341.db2.gz LAIYTTSRMMPUGE-UHFFFAOYSA-N 0 0 602.717 4.831 1 0 KJAFRN COC(=O)N[C@@H](C)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698526 562867338 /nfs/dbraw/zinc/86/73/38/562867338.db2.gz LYLIYHIHZRNRGI-FQEVSTJZSA-N 0 0 587.706 4.673 1 0 KJAFRN COC(=O)N[C@H](C)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698527 562867358 /nfs/dbraw/zinc/86/73/58/562867358.db2.gz LYLIYHIHZRNRGI-HXUWFJFHSA-N 0 0 587.706 4.673 1 0 KJAFRN C[C@@H](O)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)[C@@H](C)c4ccccc4)s3)nn2)c1 ZINC000169698540 562867342 /nfs/dbraw/zinc/86/73/42/562867342.db2.gz SDEXGMXHVOJQCM-VQTJNVASSA-N 0 0 544.681 4.870 1 0 KJAFRN C[C@H](O)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)[C@@H](C)c4ccccc4)s3)nn2)c1 ZINC000169698541 562867359 /nfs/dbraw/zinc/86/73/59/562867359.db2.gz SDEXGMXHVOJQCM-PMACEKPBSA-N 0 0 544.681 4.870 1 0 KJAFRN C[C@@H](O)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)[C@H](C)c4ccccc4)s3)nn2)c1 ZINC000169698542 562867364 /nfs/dbraw/zinc/86/73/64/562867364.db2.gz SDEXGMXHVOJQCM-WOJBJXKFSA-N 0 0 544.681 4.870 1 0 KJAFRN C[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc([C@H](C)O)c3)nn2)s1)c1ccccc1 ZINC000169698543 562867347 /nfs/dbraw/zinc/86/73/47/562867347.db2.gz SDEXGMXHVOJQCM-UXHICEINSA-N 0 0 544.681 4.870 1 0 KJAFRN CO[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@@](C)(O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698578 562867375 /nfs/dbraw/zinc/86/73/75/562867375.db2.gz BYUSPHBMHYONGU-QLWXXVCSSA-N 0 0 699.756 4.721 1 0 KJAFRN CO[C@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@@](C)(O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698579 562867392 /nfs/dbraw/zinc/86/73/92/562867392.db2.gz BYUSPHBMHYONGU-BHDXBOSCSA-N 0 0 699.756 4.721 1 0 KJAFRN CO[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@](C)(O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698581 562867385 /nfs/dbraw/zinc/86/73/85/562867385.db2.gz BYUSPHBMHYONGU-PPTMTGTBSA-N 0 0 699.756 4.721 1 0 KJAFRN CO[C@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@](C)(O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698583 562867368 /nfs/dbraw/zinc/86/73/68/562867368.db2.gz BYUSPHBMHYONGU-NYDCQLBNSA-N 0 0 699.756 4.721 1 0 KJAFRN C[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@@H](O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698585 562867377 /nfs/dbraw/zinc/86/73/77/562867377.db2.gz PMHKTMSXNYHGHU-CJFMBICVSA-N 0 0 669.730 4.746 1 0 KJAFRN C[C@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@@H](O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698586 562867382 /nfs/dbraw/zinc/86/73/82/562867382.db2.gz PMHKTMSXNYHGHU-NBGIEHNGSA-N 0 0 669.730 4.746 1 0 KJAFRN C[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@H](O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698587 562867389 /nfs/dbraw/zinc/86/73/89/562867389.db2.gz PMHKTMSXNYHGHU-NLFFAJNJSA-N 0 0 669.730 4.746 1 0 KJAFRN C[C@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@H](O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698588 562867372 /nfs/dbraw/zinc/86/73/72/562867372.db2.gz PMHKTMSXNYHGHU-CPJSRVTESA-N 0 0 669.730 4.746 1 0 KJAFRN CCOC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)[C@@H](OC)c4ccccc4)s3)nn2)c1 ZINC000169698599 562867415 /nfs/dbraw/zinc/86/74/15/562867415.db2.gz PDWHTNXSABGFKS-NDEPHWFRSA-N 0 0 617.732 4.647 1 0 KJAFRN CCOC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)[C@H](OC)c4ccccc4)s3)nn2)c1 ZINC000169698601 562867424 /nfs/dbraw/zinc/86/74/24/562867424.db2.gz PDWHTNXSABGFKS-MUUNZHRXSA-N 0 0 617.732 4.647 1 0 KJAFRN C[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1ccccc1 ZINC000169698623 562867404 /nfs/dbraw/zinc/86/74/04/562867404.db2.gz CNASVEIJSMEVSH-LJQANCHMSA-N 0 0 500.628 4.817 1 0 KJAFRN C[C@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1ccccc1 ZINC000169698625 562867425 /nfs/dbraw/zinc/86/74/25/562867425.db2.gz CNASVEIJSMEVSH-IBGZPJMESA-N 0 0 500.628 4.817 1 0 KJAFRN CCN(CC)C(=O)COc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698670 562867456 /nfs/dbraw/zinc/86/74/56/562867456.db2.gz NYFJRFLWXQURHK-UHFFFAOYSA-N 0 0 615.760 4.503 1 0 KJAFRN O=C(Cc1cccc(OC(F)F)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698690 562867455 /nfs/dbraw/zinc/86/74/55/562867455.db2.gz BAGOJANZLGJDHR-UHFFFAOYSA-N 0 0 552.607 4.857 1 0 KJAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)F)c3)nn2)s1 ZINC000169698693 562867473 /nfs/dbraw/zinc/86/74/73/562867473.db2.gz KRTRGYMEOYWRKI-UHFFFAOYSA-N 0 0 552.607 4.857 1 0 KJAFRN O=C(Cc1cccnc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1 ZINC000169698698 562867471 /nfs/dbraw/zinc/86/74/71/562867471.db2.gz HXVUCOSFCZYVMC-UHFFFAOYSA-N 0 0 571.585 4.550 1 0 KJAFRN O=C(Cc1ccncc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1 ZINC000169698699 562867498 /nfs/dbraw/zinc/86/74/98/562867498.db2.gz DVADEAFUNXLALS-UHFFFAOYSA-N 0 0 571.585 4.550 1 0 KJAFRN CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 ZINC000169698921 562867493 /nfs/dbraw/zinc/86/74/93/562867493.db2.gz FGOAMURUAOQYRB-SQHAQQRYSA-N 0 0 516.013 4.553 1 0 KJAFRN CC(C)C(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC000169698941 562867474 /nfs/dbraw/zinc/86/74/74/562867474.db2.gz ZRSNRYLAEPHDCH-IRPSRAIASA-N 0 0 544.067 4.973 1 0 KJAFRN COc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nn1 ZINC000169698951 562867509 /nfs/dbraw/zinc/86/75/09/562867509.db2.gz JBCWEHUMLZIPID-RNAHPLFWSA-N 0 0 582.076 4.794 1 0 KJAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCOCCOCCOCCO)c[nH]4)c3)cc2)c1 ZINC000169699249 562867546 /nfs/dbraw/zinc/86/75/46/562867546.db2.gz RNMRATSEDNFEIV-UHFFFAOYSA-N 0 0 621.666 4.732 1 0 KJAFRN C=S(C)(=O)NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3)ccn2)c1 ZINC000169699254 562867547 /nfs/dbraw/zinc/86/75/47/562867547.db2.gz QVCAUKSQMIVCMT-BHVANESWSA-N 0 0 503.584 4.812 1 0 KJAFRN C=S(C)(=O)NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3)ccn2)c1 ZINC000169699255 562867541 /nfs/dbraw/zinc/86/75/41/562867541.db2.gz QVCAUKSQMIVCMT-PSXMRANNSA-N 0 0 503.584 4.812 1 0 KJAFRN C=S(C)(=O)NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000169699260 562867568 /nfs/dbraw/zinc/86/75/68/562867568.db2.gz JIPBMIOEUBRNDB-QNGWXLTQSA-N 0 0 521.574 4.952 1 0 KJAFRN C=S(C)(=O)NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000169699261 562867564 /nfs/dbraw/zinc/86/75/64/562867564.db2.gz JIPBMIOEUBRNDB-DIPNUNPCSA-N 0 0 521.574 4.952 1 0 KJAFRN C=S(C)(=O)NC(=O)c1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c[nH]1 ZINC000169699263 562867556 /nfs/dbraw/zinc/86/75/56/562867556.db2.gz RPRHXISAUTWXOJ-QNGWXLTQSA-N 0 0 521.574 4.952 1 0 KJAFRN C=S(C)(=O)NC(=O)c1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c[nH]1 ZINC000169699264 562867577 /nfs/dbraw/zinc/86/75/77/562867577.db2.gz RPRHXISAUTWXOJ-DIPNUNPCSA-N 0 0 521.574 4.952 1 0 KJAFRN O=C([O-])C1(C[NH2+][C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CCC1 ZINC000169700226 562867646 /nfs/dbraw/zinc/86/76/46/562867646.db2.gz GCPODNLBNUDMCM-UTKZUKDTSA-N 0 0 556.497 4.716 1 0 KJAFRN O=C([O-])[C@@H]1CCC[N@@H+]([C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700227 562867632 /nfs/dbraw/zinc/86/76/32/562867632.db2.gz HKMGIGALVDWQLN-CDMIOBSGSA-N 0 0 556.497 4.668 1 0 KJAFRN O=C([O-])[C@H]1CCC[N@@H+]([C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700228 562867661 /nfs/dbraw/zinc/86/76/61/562867661.db2.gz HKMGIGALVDWQLN-CECAUBDESA-N 0 0 556.497 4.668 1 0 KJAFRN O=C([O-])CCCNC(=O)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700255 562867618 /nfs/dbraw/zinc/86/76/18/562867618.db2.gz FYGISHSSTLYWEA-VBANMALSSA-N 0 0 548.442 4.762 1 0 KJAFRN CNC(=O)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cc(Cl)ccc1OC(C)(C)C(=O)[O-] ZINC000169700262 562867637 /nfs/dbraw/zinc/86/76/37/562867637.db2.gz VKRAWLZAPQTXKW-PFPZSTESSA-N 0 0 560.478 4.630 1 0 KJAFRN Cn1cc([C@@H](c2ccc(Cl)c(Cl)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1 ZINC000169701525 562868071 /nfs/dbraw/zinc/86/80/71/562868071.db2.gz WNSZNZHXHINIDO-XMMPIXPASA-N 0 0 529.403 4.713 1 0 KJAFRN Cn1cc([C@H](c2ccc(Cl)c(Cl)c2)n2ccc(-c3nc(NC4CCOCC4)ncc3F)cc2=O)cn1 ZINC000169701526 562868029 /nfs/dbraw/zinc/86/80/29/562868029.db2.gz WNSZNZHXHINIDO-DEOSSOPVSA-N 0 0 529.403 4.713 1 0 KJAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(OCC(F)(F)F)cc2C(F)(F)F)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702093 562868138 /nfs/dbraw/zinc/86/81/38/562868138.db2.gz QWIWJVVGLAKWBG-NHTMILBNSA-N 0 0 752.130 4.517 1 0 KJAFRN O=C(NC1CC1)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000169702110 562868195 /nfs/dbraw/zinc/86/81/95/562868195.db2.gz HCLPDRDQDGUFSD-PKXQUSJVSA-N 0 0 688.674 4.771 1 0 KJAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NCc1ccccc1 ZINC000169702114 562868181 /nfs/dbraw/zinc/86/81/81/562868181.db2.gz OFNOZMJQFVWTHP-PKXQUSJVSA-N 0 0 684.642 4.639 1 0 KJAFRN CCC[C@@H](C)NC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000169702117 562868180 /nfs/dbraw/zinc/86/81/80/562868180.db2.gz USPHVRZFPMWSPR-HDDJIDQQSA-N 0 0 664.652 4.627 1 0 KJAFRN CCC[C@H](C)NC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000169702118 562868174 /nfs/dbraw/zinc/86/81/74/562868174.db2.gz USPHVRZFPMWSPR-KIKDMBQDSA-N 0 0 664.652 4.627 1 0 KJAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(O[C@@H](C)C(F)(F)F)cc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702124 562868169 /nfs/dbraw/zinc/86/81/69/562868169.db2.gz CJFRYKIQLJALCT-IJELEPPBSA-N 0 0 732.605 4.541 1 0 KJAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(O[C@@H](C)C(F)(F)F)cc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702125 562868171 /nfs/dbraw/zinc/86/81/71/562868171.db2.gz GUBCDSPWYILVJH-JYCYPEEHSA-N 0 0 746.632 4.931 1 0 KJAFRN COc1cc(C(=O)NC2CC(N3CCN(CCF)CC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702394 562868310 /nfs/dbraw/zinc/86/83/10/562868310.db2.gz KHCVTGMXVRYETL-UHFFFAOYSA-N 0 0 645.183 4.896 1 0 KJAFRN COc1cc(C(=O)NC2CC(N3CCOCC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702404 562868352 /nfs/dbraw/zinc/86/83/52/562868352.db2.gz RCQYCEBXDWLITH-UHFFFAOYSA-N 0 0 600.123 4.641 1 0 KJAFRN COc1cc(C(=O)NC2CN(C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@@H]2C ZINC000169702422 562868355 /nfs/dbraw/zinc/86/83/55/562868355.db2.gz XNCWIUVJBXOTBN-INIZCTEOSA-N 0 0 544.059 4.653 1 0 KJAFRN COc1cc(C(=O)NC2CN(C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702423 562868372 /nfs/dbraw/zinc/86/83/72/562868372.db2.gz XNCWIUVJBXOTBN-MRXNPFEDSA-N 0 0 544.059 4.653 1 0 KJAFRN COCCNC(=O)c1cc2cccc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3ccccc3)CC4)c2s1 ZINC000169702431 562868366 /nfs/dbraw/zinc/86/83/66/562868366.db2.gz JPHUINHJWGRHIC-UHFFFAOYSA-N 0 0 524.650 4.901 1 0 KJAFRN CCOc1cc(N2CCN(C(=O)N(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000169702501 562868426 /nfs/dbraw/zinc/86/84/26/562868426.db2.gz CYCHDIHEXRZQMY-UHFFFAOYSA-N 0 0 566.710 4.512 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NS(=O)(=O)c1cccs1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000169702513 562868414 /nfs/dbraw/zinc/86/84/14/562868414.db2.gz QVHFRBKUYIIOEZ-NHZFLZHXSA-N 0 0 712.960 4.804 1 0 KJAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)NCc1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000169702517 562868422 /nfs/dbraw/zinc/86/84/22/562868422.db2.gz KZSJFXFIAICJBV-JUKUECOXSA-N 0 0 700.906 4.658 1 0 KJAFRN CC(C)CN(Sc1ccc2c(c1)OCCO2)[C@H](CO)CCCCNC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)N1CCOCC1 ZINC000169702537 562868478 /nfs/dbraw/zinc/86/84/78/562868478.db2.gz LRLCMJNSYGOBJY-BHDXBOSCSA-N 0 0 664.869 4.877 1 0 KJAFRN COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2c(c1)CCO2)[C@@H](c1ccccc1)C1=CC=CCC1 ZINC000169702540 562868473 /nfs/dbraw/zinc/86/84/73/562868473.db2.gz GEBWRQWFWSRZAR-LENAEUCASA-N 0 0 653.842 4.700 1 0 KJAFRN COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2c(c1)CCO2)[C@H](c1ccccc1)C1=CC=CCC1 ZINC000169702541 562868489 /nfs/dbraw/zinc/86/84/89/562868489.db2.gz GEBWRQWFWSRZAR-AOTRTPDYSA-N 0 0 653.842 4.700 1 0 KJAFRN COc1ccc(-c2nn(C3CC3)cc2C[NH+]2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000169702621 562868481 /nfs/dbraw/zinc/86/84/81/562868481.db2.gz YDDVDWPPAOBSCB-UHFFFAOYSA-N 0 0 502.571 4.583 1 0 KJAFRN Cc1nnc([C@@]2([C@@H]3CCCCO3)N[C@@H](c3nc(-c4ccc(F)c(C)n4)c[nH]3)Cc3c4ccccc4[nH]c32)o1 ZINC000169702931 562868546 /nfs/dbraw/zinc/86/85/46/562868546.db2.gz JHBLCTYNEYZOPF-FUCNBRFFSA-N 0 0 513.577 4.792 1 0 KJAFRN Cc1nnc([C@]2([C@@H]3CCCCO3)N[C@@H](c3nc(-c4ccc(F)c(C)n4)c[nH]3)Cc3c4ccccc4[nH]c32)o1 ZINC000169702932 562868568 /nfs/dbraw/zinc/86/85/68/562868568.db2.gz JHBLCTYNEYZOPF-ZXDNMGRFSA-N 0 0 513.577 4.792 1 0 KJAFRN Cc1nnc([C@@]2([C@H]3CCCCO3)N[C@@H](c3nc(-c4ccc(F)c(C)n4)c[nH]3)Cc3c4ccccc4[nH]c32)o1 ZINC000169702933 562868549 /nfs/dbraw/zinc/86/85/49/562868549.db2.gz JHBLCTYNEYZOPF-FAHANXHHSA-N 0 0 513.577 4.792 1 0 KJAFRN Cc1nnc([C@]2([C@H]3CCCCO3)N[C@@H](c3nc(-c4ccc(F)c(C)n4)c[nH]3)Cc3c4ccccc4[nH]c32)o1 ZINC000169702934 562868573 /nfs/dbraw/zinc/86/85/73/562868573.db2.gz JHBLCTYNEYZOPF-MBEZDYHHSA-N 0 0 513.577 4.792 1 0 KJAFRN CC1(C)Oc2c(cc(Nc3nccc(C(F)(F)F)n3)cc2-c2cnc([C@@H](O)C(F)F)s2)NC1=O ZINC000169703164 562868666 /nfs/dbraw/zinc/86/86/66/562868666.db2.gz PLCKQBLDYMXNRI-ZDUSSCGKSA-N 0 0 501.437 4.771 1 0 KJAFRN CC1(C)Oc2c(cc(Nc3nccc(C(F)(F)F)n3)cc2-c2cnc([C@H](O)C(F)F)s2)NC1=O ZINC000169703166 562868688 /nfs/dbraw/zinc/86/86/88/562868688.db2.gz PLCKQBLDYMXNRI-CYBMUJFWSA-N 0 0 501.437 4.771 1 0 KJAFRN CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000169703428 562868779 /nfs/dbraw/zinc/86/87/79/562868779.db2.gz JKSFRPPYFJWPAZ-UHFFFAOYSA-N 0 0 565.758 4.710 1 0 KJAFRN CN(C)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1-c1ccco1 ZINC000169703437 562868789 /nfs/dbraw/zinc/86/87/89/562868789.db2.gz OSYXBVITALOGHM-UHFFFAOYSA-N 0 0 618.778 4.739 1 0 KJAFRN CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)Nc3cccc(-c4ccco4)c3)c2)CC1 ZINC000169703439 562868746 /nfs/dbraw/zinc/86/87/46/562868746.db2.gz RWRFZPLMFBWWHN-UHFFFAOYSA-N 0 0 575.709 4.673 1 0 KJAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(NCCN3CCOCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703467 562868761 /nfs/dbraw/zinc/86/87/61/562868761.db2.gz OYMGXAUEYCNJRD-UHFFFAOYSA-N 0 0 535.652 4.602 1 0 KJAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(N(O)C3CCCCC3)c2)c2nccc(-n3cnc(-c4cncnc4)c3)c12 ZINC000169703500 562868804 /nfs/dbraw/zinc/86/88/04/562868804.db2.gz DDZLJFZNGYURDS-UHFFFAOYSA-N 0 0 537.628 4.814 1 0 KJAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(-c4ccco4)c3)c12 ZINC000169703502 562868822 /nfs/dbraw/zinc/86/88/22/562868822.db2.gz GUXUQHDDDPRSSJ-UHFFFAOYSA-N 0 0 525.613 4.804 1 0 KJAFRN CC(C)c1nn(-c2ccc(C(N)=O)cc2Cl)c2nccc(-n3cnc(-c4ccc(C(=O)N(C)C)cc4)c3)c12 ZINC000169703556 562868821 /nfs/dbraw/zinc/86/88/21/562868821.db2.gz ZXEZFDAVQORVNO-UHFFFAOYSA-N 0 0 528.016 4.851 1 0 KJAFRN Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3-c3ccccc3)cn2)cn1 ZINC000169703575 562868848 /nfs/dbraw/zinc/86/88/48/562868848.db2.gz YLEGNJRKKIHAGZ-UHFFFAOYSA-N 0 0 528.498 4.791 1 0 KJAFRN CC(C)Nc1cc(-n2nc(C(F)(F)F)c3c2nccc3-n2cnc(-c3cccnc3)c2)ccc1C(N)=O ZINC000169703582 562868831 /nfs/dbraw/zinc/86/88/31/562868831.db2.gz ZFHZQFHDTLOUAG-UHFFFAOYSA-N 0 0 506.492 4.606 1 0 KJAFRN NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2nccc3-n2cnc(-c3cccnc3)c2)c(NC2CCC2)c1 ZINC000169703584 562868864 /nfs/dbraw/zinc/86/88/64/562868864.db2.gz HGRPEYYXNZTRSE-UHFFFAOYSA-N 0 0 518.503 4.750 1 0 KJAFRN CCNc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c1nccc2-n1cnc(-c2cnn(C(C)C)c2)c1 ZINC000169703589 562868849 /nfs/dbraw/zinc/86/88/49/562868849.db2.gz JYWDMFZBERNOLV-UHFFFAOYSA-N 0 0 523.523 4.600 1 0 KJAFRN O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4C[C@@H](Cc5ccccc5)NC(=O)[C@@H]4c4ccccc4)nc3cc1C2 ZINC000169703601 562868841 /nfs/dbraw/zinc/86/88/41/562868841.db2.gz VVPHOGJFQIHFKB-NHJGKXACSA-N 0 0 565.677 4.903 1 0 KJAFRN O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4C[C@@H](Cc5ccccc5)NC(=O)[C@H]4c4ccccc4)nc3cc1C2 ZINC000169703602 562868876 /nfs/dbraw/zinc/86/88/76/562868876.db2.gz VVPHOGJFQIHFKB-LBBANUMYSA-N 0 0 565.677 4.903 1 0 KJAFRN O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4CC5(CCCC5)NC(=O)[C@@H]4c4ccccc4)nc3cc1C2 ZINC000169703604 562868835 /nfs/dbraw/zinc/86/88/35/562868835.db2.gz NGBPZJBIUIHCHY-UVMMSNCQSA-N 0 0 529.644 4.604 1 0 KJAFRN O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4CC5(CCCC5)NC(=O)[C@H]4c4ccccc4)nc3cc1C2 ZINC000169703605 562868865 /nfs/dbraw/zinc/86/88/65/562868865.db2.gz NGBPZJBIUIHCHY-YDYNHKSESA-N 0 0 529.644 4.604 1 0 KJAFRN O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4CCC5(CC4)CC(=O)c4ccccc4O5)nc3cc1C2 ZINC000169703612 562868881 /nfs/dbraw/zinc/86/88/81/562868881.db2.gz ZBVCNPULWSAJJD-YTTGMZPUSA-N 0 0 516.601 4.619 1 0 KJAFRN O=C1Nc2ncccc2[C@]12Cc1cc3ccc(CN4CCC5(CC4)CC(=O)c4ccccc4O5)nc3cc1C2 ZINC000169703613 562868862 /nfs/dbraw/zinc/86/88/62/562868862.db2.gz ZBVCNPULWSAJJD-JGCGQSQUSA-N 0 0 516.601 4.619 1 0 KJAFRN COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2c(Cl)cccc2[N-]S(C)(=O)=O)n1 ZINC000169703986 562868914 /nfs/dbraw/zinc/86/89/14/562868914.db2.gz JYTGEOSYGPERDW-UHFFFAOYSA-N 0 0 629.061 4.889 1 0 KJAFRN COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(Cl)cc2[N-]S(C)(=O)=O)n1 ZINC000169703987 562868892 /nfs/dbraw/zinc/86/88/92/562868892.db2.gz ZENAVEGFQAMLKF-UHFFFAOYSA-N 0 0 629.061 4.889 1 0 KJAFRN O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccc(OCCN4CCOCC4)cc3)nc2n1 ZINC000169704115 562868934 /nfs/dbraw/zinc/86/89/34/562868934.db2.gz HVTHMKSFASEIDI-UHFFFAOYSA-N 0 0 526.641 4.547 1 0 KJAFRN CCC1(CC)C[C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2ccc(OC(F)(F)F)cc2O1 ZINC000169704435 562868949 /nfs/dbraw/zinc/86/89/49/562868949.db2.gz GJEYJAOKPYIKHI-LJQANCHMSA-N 0 0 533.544 4.978 1 0 KJAFRN CC(C)(C(=O)NC1CC1)n1cc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)cn1 ZINC000169704623 562869053 /nfs/dbraw/zinc/86/90/53/562869053.db2.gz WBJVXOCKPDIYKG-UHFFFAOYSA-N 0 0 525.535 4.562 1 0 KJAFRN CC(C)(C)OC(=O)NC1CN(c2ccnc(-c3ccn4c(c3)ncc4-c3cccc(NC(=O)NCC(F)(F)F)c3)n2)C1 ZINC000169704657 562869044 /nfs/dbraw/zinc/86/90/44/562869044.db2.gz CPAJVIYXPUMPLW-UHFFFAOYSA-N 0 0 582.587 4.855 1 0 KJAFRN O=C(NCC(F)(F)F)Nc1cc(CO)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn32)c1 ZINC000169704741 562869100 /nfs/dbraw/zinc/86/91/00/562869100.db2.gz ATXXDEHFKKXQLH-UHFFFAOYSA-N 0 0 510.398 4.653 1 0 KJAFRN CCOC(=O)Nc1nc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)ncc1F ZINC000169704759 562869139 /nfs/dbraw/zinc/86/91/39/562869139.db2.gz WNCJEOWDAXOCPL-UHFFFAOYSA-N 0 0 517.443 4.850 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000169705487 562869409 /nfs/dbraw/zinc/86/94/09/562869409.db2.gz KCQKWYOOVWMMJQ-HXUWFJFHSA-N 0 0 555.422 4.694 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000169705488 562869408 /nfs/dbraw/zinc/86/94/08/562869408.db2.gz KCQKWYOOVWMMJQ-FQEVSTJZSA-N 0 0 555.422 4.694 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705489 562869407 /nfs/dbraw/zinc/86/94/07/562869407.db2.gz BHSYORLRKZQLHB-OAQYLSRUSA-N 0 0 568.465 4.751 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705490 562869387 /nfs/dbraw/zinc/86/93/87/562869387.db2.gz BHSYORLRKZQLHB-NRFANRHFSA-N 0 0 568.465 4.751 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C(N)=O)cc1C)C2=O ZINC000169705544 562869451 /nfs/dbraw/zinc/86/94/51/562869451.db2.gz KDUYBJFMZZLHIB-HSZRJFAPSA-N 0 0 560.058 4.806 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(C(N)=O)cc1C)C2=O ZINC000169705545 562869464 /nfs/dbraw/zinc/86/94/64/562869464.db2.gz KDUYBJFMZZLHIB-QHCPKHFHSA-N 0 0 560.058 4.806 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2ccc(C(N)=O)cc2C)C3=O)c(OC)n1 ZINC000169705546 562869455 /nfs/dbraw/zinc/86/94/55/562869455.db2.gz KGXIGECSLXWHMJ-JOCHJYFZSA-N 0 0 547.015 4.749 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2ccc(C(N)=O)cc2C)C3=O)c(OC)n1 ZINC000169705547 562869457 /nfs/dbraw/zinc/86/94/57/562869457.db2.gz KGXIGECSLXWHMJ-QFIPXVFZSA-N 0 0 547.015 4.749 1 0 KJAFRN COc1nc(N)ncc1C1=N[C@@H]2C(=O)N(c3cccc(Cl)c3F)[C@@H](c3ccc(Cl)cc3)[C@@H]2N1C(C)C ZINC000169705697 562869613 /nfs/dbraw/zinc/86/96/13/562869613.db2.gz WQOKGGNJPHAUGI-PCCBWWKXSA-N 0 0 529.403 4.509 1 0 KJAFRN COc1nc(N)ncc1C1=N[C@@H]2C(=O)N(c3cccc(Cl)c3F)[C@H](c3ccc(Cl)cc3)[C@@H]2N1C(C)C ZINC000169705699 562869593 /nfs/dbraw/zinc/86/95/93/562869593.db2.gz WQOKGGNJPHAUGI-PWRODBHTSA-N 0 0 529.403 4.509 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705707 562869605 /nfs/dbraw/zinc/86/96/05/562869605.db2.gz MLVQWIAMCUTJAS-OAQYLSRUSA-N 0 0 568.465 4.751 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705708 562869612 /nfs/dbraw/zinc/86/96/12/562869612.db2.gz MLVQWIAMCUTJAS-NRFANRHFSA-N 0 0 568.465 4.751 1 0 KJAFRN CNc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705717 562869596 /nfs/dbraw/zinc/86/95/96/562869596.db2.gz WYKUUMAEXJBREC-HXUWFJFHSA-N 0 0 554.438 4.727 1 0 KJAFRN CNc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705718 562869592 /nfs/dbraw/zinc/86/95/92/562869592.db2.gz WYKUUMAEXJBREC-FQEVSTJZSA-N 0 0 554.438 4.727 1 0 KJAFRN COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)nc(C)n1)C2=O ZINC000169705777 562869676 /nfs/dbraw/zinc/86/96/76/562869676.db2.gz AAJIJBGNQAJINX-XMMPIXPASA-N 0 0 519.005 4.648 1 0 KJAFRN COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)nc(C)n1)C2=O ZINC000169705778 562869662 /nfs/dbraw/zinc/86/96/62/562869662.db2.gz AAJIJBGNQAJINX-DEOSSOPVSA-N 0 0 519.005 4.648 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(C)nc(C)n2)C3=O)c(OC)n1 ZINC000169705799 562869682 /nfs/dbraw/zinc/86/96/82/562869682.db2.gz PHJJUKYJJYGEDR-OAQYLSRUSA-N 0 0 519.993 4.748 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)nc(C)n2)C3=O)c(OC)n1 ZINC000169705800 562869697 /nfs/dbraw/zinc/86/96/97/562869697.db2.gz PHJJUKYJJYGEDR-NRFANRHFSA-N 0 0 519.993 4.748 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705813 562869703 /nfs/dbraw/zinc/86/97/03/562869703.db2.gz RTIUOSDQICRCDW-HXUWFJFHSA-N 0 0 573.412 4.833 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705814 562869690 /nfs/dbraw/zinc/86/96/90/562869690.db2.gz RTIUOSDQICRCDW-FQEVSTJZSA-N 0 0 573.412 4.833 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705815 562869722 /nfs/dbraw/zinc/86/97/22/562869722.db2.gz OMTCYNMUBUJVEF-OAQYLSRUSA-N 0 0 586.455 4.890 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705816 562869718 /nfs/dbraw/zinc/86/97/18/562869718.db2.gz OMTCYNMUBUJVEF-NRFANRHFSA-N 0 0 586.455 4.890 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@](C)(c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705817 562869721 /nfs/dbraw/zinc/86/97/21/562869721.db2.gz YRRRQSYNWFAILP-HHHXNRCGSA-N 0 0 569.449 4.868 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@](C)(c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705818 562869717 /nfs/dbraw/zinc/86/97/17/562869717.db2.gz YRRRQSYNWFAILP-MHZLTWQESA-N 0 0 569.449 4.868 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705819 562869728 /nfs/dbraw/zinc/86/97/28/562869728.db2.gz UAWRUSGOAINWLC-OAQYLSRUSA-N 0 0 586.455 4.890 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705820 562869712 /nfs/dbraw/zinc/86/97/12/562869712.db2.gz UAWRUSGOAINWLC-NRFANRHFSA-N 0 0 586.455 4.890 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000169705821 562869735 /nfs/dbraw/zinc/86/97/35/562869735.db2.gz NJRPTSMHENYHER-HXUWFJFHSA-N 0 0 573.412 4.833 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)c(F)c2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000169705822 562869737 /nfs/dbraw/zinc/86/97/37/562869737.db2.gz NJRPTSMHENYHER-FQEVSTJZSA-N 0 0 573.412 4.833 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)nnc1OC)C2=O ZINC000169705839 562869726 /nfs/dbraw/zinc/86/97/26/562869726.db2.gz FNQNIHGAWFUMNJ-OAQYLSRUSA-N 0 0 549.035 4.506 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)nnc1OC)C2=O ZINC000169705840 562869723 /nfs/dbraw/zinc/86/97/23/562869723.db2.gz FNQNIHGAWFUMNJ-NRFANRHFSA-N 0 0 549.035 4.506 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2F)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705843 562869719 /nfs/dbraw/zinc/86/97/19/562869719.db2.gz MFWOYEIJCJSHAY-HXUWFJFHSA-N 0 0 573.412 4.833 1 0 KJAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2F)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705844 562869729 /nfs/dbraw/zinc/86/97/29/562869729.db2.gz MFWOYEIJCJSHAY-FQEVSTJZSA-N 0 0 573.412 4.833 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1F)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705845 562869756 /nfs/dbraw/zinc/86/97/56/562869756.db2.gz LPTKAFILAPDEPP-OAQYLSRUSA-N 0 0 586.455 4.890 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1F)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705846 562869763 /nfs/dbraw/zinc/86/97/63/562869763.db2.gz LPTKAFILAPDEPP-NRFANRHFSA-N 0 0 586.455 4.890 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1c(F)c(C)nn1C)C2=O ZINC000169705847 562869753 /nfs/dbraw/zinc/86/97/53/562869753.db2.gz PYMYLGUASVHSHV-HXUWFJFHSA-N 0 0 539.015 4.580 1 0 KJAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1c(F)c(C)nn1C)C2=O ZINC000169705848 562869741 /nfs/dbraw/zinc/86/97/41/562869741.db2.gz PYMYLGUASVHSHV-FQEVSTJZSA-N 0 0 539.015 4.580 1 0 KJAFRN COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1c(F)c(C3CC3)nn1C)C2=O ZINC000169705851 562869768 /nfs/dbraw/zinc/86/97/68/562869768.db2.gz UMUKEMGFKUMRBP-XMMPIXPASA-N 0 0 551.022 4.992 1 0 KJAFRN COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1c(F)c(C3CC3)nn1C)C2=O ZINC000169705852 562869758 /nfs/dbraw/zinc/86/97/58/562869758.db2.gz UMUKEMGFKUMRBP-DEOSSOPVSA-N 0 0 551.022 4.992 1 0 KJAFRN CC(C)c1cc(-c2nn(COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000169706526 562869859 /nfs/dbraw/zinc/86/98/59/562869859.db2.gz KOLCMCCJNRJKLN-SANMLTNESA-N 0 0 593.681 4.777 1 0 KJAFRN CC(C)c1cc(-c2nn(COC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000169706527 562869867 /nfs/dbraw/zinc/86/98/67/562869867.db2.gz KOLCMCCJNRJKLN-AREMUKBSSA-N 0 0 593.681 4.777 1 0 KJAFRN Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4C[C@H]5CC[C@@H](C4)O5)ccn32)n1 ZINC000169706574 562869884 /nfs/dbraw/zinc/86/98/84/562869884.db2.gz DVLRGNOMLVHMMA-WMPKNSHKSA-N 0 0 577.689 4.807 1 0 KJAFRN FC(F)(F)CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706906 562869899 /nfs/dbraw/zinc/86/98/99/562869899.db2.gz LVKJKRHVKKFITG-UHFFFAOYSA-N 0 0 511.556 4.749 1 0 KJAFRN C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707170 562869938 /nfs/dbraw/zinc/86/99/38/562869938.db2.gz MNQLLBYNWQEUDQ-PBHICJAKSA-N 0 0 506.912 4.735 1 0 KJAFRN C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707171 562869936 /nfs/dbraw/zinc/86/99/36/562869936.db2.gz FNTSHQIMGVJCMC-CJNGLKHVSA-N 0 0 524.902 4.874 1 0 KJAFRN O=C(Nc1cc(-c2cccc(COC(C(F)(F)F)C(F)(F)F)c2)n(-c2ccccc2)n1)[C@H]1CNC(=O)O1 ZINC000169707288 562869919 /nfs/dbraw/zinc/86/99/19/562869919.db2.gz FHMIRMTTXVUHRU-QGZVFWFLSA-N 0 0 528.409 4.596 1 0 KJAFRN CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(OCCC(F)(F)F)cc2)c1 ZINC000169707296 562869917 /nfs/dbraw/zinc/86/99/17/562869917.db2.gz NCPIAFIRXJCIQB-IBGZPJMESA-N 0 0 500.521 4.898 1 0 KJAFRN CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC(=O)OC(C)(C)C)c2)c1 ZINC000169707310 562869931 /nfs/dbraw/zinc/86/99/31/562869931.db2.gz RPVYOQFTHRNIFN-FQEVSTJZSA-N 0 0 504.587 4.880 1 0 KJAFRN CC(C)Oc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)ccc1F ZINC000169707335 562869961 /nfs/dbraw/zinc/86/99/61/562869961.db2.gz SKQQWXDNQDROPG-SFHVURJKSA-N 0 0 534.510 4.619 1 0 KJAFRN CCCOc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)ccc1F ZINC000169707336 562869956 /nfs/dbraw/zinc/86/99/56/562869956.db2.gz ZEAKMZDFJXHUKI-SFHVURJKSA-N 0 0 534.510 4.621 1 0 KJAFRN CCCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707361 562869950 /nfs/dbraw/zinc/86/99/50/562869950.db2.gz JYHKXXNWFGBGJQ-XLIONFOSSA-N 0 0 530.547 4.870 1 0 KJAFRN CC(C)Oc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707362 562869951 /nfs/dbraw/zinc/86/99/51/562869951.db2.gz FMJWDQSOAHKTLW-XLIONFOSSA-N 0 0 530.547 4.869 1 0 KJAFRN CC(C)Oc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707369 562869939 /nfs/dbraw/zinc/86/99/39/562869939.db2.gz HQAMZUARTHDQMB-SFHVURJKSA-N 0 0 534.510 4.619 1 0 KJAFRN CCOc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707371 562869947 /nfs/dbraw/zinc/86/99/47/562869947.db2.gz OUOFWJRERYFAPU-QAPCUYQASA-N 0 0 534.510 4.619 1 0 KJAFRN C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1)C(F)(F)F ZINC000169707383 562869949 /nfs/dbraw/zinc/86/99/49/562869949.db2.gz VNBCDXRXKXOGQC-PBHICJAKSA-N 0 0 506.912 4.735 1 0 KJAFRN CC(C)Oc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1F ZINC000169707389 562869974 /nfs/dbraw/zinc/86/99/74/562869974.db2.gz SWYLAXAMVMYEFU-SFHVURJKSA-N 0 0 534.510 4.619 1 0 KJAFRN CCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1F ZINC000169707392 562869969 /nfs/dbraw/zinc/86/99/69/562869969.db2.gz LWSWQSSLVXKKFX-QAPCUYQASA-N 0 0 534.510 4.619 1 0 KJAFRN C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1)C(F)(F)F ZINC000169707410 562869986 /nfs/dbraw/zinc/86/99/86/562869986.db2.gz FSQRXSNUCBIUQO-PBHICJAKSA-N 0 0 506.912 4.735 1 0 KJAFRN C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1)C(F)(F)F ZINC000169707416 562869980 /nfs/dbraw/zinc/86/99/80/562869980.db2.gz AHVFLLUNRYUZKW-CJNGLKHVSA-N 0 0 524.902 4.874 1 0 KJAFRN C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1)C(F)(F)F ZINC000169707417 562869988 /nfs/dbraw/zinc/86/99/88/562869988.db2.gz BHEIIBZSABIKNS-CJNGLKHVSA-N 0 0 524.902 4.874 1 0 KJAFRN CC(C)Oc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707432 562869987 /nfs/dbraw/zinc/86/99/87/562869987.db2.gz WMCDCGCHOPYKES-SFHVURJKSA-N 0 0 534.510 4.619 1 0 KJAFRN CCOc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707435 562869976 /nfs/dbraw/zinc/86/99/76/562869976.db2.gz BBQFSWVFQKLBNV-QAPCUYQASA-N 0 0 534.510 4.619 1 0 KJAFRN CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707449 562869990 /nfs/dbraw/zinc/86/99/90/562869990.db2.gz NEJUPBOSADBOHL-KRWDZBQOSA-N 0 0 504.484 4.611 1 0 KJAFRN C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)O3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707451 562869971 /nfs/dbraw/zinc/86/99/71/562869971.db2.gz OJNKUHQHSCWKHQ-CWTRNNRKSA-N 0 0 526.874 4.846 1 0 KJAFRN CC(C)(OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707455 562870031 /nfs/dbraw/zinc/87/00/31/562870031.db2.gz HQXLVHNWEWVTNR-KRWDZBQOSA-N 0 0 504.484 4.611 1 0 KJAFRN C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2F)c1)C(F)(F)F ZINC000169707458 562870006 /nfs/dbraw/zinc/87/00/06/562870006.db2.gz FYXTZPJFLCBYMX-CJNGLKHVSA-N 0 0 524.902 4.874 1 0 KJAFRN C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1)C(F)(F)F ZINC000169707459 562870033 /nfs/dbraw/zinc/87/00/33/562870033.db2.gz FCDCGSTVKKLQLG-CJNGLKHVSA-N 0 0 524.902 4.874 1 0 KJAFRN CC(C)(OCc1cc(Cl)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707471 562870007 /nfs/dbraw/zinc/87/00/07/562870007.db2.gz XMRAZVDAGNZIRB-GOSISDBHSA-N 0 0 521.927 4.670 1 0 KJAFRN CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707472 562870028 /nfs/dbraw/zinc/87/00/28/562870028.db2.gz USLRTKIDSBWSOB-INIZCTEOSA-N 0 0 522.474 4.750 1 0 KJAFRN CC(C)(OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707476 562870017 /nfs/dbraw/zinc/87/00/17/562870017.db2.gz JTCISAKXSUKGFK-GOSISDBHSA-N 0 0 521.927 4.670 1 0 KJAFRN CC(C)(OCc1cc(Cl)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707477 562870004 /nfs/dbraw/zinc/87/00/04/562870004.db2.gz ZOXIZUODRYETOU-GOSISDBHSA-N 0 0 539.917 4.809 1 0 KJAFRN CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707480 562870030 /nfs/dbraw/zinc/87/00/30/562870030.db2.gz OVPQBAXMNQKUTB-GOSISDBHSA-N 0 0 539.917 4.809 1 0 KJAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)OC)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000169707536 562870049 /nfs/dbraw/zinc/87/00/49/562870049.db2.gz QQNYFZMXLDOHEF-UHFFFAOYSA-N 0 0 538.761 4.788 1 0 KJAFRN COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(N)=O)CC1)C(=O)C2 ZINC000169708274 562870244 /nfs/dbraw/zinc/87/02/44/562870244.db2.gz PVWIHZKBGXGVTC-VGMBQNGWSA-N 0 0 500.039 4.932 1 0 KJAFRN COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(N)=O)CC1)C(=O)C2 ZINC000169708275 562870246 /nfs/dbraw/zinc/87/02/46/562870246.db2.gz PVWIHZKBGXGVTC-NSOLWDIASA-N 0 0 500.039 4.932 1 0 KJAFRN COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N3CCNC3=O)CC1)C(=O)C2 ZINC000169708276 562870226 /nfs/dbraw/zinc/87/02/26/562870226.db2.gz OMVWUOHSEOVQGN-HAPLJMJGSA-N 0 0 512.050 4.946 1 0 KJAFRN COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N3CCNC3=O)CC1)C(=O)C2 ZINC000169708277 562870235 /nfs/dbraw/zinc/87/02/35/562870235.db2.gz OMVWUOHSEOVQGN-SRDVKXRDSA-N 0 0 512.050 4.946 1 0 KJAFRN COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(=O)CCO)CC1)C(=O)C2 ZINC000169708278 562870245 /nfs/dbraw/zinc/87/02/45/562870245.db2.gz WVFCXNDELQILBB-RZRYPWFSSA-N 0 0 529.077 4.762 1 0 KJAFRN COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N(C)C(=O)CCO)CC1)C(=O)C2 ZINC000169708279 562870239 /nfs/dbraw/zinc/87/02/39/562870239.db2.gz WVFCXNDELQILBB-AOEXMQEJSA-N 0 0 529.077 4.762 1 0 KJAFRN Cc1c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12 ZINC000169708365 562870307 /nfs/dbraw/zinc/87/03/07/562870307.db2.gz ASTHYPJKVXDBMA-IAGOWNOFSA-N 0 0 551.591 4.964 1 0 KJAFRN CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(OCC5CC5)c4)C3)cc2)s1 ZINC000169709235 562870412 /nfs/dbraw/zinc/87/04/12/562870412.db2.gz LBFQSESMRFLEPG-BXKMTCNYSA-N 0 0 535.670 4.742 1 0 KJAFRN CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)s1 ZINC000169709238 562870398 /nfs/dbraw/zinc/87/03/98/562870398.db2.gz HCGKOUMGCUTURX-IFXJQAMLSA-N 0 0 533.576 4.972 1 0 KJAFRN CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4sc(NC(C)=O)nc4C)cc3)C2)cn1 ZINC000169709239 562870389 /nfs/dbraw/zinc/87/03/89/562870389.db2.gz AUESRZZJQLUSMJ-GAJHUEQPSA-N 0 0 523.659 4.742 1 0 KJAFRN CCCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4sc(NC(C)=O)nc4C)cc3)C2)c(F)c1 ZINC000169709241 562870411 /nfs/dbraw/zinc/87/04/11/562870411.db2.gz CDEIZGBSTYCPRJ-HRAATJIYSA-N 0 0 541.649 4.882 1 0 KJAFRN CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(OC(C)C)c4)C3)cc2)s1 ZINC000169709242 562870395 /nfs/dbraw/zinc/87/03/95/562870395.db2.gz BECBSGXWZWBCLC-GAJHUEQPSA-N 0 0 523.659 4.741 1 0 KJAFRN CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4sc(NC(C)=O)nc4C)cc3)C2)nc1 ZINC000169709243 562870410 /nfs/dbraw/zinc/87/04/10/562870410.db2.gz RBQKKUYJBBIFNC-GAJHUEQPSA-N 0 0 523.659 4.742 1 0 KJAFRN CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709387 562870406 /nfs/dbraw/zinc/87/04/06/562870406.db2.gz GHQRIPCDNOPNCH-ITSWEJNFSA-N 0 0 571.650 4.988 1 0 KJAFRN CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709388 562870385 /nfs/dbraw/zinc/87/03/85/562870385.db2.gz GHQRIPCDNOPNCH-GRWTVWFQSA-N 0 0 571.650 4.988 1 0 KJAFRN C[C@H](NC(=O)c1cncs1)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709508 562870416 /nfs/dbraw/zinc/87/04/16/562870416.db2.gz LEFKCKMRNATZKQ-DJPFJPOOSA-N 0 0 500.571 4.721 1 0 KJAFRN C[C@H](NC(=O)c1cncs1)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709509 562870440 /nfs/dbraw/zinc/87/04/40/562870440.db2.gz LEFKCKMRNATZKQ-MDKPJZGXSA-N 0 0 500.571 4.721 1 0 KJAFRN CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709575 562870433 /nfs/dbraw/zinc/87/04/33/562870433.db2.gz GHQRIPCDNOPNCH-LERMDLETSA-N 0 0 571.650 4.988 1 0 KJAFRN CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709576 562870437 /nfs/dbraw/zinc/87/04/37/562870437.db2.gz GHQRIPCDNOPNCH-YBVWCTEOSA-N 0 0 571.650 4.988 1 0 KJAFRN COCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709635 562870432 /nfs/dbraw/zinc/87/04/32/562870432.db2.gz GVHWRHCDNMMIHD-KPDCDPCYSA-N 0 0 601.676 4.614 1 0 KJAFRN COCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709636 562870434 /nfs/dbraw/zinc/87/04/34/562870434.db2.gz GVHWRHCDNMMIHD-NYDSKATKSA-N 0 0 601.676 4.614 1 0 KJAFRN Cc1nc(N)sc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709937 562870459 /nfs/dbraw/zinc/87/04/59/562870459.db2.gz RWPMPXFGVIIBSX-UQASEVPWSA-N 0 0 529.613 4.611 1 0 KJAFRN Cc1nc(N)sc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000169709938 562870455 /nfs/dbraw/zinc/87/04/55/562870455.db2.gz RWPMPXFGVIIBSX-XERREHJYSA-N 0 0 529.613 4.611 1 0 KJAFRN Cc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ncc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)on1 ZINC000169710365 562870618 /nfs/dbraw/zinc/87/06/18/562870618.db2.gz FGAZQSUHSMGEAD-GFCCVEGCSA-N 0 0 573.355 4.511 1 0 KJAFRN C[C@@H](NC(=O)C1(NC(=O)c2ccno2)COC1)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F ZINC000169710393 562870643 /nfs/dbraw/zinc/87/06/43/562870643.db2.gz TVIHSGNVGMFCOO-GFCCVEGCSA-N 0 0 558.340 4.808 1 0 KJAFRN COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)cn1 ZINC000169710396 562870649 /nfs/dbraw/zinc/87/06/49/562870649.db2.gz RZQSOEQLZFJFFD-CYBMUJFWSA-N 0 0 599.393 4.618 1 0 KJAFRN COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)on1 ZINC000169710398 562870659 /nfs/dbraw/zinc/87/06/59/562870659.db2.gz LMQBUNABDATEJZ-GFCCVEGCSA-N 0 0 588.366 4.816 1 0 KJAFRN Cc1nnc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-c4cc(Cl)cc(Cl)c4OCC(F)F)cc3F)COC2)o1 ZINC000169710399 562870652 /nfs/dbraw/zinc/87/06/52/562870652.db2.gz QUODQZASWJEYAM-LLVKDONJSA-N 0 0 573.355 4.511 1 0 KJAFRN O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)N1CC=C(c2ncc(C[C@@H](O)CO)cc2Cl)CC1 ZINC000169710873 562870727 /nfs/dbraw/zinc/87/07/27/562870727.db2.gz VOUGSEOJKFBQHY-OAHLLOKOSA-N 0 0 506.308 4.504 1 0 KJAFRN CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC(O)CC3)s2)c1 ZINC000169711599 562871102 /nfs/dbraw/zinc/87/11/02/562871102.db2.gz UJSUBQLZSOLMFU-UHFFFAOYSA-N 0 0 593.706 4.702 1 0 KJAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(CNS(C)(=O)=O)cc2)c1 ZINC000169711855 562871112 /nfs/dbraw/zinc/87/11/12/562871112.db2.gz JZTHVVLHPZQDFA-KRWDZBQOSA-N 0 0 505.562 4.545 1 0 KJAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(CNS(C)(=O)=O)cc2)c1 ZINC000169711856 562871139 /nfs/dbraw/zinc/87/11/39/562871139.db2.gz JZTHVVLHPZQDFA-QGZVFWFLSA-N 0 0 505.562 4.545 1 0 KJAFRN Cc1cccc(-c2nc(C(C)(C)C)ccc2CNC(=O)[C@@H](C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1 ZINC000169711868 562871113 /nfs/dbraw/zinc/87/11/13/562871113.db2.gz ZSQQWHRLJDQMJI-IBGZPJMESA-N 0 0 511.663 4.963 1 0 KJAFRN Cc1cccc(-c2nc(C(C)(C)C)ccc2CNC(=O)[C@H](C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1 ZINC000169711869 562871119 /nfs/dbraw/zinc/87/11/19/562871119.db2.gz ZSQQWHRLJDQMJI-LJQANCHMSA-N 0 0 511.663 4.963 1 0 KJAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1 ZINC000169711870 562871141 /nfs/dbraw/zinc/87/11/41/562871141.db2.gz BVPHKCLFOFSJOD-MRXNPFEDSA-N 0 0 523.552 4.684 1 0 KJAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)c(F)c2)c1 ZINC000169711871 562871126 /nfs/dbraw/zinc/87/11/26/562871126.db2.gz RKDUDSFOPJMGMR-UHFFFAOYSA-N 0 0 510.513 4.586 1 0 KJAFRN COc1cc([C@@H](C)C(=O)NCc2ccc(C(F)(F)F)nc2-c2cccc(C)c2)ccc1CNS(C)(=O)=O ZINC000169711878 562871138 /nfs/dbraw/zinc/87/11/38/562871138.db2.gz IJLACUSCEFDWEA-QGZVFWFLSA-N 0 0 535.588 4.554 1 0 KJAFRN COc1cc([C@H](C)C(=O)NCc2ccc(C(F)(F)F)nc2-c2cccc(C)c2)ccc1CNS(C)(=O)=O ZINC000169711879 562871122 /nfs/dbraw/zinc/87/11/22/562871122.db2.gz IJLACUSCEFDWEA-KRWDZBQOSA-N 0 0 535.588 4.554 1 0 KJAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)c(C)c2)c1 ZINC000169711880 562871137 /nfs/dbraw/zinc/87/11/37/562871137.db2.gz KMTVXPVGBSJAMY-UHFFFAOYSA-N 0 0 506.550 4.755 1 0 KJAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(CNS(C)(=O)=O)c(C)c2)c1 ZINC000169711887 562871173 /nfs/dbraw/zinc/87/11/73/562871173.db2.gz BFRVBYOASUJXGO-SFHVURJKSA-N 0 0 519.589 4.853 1 0 KJAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(CNS(C)(=O)=O)c(C)c2)c1 ZINC000169711888 562871161 /nfs/dbraw/zinc/87/11/61/562871161.db2.gz BFRVBYOASUJXGO-GOSISDBHSA-N 0 0 519.589 4.853 1 0 KJAFRN Cc1cccc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1 ZINC000169711889 562871150 /nfs/dbraw/zinc/87/11/50/562871150.db2.gz BVPHKCLFOFSJOD-INIZCTEOSA-N 0 0 523.552 4.684 1 0 KJAFRN COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000169725800 562871358 /nfs/dbraw/zinc/87/13/58/562871358.db2.gz VWTNSRLJCJUDPP-RZNYTTDSSA-N 0 0 516.594 4.588 1 0 KJAFRN COC1=C(C)C(=O)O/C1=C\[C@H](C)CCC/C(C)=C/CC/C(C)=C/CC[C@]1(O)[C@H](OC)O[C@@H](OC)[C@H]1O ZINC000195348333 562871685 /nfs/dbraw/zinc/87/16/85/562871685.db2.gz XKVCVQGPBKKNLB-NWPGCTLLSA-N 0 0 508.652 4.674 1 0 KJAFRN COC1=C(C)C(=O)O/C1=C\[C@H](C)CCC/C(C)=C/CC/C(C)=C/CC[C@]1(O)[C@H](OC)O[C@H](OC)[C@H]1O ZINC000195348339 562871680 /nfs/dbraw/zinc/87/16/80/562871680.db2.gz XKVCVQGPBKKNLB-XWVAFWHGSA-N 0 0 508.652 4.674 1 0 KJAFRN COc1cc(C(=O)[C@@H]2C[C@@]3(CC[C@@]2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC ZINC000195499090 562872005 /nfs/dbraw/zinc/87/20/05/562872005.db2.gz ZLDVRLQYZOGQBP-OECDYNQXSA-N 0 0 619.667 4.820 1 0 KJAFRN COc1cc(C(=O)[C@@H]2C[C@]3(CC[C@@]2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC ZINC000195499095 562872006 /nfs/dbraw/zinc/87/20/06/562872006.db2.gz ZLDVRLQYZOGQBP-AKVSQROUSA-N 0 0 619.667 4.820 1 0 KJAFRN COC(=O)[C@@]12CN(C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000195839114 562872366 /nfs/dbraw/zinc/87/23/66/562872366.db2.gz UJJBKAUOPDYSBC-YQXZIBMNSA-N 0 0 574.288 4.861 1 0 KJAFRN CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C ZINC000195985172 291857671 /nfs/dbraw/zinc/85/76/71/291857671.db2.gz FKDZVYSKSQDUKG-IRKKXACWSA-N 0 0 724.800 4.861 1 0 KJAFRN COc1ccc([Si](C)(C)[C@@H]2[C@@H](C)[C@]3(O[C@H]2CCO)c2ccccc2N(Cc2cccc(N4CCOC4=O)c2)C3=O)cc1 ZINC000197078745 562872574 /nfs/dbraw/zinc/87/25/74/562872574.db2.gz BPDQNGFFENWBGP-QGXJGSAGSA-N 0 0 586.761 4.797 1 0 KJAFRN O=C(NCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1)c1ccccc1 ZINC000198470892 562872716 /nfs/dbraw/zinc/87/27/16/562872716.db2.gz TYPXQOCPUHDKSH-UHFFFAOYSA-N 0 0 662.751 4.870 1 0 KJAFRN CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@H]1c1ccc(Cl)cc1 ZINC000198497901 562872743 /nfs/dbraw/zinc/87/27/43/562872743.db2.gz WXXNFACMBMUTRV-SDHOMARFSA-N 0 0 511.022 4.744 1 0 KJAFRN COC(=O)CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1 ZINC000198499620 562872770 /nfs/dbraw/zinc/87/27/70/562872770.db2.gz QUGOGIMKYSACGJ-UHFFFAOYSA-N 0 0 714.824 4.793 1 0 KJAFRN COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)N1CCN(C)CC1)CCCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1cc-2ccn1 ZINC000198834363 562872890 /nfs/dbraw/zinc/87/28/90/562872890.db2.gz ORTSQVKJVXPUFI-AKQQUHDPSA-N 0 0 699.216 4.555 1 0 KJAFRN COC(=O)Nc1ccc2c(c1)NCCCCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 ZINC000198858615 562872861 /nfs/dbraw/zinc/87/28/61/562872861.db2.gz NUKTZZLSBWONLO-LTSKSLEPSA-N 0 0 562.034 4.741 1 0 KJAFRN CC(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)C(=O)C[C@@H]1[C@]2(C)[C@@H](OC(C)=O)CC(=O)OC1(C)C ZINC000199556966 562872978 /nfs/dbraw/zinc/87/29/78/562872978.db2.gz WDZWZRFKFGLHNZ-JAFNOTQXSA-N 0 0 526.626 4.910 1 0 KJAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC(N(C4CC4)S(=O)(=O)c4ccc(Cl)cc4)CC2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000199640724 562873022 /nfs/dbraw/zinc/87/30/22/562873022.db2.gz UNMQLSNTIPDMEH-QFIPXVFZSA-N 0 0 679.243 4.893 1 0 KJAFRN CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H](NC(=O)OCC)CC3)C1 ZINC000199767561 562873074 /nfs/dbraw/zinc/87/30/74/562873074.db2.gz HRMURBAIJGSNMA-IZZNHLLZSA-N 0 0 535.106 4.778 1 0 KJAFRN CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H](NC(=O)OCC)CC3)C1 ZINC000199767581 562873083 /nfs/dbraw/zinc/87/30/83/562873083.db2.gz HRMURBAIJGSNMA-CLJLJLNGSA-N 0 0 535.106 4.778 1 0 KJAFRN CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H](NC(=O)OCC)CC3)C1 ZINC000199767594 562873062 /nfs/dbraw/zinc/87/30/62/562873062.db2.gz HRMURBAIJGSNMA-UIOOFZCWSA-N 0 0 535.106 4.778 1 0 KJAFRN CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H](NC(=O)OCC)CC3)C1 ZINC000199767607 562873089 /nfs/dbraw/zinc/87/30/89/562873089.db2.gz HRMURBAIJGSNMA-FTJBHMTQSA-N 0 0 535.106 4.778 1 0 KJAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCC3CN(S(=O)(=O)CC4CC4)C3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000199767681 562873084 /nfs/dbraw/zinc/87/30/84/562873084.db2.gz YTQPCTLKMSBLFX-RRPNLBNLSA-N 0 0 547.117 4.778 1 0 KJAFRN CCOC(=O)N[C@H]1CCc2ccc(OCC3CN(S(=O)(=O)CC4CC4)C3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000199767695 562873080 /nfs/dbraw/zinc/87/30/80/562873080.db2.gz YTQPCTLKMSBLFX-SVBPBHIXSA-N 0 0 547.117 4.778 1 0 KJAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCC3CN(S(=O)(=O)CC4CC4)C3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000199767712 562873066 /nfs/dbraw/zinc/87/30/66/562873066.db2.gz YTQPCTLKMSBLFX-KAYWLYCHSA-N 0 0 547.117 4.778 1 0 KJAFRN CCOC(=O)N[C@H]1CCc2ccc(OCC3CN(S(=O)(=O)CC4CC4)C3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000199767725 562873082 /nfs/dbraw/zinc/87/30/82/562873082.db2.gz YTQPCTLKMSBLFX-SXOMAYOGSA-N 0 0 547.117 4.778 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](C)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1 ZINC000199800182 562873085 /nfs/dbraw/zinc/87/30/85/562873085.db2.gz PQSHODILBAUMMD-XMSQKQJNSA-N 0 0 526.616 4.905 1 0 KJAFRN CN1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nsnc5c4)c3c2)C1 ZINC000199802731 562873113 /nfs/dbraw/zinc/87/31/13/562873113.db2.gz VJLVYEPJGZOKTG-YJBOKZPZSA-N 0 0 518.593 4.806 1 0 KJAFRN CN1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nsnc5c4)c3c2)C1 ZINC000199802764 562873135 /nfs/dbraw/zinc/87/31/35/562873135.db2.gz VJLVYEPJGZOKTG-QAPCUYQASA-N 0 0 518.593 4.806 1 0 KJAFRN CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1c(F)cccc1OC ZINC000199804880 562873102 /nfs/dbraw/zinc/87/31/02/562873102.db2.gz DTMKTYJQUHQINJ-LXFBAYGMSA-N 0 0 572.685 4.712 1 0 KJAFRN Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)Nc5nccs5)N(CCc5ccccc5)C4)cc32)ccn1 ZINC000199804964 562873143 /nfs/dbraw/zinc/87/31/43/562873143.db2.gz LMUFRONSMNHAAS-SQHAQQRYSA-N 0 0 565.703 4.834 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000199805449 562873146 /nfs/dbraw/zinc/87/31/46/562873146.db2.gz ZBIAVFWZCYPEQI-NEEKEDPPSA-N 0 0 685.801 4.923 1 0 KJAFRN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc(C(C)=O)cc4)c3c2)C1 ZINC000199805789 562873152 /nfs/dbraw/zinc/87/31/52/562873152.db2.gz JRYAGJPZWUIIBI-JOCHJYFZSA-N 0 0 500.574 4.975 1 0 KJAFRN CC(C)(C)c1cc2c(s1)C(=O)N(c1nc(-c3cc(Nc4cc(C5CC5)[nH]n4)c(=O)[nH]n3)ccc1F)C2 ZINC000199975905 562873161 /nfs/dbraw/zinc/87/31/61/562873161.db2.gz FIZJDZYXSLJGCM-UHFFFAOYSA-N 0 0 505.579 4.835 1 0 KJAFRN CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4csc(-c5cccnc5)n4)c3)sc2C1 ZINC000199994597 562873220 /nfs/dbraw/zinc/87/32/20/562873220.db2.gz PMZVZOSOGDHRCQ-JOCHJYFZSA-N 0 0 530.679 4.879 1 0 KJAFRN CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4csc(-c5ccncc5)n4)c3)sc2C1 ZINC000199997497 562873266 /nfs/dbraw/zinc/87/32/66/562873266.db2.gz BZGRGOMOHVCQJI-JOCHJYFZSA-N 0 0 530.679 4.879 1 0 KJAFRN CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cc[nH]n5)cc4)c3)sc2C1 ZINC000200015804 562873239 /nfs/dbraw/zinc/87/32/39/562873239.db2.gz KIKFLGIKBSYKAT-XMMPIXPASA-N 0 0 512.639 4.751 1 0 KJAFRN COc1cccc(N2CCN(CC(=O)N3CCN(c4nnc(-c5ccc(Cl)cc5)c(-c5ccc(Cl)cc5)n4)CC3)CC2)c1 ZINC000200021713 562873289 /nfs/dbraw/zinc/87/32/89/562873289.db2.gz HLSPGGPBIHDDCB-UHFFFAOYSA-N 0 0 618.569 4.992 1 0 KJAFRN O=C(CN1CCN(c2ccccc2)CC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000200026768 562873301 /nfs/dbraw/zinc/87/33/01/562873301.db2.gz OXJLPYLXJMWIGV-UHFFFAOYSA-N 0 0 588.543 4.983 1 0 KJAFRN O=C(CNC(=O)[C@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1cccnc1)N[C@@H]1CCCc2ccccc21 ZINC000200151125 562873276 /nfs/dbraw/zinc/87/32/76/562873276.db2.gz LYBZTBNWUUYLRF-CCNCKIRNSA-N 0 0 524.665 4.523 1 0 KJAFRN O=C(CNC(=O)[C@H](NC(=O)[C@H](c1ccccc1)C1CCCC1)c1cccnc1)N[C@@H]1CCCc2ccccc21 ZINC000200151152 562873285 /nfs/dbraw/zinc/87/32/85/562873285.db2.gz LYBZTBNWUUYLRF-MJLPRTPSSA-N 0 0 524.665 4.523 1 0 KJAFRN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCOC[C@H]1O[C@@H](O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(C)C ZINC000200164116 562873288 /nfs/dbraw/zinc/87/32/88/562873288.db2.gz OJJWOOBVZIMMKQ-JTRCLYGWSA-N 0 0 748.914 4.711 1 0 KJAFRN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCOC[C@H]1O[C@H](O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(C)C ZINC000200164141 562873311 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ZINC000205024083 562874723 /nfs/dbraw/zinc/87/47/23/562874723.db2.gz BXEFDMVZWGEXAU-NEEKEDPPSA-N 0 0 671.774 4.533 1 0 KJAFRN O=C(N[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1 ZINC000205027084 562874782 /nfs/dbraw/zinc/87/47/82/562874782.db2.gz RRMIDCKHZVDROT-OFSOJUDTSA-N 0 0 544.659 4.704 1 0 KJAFRN CCCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1c(F)cccc1OC ZINC000205031525 562874808 /nfs/dbraw/zinc/87/48/08/562874808.db2.gz GQXMXCJVHZMHKT-LXFBAYGMSA-N 0 0 572.685 4.712 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C[C@H](C)C1 ZINC000205034179 562874791 /nfs/dbraw/zinc/87/47/91/562874791.db2.gz LFKHIVSTWCPQDN-QFBILLFUSA-N 0 0 514.561 4.554 1 0 KJAFRN CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1ccccc1F ZINC000205036644 562874786 /nfs/dbraw/zinc/87/47/86/562874786.db2.gz SBORILHDYGDTGL-YWEHKCAJSA-N 0 0 542.659 4.704 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCC(F)(F)F ZINC000205036730 562874800 /nfs/dbraw/zinc/87/48/00/562874800.db2.gz JIUCXVNOVPNPTE-NLFFAJNJSA-N 0 0 598.601 4.523 1 0 KJAFRN CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1c(F)cccc1F ZINC000205037033 562874841 /nfs/dbraw/zinc/87/48/41/562874841.db2.gz QJPNFSAXATVTFC-DFHRPNOPSA-N 0 0 560.649 4.843 1 0 KJAFRN Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@@H]5C[C@@H]6C[C@H]5N(Cc5c(F)cccc5F)C6)cc43)ccc2n1 ZINC000205038139 562874829 /nfs/dbraw/zinc/87/48/29/562874829.db2.gz OPFVKXUTFNNWJC-GUYXYOOLSA-N 0 0 512.564 4.788 1 0 KJAFRN Cn1cc2cc(-c3n[nH]c4ccc(C(=O)N[C@H]5C[C@@H]6C[C@H]5N(Cc5c(F)cccc5F)C6)cc43)ccc2n1 ZINC000205038152 562874850 /nfs/dbraw/zinc/87/48/50/562874850.db2.gz OPFVKXUTFNNWJC-NDHZUNLQSA-N 0 0 512.564 4.788 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NC1CCCC1 ZINC000205038962 562874840 /nfs/dbraw/zinc/87/48/40/562874840.db2.gz UZUAYNPERZVBFU-GIGWZHCTSA-N 0 0 584.696 4.903 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)CC[C@H]1C(=O)N1CC(F)(F)C1 ZINC000205041838 562874872 /nfs/dbraw/zinc/87/48/72/562874872.db2.gz HGAVMUUXSKPRQO-DFHRPNOPSA-N 0 0 631.659 4.505 1 0 KJAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCCNC(=O)OC(C)(C)C ZINC000205042502 562874870 /nfs/dbraw/zinc/87/48/70/562874870.db2.gz QBOSVTBVIPFGJZ-RNAHPLFWSA-N 0 0 673.790 4.875 1 0 KJAFRN CC[C@@H]1CC[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N1C(=O)Nc1cn(C(N)=O)c2ccccc12 ZINC000205051565 562874902 /nfs/dbraw/zinc/87/49/02/562874902.db2.gz VVFVNHZLIIVBPH-QRWLVFNGSA-N 0 0 503.481 4.880 1 0 KJAFRN COc1cc(N2CCN(C(=O)Cn3cnc4ccc(C(F)(F)F)cc43)C[C@@H]2C)ccc1-c1cnc(C)o1 ZINC000205108131 562874942 /nfs/dbraw/zinc/87/49/42/562874942.db2.gz BICRCSXTFJEBGH-INIZCTEOSA-N 0 0 513.520 4.764 1 0 KJAFRN COc1cc(N2CCN(C(=O)Cn3cnc4cc(C(F)(F)F)ccc43)C[C@@H]2C)ccc1-c1cnc(C)o1 ZINC000205108211 562874986 /nfs/dbraw/zinc/87/49/86/562874986.db2.gz OHOBSERAKPOKBC-INIZCTEOSA-N 0 0 513.520 4.764 1 0 KJAFRN O=C(c1ccc(Cl)cc1F)N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205331895 562875105 /nfs/dbraw/zinc/87/51/05/562875105.db2.gz PMQXWQKLBDWMNZ-HHHXNRCGSA-N 0 0 637.089 4.563 1 0 KJAFRN O=C(c1ccc(Cl)cc1F)N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205331912 562875150 /nfs/dbraw/zinc/87/51/50/562875150.db2.gz PMQXWQKLBDWMNZ-MHZLTWQESA-N 0 0 637.089 4.563 1 0 KJAFRN C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(N4CCOCC4)ccc3[nH]2)C1=O ZINC000205333430 562875137 /nfs/dbraw/zinc/87/51/37/562875137.db2.gz IRAXFIAWXJVVGU-SONOPUAISA-N 0 0 514.557 4.717 1 0 KJAFRN CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205340933 562875116 /nfs/dbraw/zinc/87/51/16/562875116.db2.gz KZYCFKDRYYLKKX-UHFFFAOYSA-N 0 0 590.740 4.874 1 0 KJAFRN CC(C)(C)OC(=O)N1CCC(CCN2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205343989 562875175 /nfs/dbraw/zinc/87/51/75/562875175.db2.gz CYLDECDMQDOILW-AREMUKBSSA-N 0 0 608.717 4.503 1 0 KJAFRN CC(C)(C)OC(=O)N1CCC(CCN2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205344005 562875180 /nfs/dbraw/zinc/87/51/80/562875180.db2.gz CYLDECDMQDOILW-SANMLTNESA-N 0 0 608.717 4.503 1 0 KJAFRN O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205358223 562875228 /nfs/dbraw/zinc/87/52/28/562875228.db2.gz PKIYOPFRLHCGJN-UHFFFAOYSA-N 0 0 715.788 4.972 1 0 KJAFRN O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205367938 562875266 /nfs/dbraw/zinc/87/52/66/562875266.db2.gz FYNZNIRXAODRQU-UHFFFAOYSA-N 0 0 700.095 4.535 1 0 KJAFRN CCOC(=O)[C@H]1CCCC[C@H](NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2N1 ZINC000205371205 562875267 /nfs/dbraw/zinc/87/52/67/562875267.db2.gz BNKJNEZXZHRTHJ-GGRGIUQZSA-N 0 0 634.097 4.672 1 0 KJAFRN CCOC(=O)[C@@H]1CCCC[C@H](NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c2cc(cc(=O)[nH]2)-c2ccc(NC(=O)OC)cc2N1 ZINC000205372178 562875271 /nfs/dbraw/zinc/87/52/71/562875271.db2.gz CZRJSJUQMJEPTE-NJTDZYNDSA-N 0 0 661.119 4.638 1 0 KJAFRN CCOC(=O)[C@H]1CCCC[C@H](NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c2cc(cc(=O)[nH]2)-c2ccc(NC(=O)OC)cc2N1 ZINC000205372197 562875275 /nfs/dbraw/zinc/87/52/75/562875275.db2.gz CZRJSJUQMJEPTE-MJOHNVJBSA-N 0 0 661.119 4.638 1 0 KJAFRN CCOC(=O)[C@@H]1CCCC[C@@H](NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c2cc(cc(=O)[nH]2)-c2ccc(NC(=O)OC)cc2N1 ZINC000205372212 562875272 /nfs/dbraw/zinc/87/52/72/562875272.db2.gz CZRJSJUQMJEPTE-ZPBDRUHYSA-N 0 0 661.119 4.638 1 0 KJAFRN CCOC(=O)[C@H]1CCCC[C@@H](NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c2cc(cc(=O)[nH]2)-c2ccc(NC(=O)OC)cc2N1 ZINC000205372228 562875276 /nfs/dbraw/zinc/87/52/76/562875276.db2.gz CZRJSJUQMJEPTE-JCLWYOCQSA-N 0 0 661.119 4.638 1 0 KJAFRN Cn1cc(-c2ccc(C(F)(F)F)cc2-c2ccn(C3C[NH2+]C3)n2)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000205420758 562875301 /nfs/dbraw/zinc/87/53/01/562875301.db2.gz RJDYTEIIPSCEMA-UHFFFAOYSA-N 0 0 559.599 4.524 1 0 KJAFRN CN(c1ncnc2c(-c3ccc(S(C)(=O)=O)cc3F)csc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000205467506 562875461 /nfs/dbraw/zinc/87/54/61/562875461.db2.gz ORMBWQCNMAYKTE-UHFFFAOYSA-N 0 0 520.652 4.737 1 0 KJAFRN CC(C)c1noc(N2CCC(N(C)c3ncnc4c(-c5ccc(S(C)(=O)=O)cc5F)csc43)CC2)n1 ZINC000205470583 562875422 /nfs/dbraw/zinc/87/54/22/562875422.db2.gz WIZDGSAVRMPXSS-UHFFFAOYSA-N 0 0 530.651 4.513 1 0 KJAFRN O=C(Nc1cnc2[nH]c(COC(=O)c3ccc4nccnc4c3)cc2c1)c1ccccc1Br ZINC000205522784 562875480 /nfs/dbraw/zinc/87/54/80/562875480.db2.gz XWUCPEUODJQNIX-UHFFFAOYSA-N 0 0 502.328 4.878 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4cncc(-c5cnc(OC)nc5)c4)o3)nc2s1 ZINC000205701851 562875689 /nfs/dbraw/zinc/87/56/89/562875689.db2.gz KODGUPRQIASZGI-UHFFFAOYSA-N 0 0 516.539 4.661 1 0 KJAFRN O=C(NCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)n1)c1ccccc1 ZINC000205713117 562875750 /nfs/dbraw/zinc/87/57/50/562875750.db2.gz ZEPIQVOCAFUEQH-UHFFFAOYSA-N 0 0 618.698 4.853 1 0 KJAFRN CCN(c1cc(-c2ccc(CN3CCOCC3)nc2)cc(C(=O)NCc2c(=O)[nH]c(C)cc2C(C)C)c1C)C1CCOCC1 ZINC000205713785 562875712 /nfs/dbraw/zinc/87/57/12/562875712.db2.gz PJZOYUZRSBEHFT-UHFFFAOYSA-N 0 0 601.792 4.945 1 0 KJAFRN CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(-c2ccc(CN3CCOCC3)cc2)cc1N(CC)C1CCOCC1 ZINC000205714286 562875756 /nfs/dbraw/zinc/87/57/56/562875756.db2.gz DVPUNFJORMSHSM-UHFFFAOYSA-N 0 0 586.777 4.989 1 0 KJAFRN CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)c(F)c(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205718098 562875775 /nfs/dbraw/zinc/87/57/75/562875775.db2.gz MVMFNMZLRJXPHI-UHFFFAOYSA-N 0 0 590.740 4.874 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4ccnc(-c5ccnc(F)c5)n4)o3)nc2s1 ZINC000205728868 562875818 /nfs/dbraw/zinc/87/58/18/562875818.db2.gz QGDLVNWXOJELBV-UHFFFAOYSA-N 0 0 504.503 4.791 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(C5(OC)CCOCC5)n4)o3)nc2s1 ZINC000205728936 562875847 /nfs/dbraw/zinc/87/58/47/562875847.db2.gz DZAPDQOKMQDRNB-UHFFFAOYSA-N 0 0 528.612 4.909 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4cccc(C5(OC)CCOCC5)n4)o3)nc2s1 ZINC000205737099 562875869 /nfs/dbraw/zinc/87/58/69/562875869.db2.gz AOERGMCIEVXOCP-UHFFFAOYSA-N 0 0 522.583 4.847 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4nc(C5(O)CCOCC5)sc4C)o3)nc2s1 ZINC000205737306 562875858 /nfs/dbraw/zinc/87/58/58/562875858.db2.gz COZNVYCBUNSTGU-UHFFFAOYSA-N 0 0 528.612 4.563 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(C5(O)CCC6(CC5)OCCO6)n4)o3)nc2s1 ZINC000205737358 562875852 /nfs/dbraw/zinc/87/58/52/562875852.db2.gz SMSISCIMPYBOQW-UHFFFAOYSA-N 0 0 570.649 4.761 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(C5(O)CCC(=O)CC5)n4)o3)nc2s1 ZINC000205743864 562875904 /nfs/dbraw/zinc/87/59/04/562875904.db2.gz PHRYRFVFQYBEJG-UHFFFAOYSA-N 0 0 526.596 4.587 1 0 KJAFRN 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CCOc1cc(=O)n(-c2ccc(Oc3ccnc(N)c3Cl)c(F)c2)cc1C(=O)NCc1ccc(F)cc1 ZINC000205994578 562876116 /nfs/dbraw/zinc/87/61/16/562876116.db2.gz KDRZNGVQJUMBTR-UHFFFAOYSA-N 0 0 526.927 4.867 1 0 KJAFRN COc1cc(C[N@H+](C[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000206092512 562876209 /nfs/dbraw/zinc/87/62/09/562876209.db2.gz VEDDYXXOZKMNNY-VRUMLPLGSA-N 0 0 564.679 4.612 1 0 KJAFRN COc1cc(C[N@H+](C[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000206092533 562876229 /nfs/dbraw/zinc/87/62/29/562876229.db2.gz VEDDYXXOZKMNNY-DRLORSAXSA-N 0 0 564.679 4.612 1 0 KJAFRN COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000206094977 562876222 /nfs/dbraw/zinc/87/62/22/562876222.db2.gz AYJVXDFOPGRLNI-HSZRJFAPSA-N 0 0 569.449 4.867 1 0 KJAFRN COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1 ZINC000206094998 562876205 /nfs/dbraw/zinc/87/62/05/562876205.db2.gz 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/nfs/dbraw/zinc/87/65/83/562876583.db2.gz JLYPEHSSIRHXSS-DENIHFKCSA-N 0 0 511.331 4.682 1 0 KJAFRN C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]([NH3+])[C@H]1OCCC(=O)[O-] ZINC000207303085 562876715 /nfs/dbraw/zinc/87/67/15/562876715.db2.gz XBUJJWKSFWVCRV-HGPMXPCZSA-N 0 0 528.531 4.514 1 0 KJAFRN Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1N1CCc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2C1=O ZINC000207315986 562876736 /nfs/dbraw/zinc/87/67/36/562876736.db2.gz OAZCSYYZEBSICT-UHFFFAOYSA-N 0 0 644.658 4.785 1 0 KJAFRN C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@@H]1OCCC(=O)[O-] ZINC000207319014 562876722 /nfs/dbraw/zinc/87/67/22/562876722.db2.gz XBUJJWKSFWVCRV-GGJUOGQQSA-N 0 0 528.531 4.514 1 0 KJAFRN CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1ccc2c(c1)ncn2-c1ccccc1 ZINC000207739792 562876770 /nfs/dbraw/zinc/87/67/70/562876770.db2.gz WBIHCJJHQIOPFD-UHFFFAOYSA-N 0 0 502.756 4.984 1 0 KJAFRN CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1c2ccccn2nc1-c1ccccc1 ZINC000207743700 562876783 /nfs/dbraw/zinc/87/67/83/562876783.db2.gz MVXDIFSKRPFUBK-UHFFFAOYSA-N 0 0 502.756 4.960 1 0 KJAFRN O=S(=O)(c1ccc(Cl)cc1)[C@@]12CCCC3(CCS(=O)(=O)CC3)[C@@H]1COc1c(F)ccc(F)c12 ZINC000209464724 562876875 /nfs/dbraw/zinc/87/68/75/562876875.db2.gz HWLVLRSTFUBCSW-CVDCTZTESA-N 0 0 517.015 4.675 1 0 KJAFRN CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000209922585 562876943 /nfs/dbraw/zinc/87/69/43/562876943.db2.gz ORUUAQUZHRIPKH-UHFFFAOYSA-N 0 0 620.801 4.971 1 0 KJAFRN COc1ccc(NC(=O)Oc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1 ZINC000210738396 562877068 /nfs/dbraw/zinc/87/70/68/562877068.db2.gz NLGGFOFSRXUWBQ-NZQKXSOJSA-N 0 0 521.566 4.906 1 0 KJAFRN COc1cccc(NC(=O)Oc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)c1 ZINC000210749550 562877061 /nfs/dbraw/zinc/87/70/61/562877061.db2.gz FIJNDDAGXQNHAJ-NZQKXSOJSA-N 0 0 521.566 4.906 1 0 KJAFRN COc1ccccc1NC(=O)Oc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000210749625 562877043 /nfs/dbraw/zinc/87/70/43/562877043.db2.gz BCLMDGOLDNZFPR-LEWJYISDSA-N 0 0 521.566 4.906 1 0 KJAFRN COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)NCc3ccccc3)c(OC)c2)cc1OC ZINC000210749662 562877044 /nfs/dbraw/zinc/87/70/44/562877044.db2.gz ZDOSJBBCUKEVAY-XZOQPEGZSA-N 0 0 505.567 4.575 1 0 KJAFRN COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)NCCc3ccccc3)c(OC)c2)cc1OC ZINC000210761514 562877047 /nfs/dbraw/zinc/87/70/47/562877047.db2.gz ODOBMXNOZIWMFQ-BJKOFHAPSA-N 0 0 519.594 4.618 1 0 KJAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3-c3ccccc3)C[C@@]12C ZINC000211226490 562877054 /nfs/dbraw/zinc/87/70/54/562877054.db2.gz KJGYTGJKTVVSGO-MGRBCCQOSA-N 0 0 508.567 4.667 1 0 KJAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3-c3ccc(OC)cc3)C[C@@]12C ZINC000211226577 562877052 /nfs/dbraw/zinc/87/70/52/562877052.db2.gz UMOPSCUQMFUMNK-SZMQIRGCSA-N 0 0 538.593 4.676 1 0 KJAFRN COc1cc(F)c(CN2C(=O)N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000211280841 562877077 /nfs/dbraw/zinc/87/70/77/562877077.db2.gz ARZIDKSCLITHPX-UHFFFAOYSA-N 0 0 506.939 4.840 1 0 KJAFRN CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCc3ccc(I)cc3)n2)cc1 ZINC000211344056 562877088 /nfs/dbraw/zinc/87/70/88/562877088.db2.gz RMGDLMHHJZVGLT-UHFFFAOYSA-N 0 0 534.297 4.750 1 0 KJAFRN [NH3+]Cc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(NC(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000211357795 562877070 /nfs/dbraw/zinc/87/70/70/562877070.db2.gz DLJGXHOBVHKHQR-UHFFFAOYSA-N 0 0 502.477 4.688 1 0 KJAFRN CC(=O)Nc1cccc(Oc2nc3c(-c4ccc(C(=O)NC5CC5)c(C)c4)cnn3c(NCC3CCOCC3)n2)c1 ZINC000213631955 562877248 /nfs/dbraw/zinc/87/72/48/562877248.db2.gz OECLKEUZAQNLIZ-UHFFFAOYSA-N 0 0 555.639 4.581 1 0 KJAFRN Cc1ccc(N2C(=O)[C@H](CCCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@H]2c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000213960255 562877282 /nfs/dbraw/zinc/87/72/82/562877282.db2.gz BPQBVTFHIHPXKR-JWQCQUIFSA-N 0 0 611.664 4.728 1 0 KJAFRN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c(C)c1C(=O)N1CCN(C)CC1 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ZINC000221592983 562879088 /nfs/dbraw/zinc/87/90/88/562879088.db2.gz JIOUTSFXQKPYDT-DNQXCXABSA-N 0 0 564.129 4.849 1 0 KJAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cnc(C)s3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000221593032 562879095 /nfs/dbraw/zinc/87/90/95/562879095.db2.gz JIOUTSFXQKPYDT-RPWUZVMVSA-N 0 0 564.129 4.849 1 0 KJAFRN CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221604833 562879082 /nfs/dbraw/zinc/87/90/82/562879082.db2.gz RXEXUJNNVPOWGW-HWBMXIPRSA-N 0 0 511.347 4.903 1 0 KJAFRN Cc1[nH]c(C=C2C(=O)Nc3ccc(-c4c[nH]c(-c5ccccc5)n4)cc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221776572 562879219 /nfs/dbraw/zinc/87/92/19/562879219.db2.gz RJHUKULOQZOAIA-KQWNVCNZSA-N 0 0 506.610 4.569 1 0 KJAFRN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4nnc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221842566 562879260 /nfs/dbraw/zinc/87/92/60/562879260.db2.gz FEXXIXITPXJPRC-JWGURIENSA-N 0 0 524.650 4.697 1 0 KJAFRN Cc1cc(-c2cnn3c2nc(Oc2cccc(F)c2F)nc3NCC2CCOCC2)ccc1C(=O)NC1CC1 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562886315 /nfs/dbraw/zinc/88/63/15/562886315.db2.gz ALSLXPQRBAMAPF-MDZDMXLPSA-N 0 0 506.378 4.758 1 0 KJAFRN Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCN(c5ccccc5Cl)CC4)CC3)nc2-c2ccc(C)cc2)cc1 ZINC000299834458 562886454 /nfs/dbraw/zinc/88/64/54/562886454.db2.gz JGWNRJKGRFWQBT-UHFFFAOYSA-N 0 0 582.152 4.947 1 0 KJAFRN O=C(Cc1ccc(F)cc1)Nc1cc([C@H]2CN(C(=O)C[C@@H](O)Cc3ccc(Cl)cc3)C[C@@H]2CO)ccc1Cl ZINC000299834484 562886444 /nfs/dbraw/zinc/88/64/44/562886444.db2.gz LMARVLAZWJAMGJ-IEZKXTBUSA-N 0 0 559.465 4.842 1 0 KJAFRN COc1ccc(COC[C@H](C)N2C[C@@H](C)[C@H](CN(C)S(=O)(=O)c3ccc(F)cc3)OCCCC[C@H](C)OCCC2=O)cc1 ZINC000299834551 562886489 /nfs/dbraw/zinc/88/64/89/562886489.db2.gz JTUVOFSMVUNDIH-OLHJXYGRSA-N 0 0 622.800 4.889 1 0 KJAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21 ZINC000299834557 562886495 /nfs/dbraw/zinc/88/64/95/562886495.db2.gz YZDRWQWIIDNXGA-UHFFFAOYSA-N 0 0 504.472 4.834 1 0 KJAFRN 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562890856 /nfs/dbraw/zinc/89/08/56/562890856.db2.gz OIMQRVNFJOBBFR-IBGZPJMESA-N 0 0 527.000 4.693 1 0 KJAFRN O=C(Nc1c(F)cccc1Cl)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC[C@H]1CCCO1 ZINC000299852163 562890841 /nfs/dbraw/zinc/89/08/41/562890841.db2.gz OIMQRVNFJOBBFR-LJQANCHMSA-N 0 0 527.000 4.693 1 0 KJAFRN Nc1nccc(-c2cn(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ccc(Br)cc23)n1 ZINC000299852667 562890960 /nfs/dbraw/zinc/89/09/60/562890960.db2.gz VZKKISBRENBCCV-UHFFFAOYSA-N 0 0 513.295 4.579 1 0 KJAFRN CCOP(=O)(OCC)[C@H](O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1Cl ZINC000299852735 562890958 /nfs/dbraw/zinc/89/09/58/562890958.db2.gz WVMDWNBABKMWIG-GGHZGINBSA-N 0 0 616.092 4.501 1 0 KJAFRN CCOP(=O)(OCC)[C@@H](O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1Cl ZINC000299852736 562890981 /nfs/dbraw/zinc/89/09/81/562890981.db2.gz WVMDWNBABKMWIG-VETGKBFTSA-N 0 0 616.092 4.501 1 0 KJAFRN CCOP(=O)(OCC)[C@@H](O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OCc1cccc(Br)c1 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CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(Cl)cc3)ccc21 ZINC000299856534 562891944 /nfs/dbraw/zinc/89/19/44/562891944.db2.gz CROWVEKUOCYWCS-UHFFFAOYSA-N 0 0 536.995 4.866 1 0 KJAFRN COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299856662 562891974 /nfs/dbraw/zinc/89/19/74/562891974.db2.gz DBVZGVUNEPMRFA-DEOSSOPVSA-N 0 0 579.675 4.908 1 0 KJAFRN COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299856663 562892005 /nfs/dbraw/zinc/89/20/05/562892005.db2.gz DBVZGVUNEPMRFA-XMMPIXPASA-N 0 0 579.675 4.908 1 0 KJAFRN CCOC(=O)c1nc(N(C(=O)c2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)nc2nn(C)cc21 ZINC000299856843 562892013 /nfs/dbraw/zinc/89/20/13/562892013.db2.gz CHJWVVPHWBGCQC-UHFFFAOYSA-N 0 0 587.228 4.552 1 0 KJAFRN CCCS(=O)(=O)N1N=C(c2ccc(OC)c3c2OC(C)(C)C=C3)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299857212 562892120 /nfs/dbraw/zinc/89/21/20/562892120.db2.gz DWYRCOWMLAWRAJ-NRFANRHFSA-N 0 0 530.643 4.796 1 0 KJAFRN CCCS(=O)(=O)N1N=C(c2ccc(OC)c3c2OC(C)(C)C=C3)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299857214 562892133 /nfs/dbraw/zinc/89/21/33/562892133.db2.gz DWYRCOWMLAWRAJ-OAQYLSRUSA-N 0 0 530.643 4.796 1 0 KJAFRN O=C(N1CCC(N2C(=O)NC(=O)[C@H]2c2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000299857275 562892111 /nfs/dbraw/zinc/89/21/11/562892111.db2.gz FDOTWXVAZTUIPV-NIPBSARRSA-N 0 0 628.751 4.803 1 0 KJAFRN O=C(N1CCC(N2C(=O)NC(=O)[C@@H]2c2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000299857277 562892127 /nfs/dbraw/zinc/89/21/27/562892127.db2.gz FDOTWXVAZTUIPV-QROLUOGNSA-N 0 0 628.751 4.803 1 0 KJAFRN CCOc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000299857400 562892234 /nfs/dbraw/zinc/89/22/34/562892234.db2.gz CTKBVDQIMXABQM-JOCHJYFZSA-N 0 0 504.539 4.831 1 0 KJAFRN CCOc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000299857401 562892258 /nfs/dbraw/zinc/89/22/58/562892258.db2.gz CTKBVDQIMXABQM-QFIPXVFZSA-N 0 0 504.539 4.831 1 0 KJAFRN COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(-c5ccccc5)cnc4Cl)nn3)C2)cc(OC)c1OC ZINC000299857584 562892263 /nfs/dbraw/zinc/89/22/63/562892263.db2.gz FNPHGHXMYWDDJI-HSZRJFAPSA-N 0 0 550.015 4.777 1 0 KJAFRN COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(-c5ccccc5)cnc4Cl)nn3)C2)cc(OC)c1OC ZINC000299857586 562892273 /nfs/dbraw/zinc/89/22/73/562892273.db2.gz FNPHGHXMYWDDJI-QHCPKHFHSA-N 0 0 550.015 4.777 1 0 KJAFRN COc1cc(CN2c3ccc(Cl)cc3[C@@]3(C2=O)c2c(n[nH]c2-c2ccccc2)N=C2COC(=O)C23)cc(OC)c1OC ZINC000299857823 562892321 /nfs/dbraw/zinc/89/23/21/562892321.db2.gz DBOIARYOZFJDRK-HKBQPEDESA-N 0 0 585.016 4.825 1 0 KJAFRN COc1cc(CN2c3ccc(Cl)cc3[C@]3(C2=O)c2c(n[nH]c2-c2ccccc2)N=C2COC(=O)C23)cc(OC)c1OC ZINC000299857824 562892329 /nfs/dbraw/zinc/89/23/29/562892329.db2.gz DBOIARYOZFJDRK-WJOKGBTCSA-N 0 0 585.016 4.825 1 0 KJAFRN CCC(=O)N1CCC[C@@H](CN2c3ccccc3N(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)S2(=O)=O)C1 ZINC000299857843 562892319 /nfs/dbraw/zinc/89/23/19/562892319.db2.gz DDDHADFRCAXJBQ-GOSISDBHSA-N 0 0 579.563 4.719 1 0 KJAFRN CCC(=O)N1CCC[C@H](CN2c3ccccc3N(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)S2(=O)=O)C1 ZINC000299857844 562892307 /nfs/dbraw/zinc/89/23/07/562892307.db2.gz DDDHADFRCAXJBQ-SFHVURJKSA-N 0 0 579.563 4.719 1 0 KJAFRN CCc1ccc(C(=O)Nc2cccc(-c3cn(C)c(=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)cc1 ZINC000299857890 562892364 /nfs/dbraw/zinc/89/23/64/562892364.db2.gz DGCGTIPVYZSXQO-UHFFFAOYSA-N 0 0 551.647 4.786 1 0 KJAFRN O=C(NCCc1ccncc1)C1CCN(c2cc(=O)n(Cc3ccc(Cl)cc3)c3ccccc32)CC1 ZINC000299858112 562892383 /nfs/dbraw/zinc/89/23/83/562892383.db2.gz QNHMGHPNVSMSNQ-UHFFFAOYSA-N 0 0 501.030 4.674 1 0 KJAFRN O=C(N1CC=C(c2cc3c(ncnc3-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)[nH]2)CC1)N1CCOCC1 ZINC000299858238 562892394 /nfs/dbraw/zinc/89/23/94/562892394.db2.gz DMAUZCZUHODWQM-UHFFFAOYSA-N 0 0 620.685 4.979 1 0 KJAFRN CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1 ZINC000299858245 562892421 /nfs/dbraw/zinc/89/24/21/562892421.db2.gz DMVIAESDBQLZHT-UHFFFAOYSA-N 0 0 507.612 4.972 1 0 KJAFRN CNC(=O)N1CC=C(c2cc3c(ncnc3-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)[nH]2)CC1 ZINC000299858581 562892492 /nfs/dbraw/zinc/89/24/92/562892492.db2.gz DVWNCKDRLHFAJV-UHFFFAOYSA-N 0 0 564.621 4.866 1 0 KJAFRN CCOC(=O)c1sc2ccc(NCc3c[nH]cn3)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000299858592 562892513 /nfs/dbraw/zinc/89/25/13/562892513.db2.gz DWLKFSVLARFJQE-UHFFFAOYSA-N 0 0 510.572 4.691 1 0 KJAFRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C ZINC000299858897 562892575 /nfs/dbraw/zinc/89/25/75/562892575.db2.gz FCBHDSLDRNWTJS-UHFFFAOYSA-N 0 0 502.618 4.847 1 0 KJAFRN O=C1OCC2=Nc3n[nH]c(-c4ccccc4)c3[C@@]3(c4cc(Br)ccc4N(Cc4ccccc4)C3=O)C12 ZINC000299858937 562892570 /nfs/dbraw/zinc/89/25/70/562892570.db2.gz FGECRRJNAWXVJP-MUUNZHRXSA-N 0 0 539.389 4.909 1 0 KJAFRN O=C1OCC2=Nc3n[nH]c(-c4ccccc4)c3[C@]3(c4cc(Br)ccc4N(Cc4ccccc4)C3=O)C12 ZINC000299858938 562892558 /nfs/dbraw/zinc/89/25/58/562892558.db2.gz FGECRRJNAWXVJP-NDEPHWFRSA-N 0 0 539.389 4.909 1 0 KJAFRN COc1cc2oc(-c3ccc(OC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000299859194 562892650 /nfs/dbraw/zinc/89/26/50/562892650.db2.gz FJZXVHORWNHJFF-UHFFFAOYSA-N 0 0 530.577 4.802 1 0 KJAFRN CC(=O)N1CCC(C(=O)N(CCCN2CCN(C(=O)c3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299859445 562892750 /nfs/dbraw/zinc/89/27/50/562892750.db2.gz XPECTIYHOMHYFI-QFIPXVFZSA-N 0 0 557.110 4.616 1 0 KJAFRN Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cc3)CC1)N(CC(=O)c1ccc(Cl)cc1)C(=O)CO2 ZINC000299859517 562892733 /nfs/dbraw/zinc/89/27/33/562892733.db2.gz IBJQFGXMDUUVGZ-UHFFFAOYSA-N 0 0 608.038 4.786 1 0 KJAFRN Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)NCCN3CCOCC3)n2)c1 ZINC000299859527 562892754 /nfs/dbraw/zinc/89/27/54/562892754.db2.gz FVGKCEGGUGMHPM-UHFFFAOYSA-N 0 0 628.673 4.760 1 0 KJAFRN COc1cc(COCc2cn(Cc3cc(-c4ccccc4)cnc3N3CCSCC3)nn2)cc(OC)c1OC ZINC000299859557 562892775 /nfs/dbraw/zinc/89/27/75/562892775.db2.gz IFSSMYAHCRNHSK-UHFFFAOYSA-N 0 0 547.681 4.684 1 0 KJAFRN COc1cc2[nH]c(C(=O)C(=O)N3CCN(c4ccccn4)CC3)c(-c3ccc(Br)cc3)c2c(OC)c1 ZINC000299859919 562892841 /nfs/dbraw/zinc/89/28/41/562892841.db2.gz GDPVIQCFOZPYSR-UHFFFAOYSA-N 0 0 549.425 4.541 1 0 KJAFRN CCOC(=O)c1sc2ccc(NCc3[nH]cnc3C)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000299859995 562892861 /nfs/dbraw/zinc/89/28/61/562892861.db2.gz GFVOTLAAEIUHNW-UHFFFAOYSA-N 0 0 524.599 5.000 1 0 KJAFRN CCC(CC)[C@H](C(N)=O)[C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000299860055 562892910 /nfs/dbraw/zinc/89/29/10/562892910.db2.gz GKQMFTFKNTUDIV-RWCIVJTCSA-N 0 0 504.675 4.533 1 0 KJAFRN COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(-c5ccccc5)cnc4N4CCSCC4)nn3)C2)cc(OC)c1OC ZINC000299860300 562892897 /nfs/dbraw/zinc/89/28/97/562892897.db2.gz JAGCWHRVGNMNBC-HHHXNRCGSA-N 0 0 616.744 4.677 1 0 KJAFRN COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(-c5ccccc5)cnc4N4CCSCC4)nn3)C2)cc(OC)c1OC ZINC000299860303 562892915 /nfs/dbraw/zinc/89/29/15/562892915.db2.gz JAGCWHRVGNMNBC-MHZLTWQESA-N 0 0 616.744 4.677 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCC(=O)OCCCCC[C@@H]1CC=CC(=O)O1)CC2 ZINC000299860708 562893045 /nfs/dbraw/zinc/89/30/45/562893045.db2.gz GZQYYJYODXUHGZ-BVAGGSTKSA-N 0 0 637.726 4.997 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCC(=O)OCCCCC[C@H]1CC=CC(=O)O1)CC2 ZINC000299860711 562893016 /nfs/dbraw/zinc/89/30/16/562893016.db2.gz GZQYYJYODXUHGZ-OZXSUGGESA-N 0 0 637.726 4.997 1 0 KJAFRN CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1 ZINC000299861084 562893192 /nfs/dbraw/zinc/89/31/92/562893192.db2.gz HTFXBFQTZJSOMM-AFEGWXKPSA-N 0 0 717.887 4.795 1 0 KJAFRN Cc1ccc(C(=O)Nc2cccc(-c3cn(C)c(=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)cc1 ZINC000299861089 562893193 /nfs/dbraw/zinc/89/31/93/562893193.db2.gz HTKNUBQMFOLYMW-UHFFFAOYSA-N 0 0 537.620 4.532 1 0 KJAFRN NC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCN(C(=O)c1ccccc1)C2 ZINC000299861216 562893275 /nfs/dbraw/zinc/89/32/75/562893275.db2.gz HWMIDZUYOOWAFU-UHFFFAOYSA-N 0 0 511.603 4.877 1 0 KJAFRN Nn1c(SC[C@@](O)(Cn2cncn2)c2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000299861695 562893406 /nfs/dbraw/zinc/89/34/06/562893406.db2.gz IQFVZJLUXGAWDG-IBGZPJMESA-N 0 0 531.256 4.544 1 0 KJAFRN Nn1c(SC[C@](O)(Cn2cncn2)c2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000299861697 562893417 /nfs/dbraw/zinc/89/34/17/562893417.db2.gz IQFVZJLUXGAWDG-LJQANCHMSA-N 0 0 531.256 4.544 1 0 KJAFRN COc1ccc(C2=NN(S(=O)(=O)C3CC3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299861745 562893401 /nfs/dbraw/zinc/89/34/01/562893401.db2.gz LYVGWVZHVVFLIV-NRFANRHFSA-N 0 0 528.627 4.549 1 0 KJAFRN COc1ccc(C2=NN(S(=O)(=O)C3CC3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299861747 562893430 /nfs/dbraw/zinc/89/34/30/562893430.db2.gz LYVGWVZHVVFLIV-OAQYLSRUSA-N 0 0 528.627 4.549 1 0 KJAFRN O=C(N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000299862277 562893557 /nfs/dbraw/zinc/89/35/57/562893557.db2.gz MYEFSEBVWCWJNA-BPYJCOKXSA-N 0 0 642.778 4.673 1 0 KJAFRN O=C(N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000299862278 562893581 /nfs/dbraw/zinc/89/35/81/562893581.db2.gz MYEFSEBVWCWJNA-QYAWHBOLSA-N 0 0 642.778 4.673 1 0 KJAFRN COc1cc2c(cc1OCCCF)nncc2-c1cnc(N2CCC(O)(c3ccc(F)nc3)CC2)c(C)c1 ZINC000299862393 562893561 /nfs/dbraw/zinc/89/35/61/562893561.db2.gz JPCRPSMXKLVKRH-UHFFFAOYSA-N 0 0 521.568 4.769 1 0 KJAFRN O=C1N(Cc2ccc3c(c2)OCO3)c2ccc(Cl)cc2[C@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[nH]c(=O)c12 ZINC000299862461 562893555 /nfs/dbraw/zinc/89/35/55/562893555.db2.gz JRJBTGUEFHFAGW-GDLZYMKVSA-N 0 0 566.961 4.598 1 0 KJAFRN O=C1N(Cc2ccc3c(c2)OCO3)c2ccc(Cl)cc2[C@@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[nH]c(=O)c12 ZINC000299862464 562893567 /nfs/dbraw/zinc/89/35/67/562893567.db2.gz JRJBTGUEFHFAGW-LJAQVGFWSA-N 0 0 566.961 4.598 1 0 KJAFRN O=C(NC[C@H]1CN(c2ccc(-n3c(CN4CCOCC4)cc4ccccc43)cc2)C(=O)O1)c1ccc(Cl)s1 ZINC000299862680 562893643 /nfs/dbraw/zinc/89/36/43/562893643.db2.gz NNWKFHZISZUYFL-QHCPKHFHSA-N 0 0 551.068 4.933 1 0 KJAFRN O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[nH]c(=O)c12 ZINC000299863054 562893756 /nfs/dbraw/zinc/89/37/56/562893756.db2.gz KMINFEHWIFIVFA-MUUNZHRXSA-N 0 0 522.952 4.870 1 0 KJAFRN O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[nH]c(=O)c12 ZINC000299863055 562893777 /nfs/dbraw/zinc/89/37/77/562893777.db2.gz KMINFEHWIFIVFA-NDEPHWFRSA-N 0 0 522.952 4.870 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccccc3C)ccc21 ZINC000299863183 562893816 /nfs/dbraw/zinc/89/38/16/562893816.db2.gz OTENLGUOGPNQJN-UHFFFAOYSA-N 0 0 516.577 4.521 1 0 KJAFRN O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[nH]c(=O)c12 ZINC000299863625 562893879 /nfs/dbraw/zinc/89/38/79/562893879.db2.gz LGSPTBJLKXQXDE-MUUNZHRXSA-N 0 0 567.403 4.979 1 0 KJAFRN O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[nH]c(=O)c12 ZINC000299863626 562893867 /nfs/dbraw/zinc/89/38/67/562893867.db2.gz LGSPTBJLKXQXDE-NDEPHWFRSA-N 0 0 567.403 4.979 1 0 KJAFRN COc1cc([C@@H]2C[C@@H](COCc3cn(Cc4cc(-c5ccc(F)cc5)cnc4Cl)nn3)ON2C=O)cc(OC)c1OC ZINC000299863667 562893869 /nfs/dbraw/zinc/89/38/69/562893869.db2.gz PNLWFTROMYQZFZ-DQEYMECFSA-N 0 0 598.031 4.627 1 0 KJAFRN COc1cc([C@H]2C[C@H](COCc3cn(Cc4cc(-c5ccc(F)cc5)cnc4Cl)nn3)ON2C=O)cc(OC)c1OC ZINC000299863670 562893866 /nfs/dbraw/zinc/89/38/66/562893866.db2.gz PNLWFTROMYQZFZ-JWQCQUIFSA-N 0 0 598.031 4.627 1 0 KJAFRN COc1cc([C@H]2C[C@@H](COCc3cn(Cc4cc(-c5ccc(F)cc5)cnc4Cl)nn3)ON2C=O)cc(OC)c1OC ZINC000299863672 562893877 /nfs/dbraw/zinc/89/38/77/562893877.db2.gz PNLWFTROMYQZFZ-LOSJGSFVSA-N 0 0 598.031 4.627 1 0 KJAFRN COc1cc([C@@H]2C[C@H](COCc3cn(Cc4cc(-c5ccc(F)cc5)cnc4Cl)nn3)ON2C=O)cc(OC)c1OC ZINC000299863674 562893896 /nfs/dbraw/zinc/89/38/96/562893896.db2.gz PNLWFTROMYQZFZ-RPBOFIJWSA-N 0 0 598.031 4.627 1 0 KJAFRN COc1ccc2c(c1)OC[C@H](C(=O)NC(=O)N(CC(=O)NCCCCCCNC(=O)c1ccc(-c3n[nH]c4ccccc43)cc1)CC(C)C)O2 ZINC000299864305 562894090 /nfs/dbraw/zinc/89/40/90/562894090.db2.gz MBZXMVKLFZXZRB-JGCGQSQUSA-N 0 0 684.794 4.679 1 0 KJAFRN COc1ccc2c(c1)OC[C@@H](C(=O)NC(=O)N(CC(=O)NCCCCCCNC(=O)c1ccc(-c3n[nH]c4ccccc43)cc1)CC(C)C)O2 ZINC000299864306 562894066 /nfs/dbraw/zinc/89/40/66/562894066.db2.gz MBZXMVKLFZXZRB-YTTGMZPUSA-N 0 0 684.794 4.679 1 0 KJAFRN COc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299864576 562894131 /nfs/dbraw/zinc/89/41/31/562894131.db2.gz MNGSUEAGKOESDC-DEOSSOPVSA-N 0 0 706.760 4.969 1 0 KJAFRN COc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299864577 562894152 /nfs/dbraw/zinc/89/41/52/562894152.db2.gz MNGSUEAGKOESDC-XMMPIXPASA-N 0 0 706.760 4.969 1 0 KJAFRN COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccccc5)cnc4N4CCOCC4)nn3)on2)cc(OC)c1OC ZINC000299865056 562894302 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562895206 /nfs/dbraw/zinc/89/52/06/562895206.db2.gz SQRUDVQTSIEPIT-UHFFFAOYSA-N 0 0 516.442 4.686 1 0 KJAFRN CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000299869675 562895374 /nfs/dbraw/zinc/89/53/74/562895374.db2.gz VCBCFZQRTPPAPG-BEOMBHOOSA-N 0 0 744.930 4.722 1 0 KJAFRN COc1cc2oc(-c3cccc(OC(=O)N4CCN(Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000299869873 562895381 /nfs/dbraw/zinc/89/53/81/562895381.db2.gz VNYJQDGWKMJGHL-UHFFFAOYSA-N 0 0 530.577 4.802 1 0 KJAFRN COC(=O)c1ccc(NC(=O)CN2CCC(Nc3cc(Oc4c(C)cc(C)cc4C)n4ncnc4n3)CC2)c(Cl)c1 ZINC000299870138 562895453 /nfs/dbraw/zinc/89/54/53/562895453.db2.gz VXEZNYZELNSMMB-UHFFFAOYSA-N 0 0 578.073 4.797 1 0 KJAFRN COc1ccc2c(c1OC(=O)NCc1ccccc1)C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C ZINC000299870319 562895484 /nfs/dbraw/zinc/89/54/84/562895484.db2.gz WCGDWMYEODQDMA-PKTZIBPZSA-N 0 0 611.445 4.924 1 0 KJAFRN O=C1N(Cc2ccc3c(c2)OCC3)c2ccc(Br)cc2[C@@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[nH]c(=O)c12 ZINC000299870938 562895594 /nfs/dbraw/zinc/89/55/94/562895594.db2.gz XGCDHCJKHKPVSD-PMERELPUSA-N 0 0 609.440 4.914 1 0 KJAFRN O=C1N(Cc2ccc3c(c2)OCC3)c2ccc(Br)cc2[C@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[nH]c(=O)c12 ZINC000299870939 562895592 /nfs/dbraw/zinc/89/55/92/562895592.db2.gz XGCDHCJKHKPVSD-SSEXGKCCSA-N 0 0 609.440 4.914 1 0 KJAFRN [NH3+]Cc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000299870949 562895585 /nfs/dbraw/zinc/89/55/85/562895585.db2.gz XGQPKOMRSPKVIF-UHFFFAOYSA-N 0 0 502.477 4.688 1 0 KJAFRN Cn1ccc(-c2cc3c(ncnc3-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)[nH]2)n1 ZINC000299871258 562895708 /nfs/dbraw/zinc/89/57/08/562895708.db2.gz YFJJCCMQBJCZCP-UHFFFAOYSA-N 0 0 506.541 4.838 1 0 KJAFRN O=C(Cn1cc(CN(c2nc3ccccc3s2)c2ncccn2)nn1)Nc1cccc(C(F)(F)F)c1 ZINC000299871442 562895704 /nfs/dbraw/zinc/89/57/04/562895704.db2.gz YOEUITGLUZSNJW-UHFFFAOYSA-N 0 0 510.505 4.674 1 0 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O=NC=C1CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)[N+]2C1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000377853481 562896545 /nfs/dbraw/zinc/89/65/45/562896545.db2.gz LXRQRSDTQAOMPX-UIWYYOOWSA-N 0 0 533.631 4.712 1 0 KJAFRN C[C@@H](N1Cc2cc(-c3ccc(Cl)cc3)sc2C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000473081332 562896599 /nfs/dbraw/zinc/89/65/99/562896599.db2.gz CDVNBJFSVLRKPB-JBEBIEQOSA-N 0 0 500.958 4.871 1 0 KJAFRN C/C1=C\[C@@H]2[C@H](CC[C@@](C)(O)[C@H](O)[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000473081631 562896638 /nfs/dbraw/zinc/89/66/38/562896638.db2.gz CROLTTNZKYURJG-FWOUTIIISA-N 0 0 562.703 4.949 1 0 KJAFRN CO[C@H]1[C@@H]2[C@H](CC[C@]3(COC(=O)c4ccccc4)O[C@@H]3[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)C(=O)[C@@H]1C)C2(C)C ZINC000473081772 562896641 /nfs/dbraw/zinc/89/66/41/562896641.db2.gz DEWMGOILQPDSAQ-SFOAQOJCSA-N 0 0 590.713 4.880 1 0 KJAFRN CN1CCN(C(=O)CCSCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@@H](c2ccccc2)C1 ZINC000473081799 562896643 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O=C1N(Cc2ccccc2Br)c2cccn2S(=O)(=O)N1Cc1cccc(Br)c1 ZINC000473082996 562896755 /nfs/dbraw/zinc/89/67/55/562896755.db2.gz MAQCGOJLWZBCOR-UHFFFAOYSA-N 0 0 525.222 4.748 1 0 KJAFRN COc1ccc(-n2ncc3c2CCc2cc(S(=O)(=O)c4ccccc4)c(=O)n(Cc4ccccc4)c2-3)cc1 ZINC000473083190 562896777 /nfs/dbraw/zinc/89/67/77/562896777.db2.gz NCIXQYGYPVOQKH-UHFFFAOYSA-N 0 0 523.614 4.689 1 0 KJAFRN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCC[NH+]2CCN(C)CC2)COC1=O ZINC000473083227 562896784 /nfs/dbraw/zinc/89/67/84/562896784.db2.gz BCHWQHLSQBJHAS-DEICMYPCSA-N 0 0 722.832 4.881 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)Nc3ccc(F)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000473083501 562896802 /nfs/dbraw/zinc/89/68/02/562896802.db2.gz OGULNPXENKBPJN-QNMIOERPSA-N 0 0 566.607 4.543 1 0 KJAFRN C[C@@H](N1Cc2cc(-c3cccc(Cl)c3)sc2C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000473083571 562896825 /nfs/dbraw/zinc/89/68/25/562896825.db2.gz ONJUQENBAMXMTE-JBEBIEQOSA-N 0 0 500.958 4.871 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)Nc3cccc(F)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000473083625 562896848 /nfs/dbraw/zinc/89/68/48/562896848.db2.gz OUAMYNNCQSOAQP-QNMIOERPSA-N 0 0 566.607 4.543 1 0 KJAFRN CC1=CC[C@@H](OC(=O)c2cccnc2)[C@H]2[C@@]3(C)CC[C@@]4(COC(=O)C4)O[C@@]3(C)C[C@H](OC(=O)c3cccnc3)[C@@]12C ZINC000473084549 562896919 /nfs/dbraw/zinc/89/69/19/562896919.db2.gz RMUMYPCVRDNJEB-JIUNCBMRSA-N 0 0 560.647 4.865 1 0 KJAFRN CC1=CC[C@@H](OC(=O)c2cccnc2)[C@@H]2[C@@]3(C)CC[C@@]4(COC(=O)C4)O[C@@]3(C)C[C@H](OC(=O)c3cccnc3)[C@@]12C ZINC000473084550 562896908 /nfs/dbraw/zinc/89/69/08/562896908.db2.gz RMUMYPCVRDNJEB-NJSKEHLZSA-N 0 0 560.647 4.865 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)Nc3ccccc3F)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000473085211 562896956 /nfs/dbraw/zinc/89/69/56/562896956.db2.gz VVEOECKBKMKPCD-JHOAZWNMSA-N 0 0 566.607 4.543 1 0 KJAFRN CCC(=O)O[C@H]1[C@@H]2C[C@]3(OC2(C)C)[C@H](C)CC[C@H](OC(C)=O)[C@@]3(COC(=O)c2cccnc2)[C@@H]1OC(=O)c1ccccc1 ZINC000473085273 562896955 /nfs/dbraw/zinc/89/69/55/562896955.db2.gz WFVPHNOLLBJJSV-NGNPVNGKSA-N 0 0 593.673 4.701 1 0 KJAFRN CC(C)n1[nH]c(=NC(=O)[C@H]2C[C@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@@H]3C2)c1 ZINC000473085504 562896965 /nfs/dbraw/zinc/89/69/65/562896965.db2.gz XBIFCTLXILYDKJ-BWCXSUDRSA-N 0 0 566.077 4.788 1 0 KJAFRN CC(C)n1[nH]c(=NC(=O)[C@H]2C[C@@H](O)C2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@@H]3C2)c1 ZINC000473085505 562896957 /nfs/dbraw/zinc/89/69/57/562896957.db2.gz XBIFCTLXILYDKJ-MAOYLDMRSA-N 0 0 566.077 4.788 1 0 KJAFRN O=C(C[C@@]1(O)c2cccc(Br)c2-n2c1nc1ccccc1c2=O)c1ccc(Br)cc1 ZINC000473086000 562897032 /nfs/dbraw/zinc/89/70/32/562897032.db2.gz ZUTXWZOTTUIGQU-HSZRJFAPSA-N 0 0 526.184 4.733 1 0 KJAFRN O=C(C[C@]1(O)c2cccc(Br)c2-n2c1nc1ccccc1c2=O)c1ccc(Br)cc1 ZINC000473086005 562897015 /nfs/dbraw/zinc/89/70/15/562897015.db2.gz ZUTXWZOTTUIGQU-QHCPKHFHSA-N 0 0 526.184 4.733 1 0 KJAFRN CC(C)(NC(=O)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)c2C1)C12CC(C1)C2 ZINC000473086067 562897002 /nfs/dbraw/zinc/89/70/02/562897002.db2.gz AKAZEBAQKVQRNQ-UHFFFAOYSA-N 0 0 542.471 4.742 1 0 KJAFRN O=C(N[C@H](c1ccccc1)[C@H](O)C(=O)OCCCNc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000473087439 562897181 /nfs/dbraw/zinc/89/71/81/562897181.db2.gz FLNRLXKRYFJZJQ-FTJBHMTQSA-N 0 0 503.986 4.766 1 0 KJAFRN CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cncc(-c4ccc(S(C)(=O)=O)cc4)n3)c2)no1 ZINC000473087867 562897229 /nfs/dbraw/zinc/89/72/29/562897229.db2.gz MAGVRNDWTTZRHB-UHFFFAOYSA-N 0 0 507.572 4.691 1 0 KJAFRN COc1cc(OC)c(C(=O)N2C(=O)C(c3ccc(OC)c(OC)c3)=C(c3ccc(OC)c(OC)c3)C2=O)cc1Br ZINC000473088063 562897261 /nfs/dbraw/zinc/89/72/61/562897261.db2.gz HTCPEAGZVHKZBH-UHFFFAOYSA-N 0 0 612.429 4.621 1 0 KJAFRN c1csc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4cccs4)nc4ncccn34)CC2)c1 ZINC000473089020 562897403 /nfs/dbraw/zinc/89/74/03/562897403.db2.gz QKCBTCPINDAUMN-UHFFFAOYSA-N 0 0 512.668 4.547 1 0 KJAFRN O=C(Cc1ccc(Br)cc1)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F ZINC000473090069 562897475 /nfs/dbraw/zinc/89/74/75/562897475.db2.gz URVIVQRVRQJWEN-GOSISDBHSA-N 0 0 521.127 4.597 1 0 KJAFRN O=C(Cc1ccc(Br)cc1)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F ZINC000473090070 562897477 /nfs/dbraw/zinc/89/74/77/562897477.db2.gz URVIVQRVRQJWEN-SFHVURJKSA-N 0 0 521.127 4.597 1 0 KJAFRN Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC2CC2)cc1C(=O)C(C)C ZINC000473091521 562897689 /nfs/dbraw/zinc/89/76/89/562897689.db2.gz QVPNCVHAYLGQMS-UHFFFAOYSA-N 0 0 547.081 4.643 1 0 KJAFRN CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 ZINC000473096983 562897909 /nfs/dbraw/zinc/89/79/09/562897909.db2.gz BNTSNMJYSXZFFU-RBJSKKJNSA-N 0 0 552.675 4.852 1 0 KJAFRN CNC(=O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)c5cccc(Cl)c5)cc4)csc32)cn1 ZINC000473097012 562897887 /nfs/dbraw/zinc/89/78/87/562897887.db2.gz CRRNBRGZQBQNCD-UHFFFAOYSA-N 0 0 517.014 4.891 1 0 KJAFRN COc1cc(-c2cn([C@@H]3CCc4ccccc4N(Cc4cccnc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473098020 562897990 /nfs/dbraw/zinc/89/79/90/562897990.db2.gz FAYOGIJNAUXBTF-HHHXNRCGSA-N 0 0 505.582 4.564 1 0 KJAFRN COc1cc(-c2cn([C@H]3CCc4ccccc4N(Cc4cccnc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473098029 562897994 /nfs/dbraw/zinc/89/79/94/562897994.db2.gz FAYOGIJNAUXBTF-MHZLTWQESA-N 0 0 505.582 4.564 1 0 KJAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4cc(I)ccc4n3)cc2)no1 ZINC000473100593 562898062 /nfs/dbraw/zinc/89/80/62/562898062.db2.gz IHJCTAHEZKKBMA-UHFFFAOYSA-N 0 0 501.328 4.957 1 0 KJAFRN CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C(=O)C1=O ZINC000473101468 562898101 /nfs/dbraw/zinc/89/81/01/562898101.db2.gz JPUARTFOHZKSCN-CDBYGCFJSA-N 0 0 721.943 4.910 1 0 KJAFRN CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)C[C@@H](C)[C@@]13OC2(C)C ZINC000473102022 562898095 /nfs/dbraw/zinc/89/80/95/562898095.db2.gz LHHKRFHXWAQFOV-HJJCBLRASA-N 0 0 578.658 4.915 1 0 KJAFRN CC(C)(NC(=O)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)cc3OCCn3cc(F)cn3)c2C1)C12CC(C1)C2 ZINC000473102960 562898125 /nfs/dbraw/zinc/89/81/25/562898125.db2.gz MKDUHWLFHOQNBA-UHFFFAOYSA-N 0 0 560.461 4.881 1 0 KJAFRN CC(F)(F)CC(C)(C)NC(=O)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)c2C1 ZINC000473104170 562898154 /nfs/dbraw/zinc/89/81/54/562898154.db2.gz OPRJLHSOTCWXMO-UHFFFAOYSA-N 0 0 554.429 4.988 1 0 KJAFRN O=C(Nc1ccc(F)cc1)Nc1cc2c(cc1N1CCOCC1)/C(=C/c1ccc3c(c1)OCO3)C(=O)N2 ZINC000473105276 562898196 /nfs/dbraw/zinc/89/81/96/562898196.db2.gz RKCLJWJVYHLKIO-JAIQZWGSSA-N 0 0 502.502 4.528 1 0 KJAFRN CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCO5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 ZINC000473105525 562898201 /nfs/dbraw/zinc/89/82/01/562898201.db2.gz SNTZWRCJHFRKSG-JYFHCDHNSA-N 0 0 554.647 4.645 1 0 KJAFRN CC(C)(CC(F)(F)F)NC(=O)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)c2C1 ZINC000473105925 562898208 /nfs/dbraw/zinc/89/82/08/562898208.db2.gz UIYHEBUHAHIXGD-UHFFFAOYSA-N 0 0 558.392 4.895 1 0 KJAFRN CCCC(=O)O[C@H]1C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(COC(C)=O)[C@@H]1OC(C)=O)C(C)(C)O3 ZINC000473106304 562898244 /nfs/dbraw/zinc/89/82/44/562898244.db2.gz WEXWAUBBQRDLFS-SURVQNKLSA-N 0 0 570.679 4.802 1 0 KJAFRN CC(=O)Nc1nc(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)n(C(C)C)n1 ZINC000473106442 562898257 /nfs/dbraw/zinc/89/82/57/562898257.db2.gz XHFVNNYFDCLKOC-UHFFFAOYSA-N 0 0 514.005 4.939 1 0 KJAFRN CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 ZINC000473106845 562898258 /nfs/dbraw/zinc/89/82/58/562898258.db2.gz YAIYAMAFXPLZQQ-LBNPDIFZSA-N 0 0 580.685 4.613 1 0 KJAFRN CCCCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CCN(C)CC5)nc(C)n4)s3)cc2)no1 ZINC000473109191 562898439 /nfs/dbraw/zinc/89/84/39/562898439.db2.gz QQHUJDHUHXTNQO-UHFFFAOYSA-N 0 0 547.689 4.800 1 0 KJAFRN O=C(NCC[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2 ZINC000473110114 562898507 /nfs/dbraw/zinc/89/85/07/562898507.db2.gz UXVSPCRUHCDGHS-JOCHJYFZSA-N 0 0 510.465 4.868 1 0 KJAFRN O=C(NCC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2 ZINC000473110115 562898530 /nfs/dbraw/zinc/89/85/30/562898530.db2.gz UXVSPCRUHCDGHS-QFIPXVFZSA-N 0 0 510.465 4.868 1 0 KJAFRN O=C1Nc2ccccc2[C@@]12N1CCC[C@@H]1[C@@H](c1ccc(C(F)(F)F)cc1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473110529 562898512 /nfs/dbraw/zinc/89/85/12/562898512.db2.gz WRLFFWGEAXXYBF-SFUJYVBYSA-N 0 0 517.507 4.857 1 0 KJAFRN CC(=O)O[C@H](C(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(/C=C/C2=CC(=O)OC2)[C@@]1(C)O)C(C)C ZINC000473111562 562898609 /nfs/dbraw/zinc/89/86/09/562898609.db2.gz ACMQMVLCJMBSBV-CRWDZIACSA-N 0 0 594.701 4.884 1 0 KJAFRN CC(=O)O[C@@H](C(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(/C=C/C2=CC(=O)OC2)[C@@]1(C)O)C(C)C ZINC000473111565 562898625 /nfs/dbraw/zinc/89/86/25/562898625.db2.gz ACMQMVLCJMBSBV-DDRZRSTNSA-N 0 0 594.701 4.884 1 0 KJAFRN CC[NH+](CC)CCNC(=O)Nc1nc2ccc(-c3cnc(OC)c([N-]S(=O)(=O)c4ccc(C)cc4)c3)cc2s1 ZINC000473112301 562898697 /nfs/dbraw/zinc/89/86/97/562898697.db2.gz DKBCPMBCYKHNCR-UHFFFAOYSA-N 0 0 568.725 4.939 1 0 KJAFRN COc1cc2oc(-c3cccc(OCCN4CC[NH+](Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000473112545 562898674 /nfs/dbraw/zinc/89/86/74/562898674.db2.gz FEXBRTPFMDQSTD-UHFFFAOYSA-N 0 0 530.621 4.682 1 0 KJAFRN NC(=O)c1ccc(NC(=O)c2ccc(-n3ccccc3=O)cc2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000473112593 562898670 /nfs/dbraw/zinc/89/86/70/562898670.db2.gz FNCSYBJEPMIBLB-UHFFFAOYSA-N 0 0 521.360 4.748 1 0 KJAFRN Nc1ncc(-c2cnn(CC(=O)N3CCOCC3)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c21 ZINC000473113359 562898797 /nfs/dbraw/zinc/89/87/97/562898797.db2.gz GFOIQLNLIWYHQN-UHFFFAOYSA-N 0 0 511.607 4.890 1 0 KJAFRN COc1ncc(-c2cc3c(ncnc3-c3ccncc3)s2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000473114045 562898871 /nfs/dbraw/zinc/89/88/71/562898871.db2.gz IHWMYZQUTPMTII-UHFFFAOYSA-N 0 0 511.535 4.903 1 0 KJAFRN COc1nc(OC)nc(-c2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)n3c2cccc3-c2ccccc2)n1 ZINC000473114059 562898884 /nfs/dbraw/zinc/89/88/84/562898884.db2.gz LRDPCLQPJKZXBF-UHFFFAOYSA-N 0 0 526.549 4.732 1 0 KJAFRN COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)[N-]c1cccc(NCCNC(=O)c2ccccc2)c1 ZINC000473114094 562898901 /nfs/dbraw/zinc/89/89/01/562898901.db2.gz LWGIWXRRTKTHLG-UHFFFAOYSA-N 0 0 572.687 4.707 1 0 KJAFRN CCOC(=O)c1ccc(NC(=O)c2ccc(-n3ccccc3=O)cc2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000473114409 562898958 /nfs/dbraw/zinc/89/89/58/562898958.db2.gz NNIGFTPUUDCTPH-UHFFFAOYSA-N 0 0 571.586 4.545 1 0 KJAFRN COc1ncc(-c2ccc3nc(NC(=O)NCC[NH+]4CCCC4)sc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000473114424 562898963 /nfs/dbraw/zinc/89/89/63/562898963.db2.gz NQYTWDAPGKHQPL-UHFFFAOYSA-N 0 0 570.672 4.524 1 0 KJAFRN COc1ccc(C(=O)NCCNc2cccc([N-]S(=O)(=O)c3cc(-c4cccc(C(=O)N(C)C)c4)ccc3OC)c2)cc1 ZINC000473115918 562899119 /nfs/dbraw/zinc/89/91/19/562899119.db2.gz VSRZCPIUDDLGPT-UHFFFAOYSA-N 0 0 602.713 4.715 1 0 KJAFRN CC(C)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2)CC1 ZINC000473116250 562899136 /nfs/dbraw/zinc/89/91/36/562899136.db2.gz WEGWEPDJXGVTOV-UHFFFAOYSA-N 0 0 523.499 4.691 1 0 KJAFRN CC[NH+](CC)CCNC(=O)Nc1nc2ccc(-c3cnc(OC)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cc2s1 ZINC000473117362 562899209 /nfs/dbraw/zinc/89/92/09/562899209.db2.gz YWFOHQFLGQVFIB-UHFFFAOYSA-N 0 0 572.688 4.770 1 0 KJAFRN OC[C@@H](O)c1cccc(-c2ccc3c(c2)CN(Cc2ncc[nH]2)CCN3c2ccc(C(F)(F)F)cc2)n1 ZINC000473119677 562899297 /nfs/dbraw/zinc/89/92/97/562899297.db2.gz MFDGNPAZLBCEPL-RUZDIDTESA-N 0 0 509.532 4.670 1 0 KJAFRN COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)C=Cc1ccccc1 ZINC000473120377 562899312 /nfs/dbraw/zinc/89/93/12/562899312.db2.gz CRXZHKVOPFJSRN-RPAADVPWSA-N 0 0 504.535 4.774 1 0 KJAFRN COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)C=Cc1ccccc1 ZINC000473120382 562899323 /nfs/dbraw/zinc/89/93/23/562899323.db2.gz CRXZHKVOPFJSRN-VSFZPWCASA-N 0 0 504.535 4.774 1 0 KJAFRN CC(=O)OC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H](C=C[C@]45OC[C@@]6(CCC(C)(C)C[C@H]64)[C@@H](O)C[C@]53C)[C@@]2(C)CC[C@@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O ZINC000473121180 562899438 /nfs/dbraw/zinc/89/94/38/562899438.db2.gz GBWXRMCMYHYMRZ-PKOLGPRMSA-N 0 0 660.889 4.524 1 0 KJAFRN Cc1nc([C@]2(c3cnn(CC4CC4)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)no1 ZINC000473121196 562899417 /nfs/dbraw/zinc/89/94/17/562899417.db2.gz GEVPOPFBQAYDNK-FUFSCUOVSA-N 0 0 535.587 4.569 1 0 KJAFRN O=C(Cn1c(=O)ccn(CCCCCOc2ccc(Br)cc2)c1=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000473121571 562899428 /nfs/dbraw/zinc/89/94/28/562899428.db2.gz PVOCQTHFWJBVSG-UHFFFAOYSA-N 0 0 590.474 4.892 1 0 KJAFRN COc1ccc(CC(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473121836 562899451 /nfs/dbraw/zinc/89/94/51/562899451.db2.gz HGQTYFUYVDJECD-IXCJQBJRSA-N 0 0 524.566 4.569 1 0 KJAFRN COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1 ZINC000473121849 562899480 /nfs/dbraw/zinc/89/94/80/562899480.db2.gz HOTMGUCFOQOUNC-SSEXGKCCSA-N 0 0 572.669 4.949 1 0 KJAFRN O=C(Cn1c(=O)ccn(CCCOc2ccc(Br)cc2)c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000473122511 562899489 /nfs/dbraw/zinc/89/94/89/562899489.db2.gz SSDNYFBLKSHWSO-UHFFFAOYSA-N 0 0 550.409 4.673 1 0 KJAFRN CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1cc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473122684 562899522 /nfs/dbraw/zinc/89/95/22/562899522.db2.gz JRGXFRNSWBALTH-RPWUZVMVSA-N 0 0 620.699 4.771 1 0 KJAFRN CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1cc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473122693 562899538 /nfs/dbraw/zinc/89/95/38/562899538.db2.gz JRGXFRNSWBALTH-ZEQRLZLVSA-N 0 0 620.699 4.771 1 0 KJAFRN COc1ncc(-c2ccc3nncc(-c4ccncc4)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000473123448 562899557 /nfs/dbraw/zinc/89/95/57/562899557.db2.gz VJVJKCSIKUBVIO-UHFFFAOYSA-N 0 0 505.506 4.841 1 0 KJAFRN CCn1cc([C@@]2(c3nnc(SC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1 ZINC000473123697 562899595 /nfs/dbraw/zinc/89/95/95/562899595.db2.gz MJIKQFPIOPDZIZ-JIPXPUAJSA-N 0 0 541.616 4.592 1 0 KJAFRN COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)CCc1cc(OC)c(OC)c(OC)c1)C2 ZINC000473124606 562899612 /nfs/dbraw/zinc/89/96/12/562899612.db2.gz NMYHLQAELGNFJE-PQHLKRTFSA-N 0 0 598.645 4.976 1 0 KJAFRN COc1ccc(C=CC(=O)O[C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473124682 562899608 /nfs/dbraw/zinc/89/96/08/562899608.db2.gz NXJOBOQNIOYQFI-AKMNDLLVSA-N 0 0 550.560 4.680 1 0 KJAFRN COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000473124704 562899627 /nfs/dbraw/zinc/89/96/27/562899627.db2.gz OEWZLFIISOUASB-BDYUSTAISA-N 0 0 675.756 4.959 1 0 KJAFRN COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000473124707 562899634 /nfs/dbraw/zinc/89/96/34/562899634.db2.gz OEWZLFIISOUASB-VPUSJEBWSA-N 0 0 675.756 4.959 1 0 KJAFRN CC1=CCC[C@@H]2[C@@](C)(/C=C/C3=CC(=O)OC3)[C@@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000473124764 562899671 /nfs/dbraw/zinc/89/96/71/562899671.db2.gz WZRBVWLPCKNBQX-HSUYODJOSA-N 0 0 522.638 4.953 1 0 KJAFRN COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)C=Cc1ccc(OC)c(OC)c1)C2=O ZINC000473124815 562899677 /nfs/dbraw/zinc/89/96/77/562899677.db2.gz PMWJQAWAXJKNOD-VNKOPLACSA-N 0 0 580.586 4.688 1 0 KJAFRN O=C(/C=C/CN1CC(F)(F)C1)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000473124827 562899676 /nfs/dbraw/zinc/89/96/76/562899676.db2.gz PPEZEEAPLYITCF-PYKQWIPUSA-N 0 0 533.938 4.779 1 0 KJAFRN COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)CCc1ccccc1 ZINC000473125514 562899707 /nfs/dbraw/zinc/89/97/07/562899707.db2.gz QNEDZBSKSMSMIV-FQEVSTJZSA-N 0 0 506.551 4.693 1 0 KJAFRN COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)CCc1ccccc1 ZINC000473125515 562899698 /nfs/dbraw/zinc/89/96/98/562899698.db2.gz QNEDZBSKSMSMIV-HXUWFJFHSA-N 0 0 506.551 4.693 1 0 KJAFRN COc1ccc(CCC(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473125569 562899714 /nfs/dbraw/zinc/89/97/14/562899714.db2.gz QYZKXRXZXGTMSY-XRKRLSELSA-N 0 0 538.593 4.959 1 0 KJAFRN COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)Cc1cc(OC)c(OC)c(OC)c1)C2 ZINC000473125680 562899713 /nfs/dbraw/zinc/89/97/13/562899713.db2.gz ROHMUMVTRZETHY-XRKRLSELSA-N 0 0 584.618 4.586 1 0 KJAFRN COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000473126345 562899766 /nfs/dbraw/zinc/89/97/66/562899766.db2.gz SDUUXJDZCVZZHL-PMACEKPBSA-N 0 0 587.666 5.000 1 0 KJAFRN COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000473126346 562899747 /nfs/dbraw/zinc/89/97/47/562899747.db2.gz SDUUXJDZCVZZHL-UXHICEINSA-N 0 0 587.666 5.000 1 0 KJAFRN COc1cc(-c2cn([C@@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1ccc(C)n1 ZINC000473127132 562899797 /nfs/dbraw/zinc/89/97/97/562899797.db2.gz AOKWWJCIJNZVJJ-JOCHJYFZSA-N 0 0 514.483 4.670 1 0 KJAFRN COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1ccc(C)n1 ZINC000473127139 562899785 /nfs/dbraw/zinc/89/97/85/562899785.db2.gz AOKWWJCIJNZVJJ-QFIPXVFZSA-N 0 0 514.483 4.670 1 0 KJAFRN COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C2=O ZINC000473127952 562899876 /nfs/dbraw/zinc/89/98/76/562899876.db2.gz XEWUSMZNVDDSDW-BQGYHQMESA-N 0 0 610.612 4.697 1 0 KJAFRN CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)Cc4ccsc4)[C@@H](C)C3)nc12 ZINC000473128030 562899875 /nfs/dbraw/zinc/89/98/75/562899875.db2.gz XZOOMTKVHZNCPR-SFHVURJKSA-N 0 0 505.619 4.636 1 0 KJAFRN COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)CCc1ccc(OC)c(OC)c1)C2 ZINC000473128166 562899909 /nfs/dbraw/zinc/89/99/09/562899909.db2.gz YWDQFYDTUIAQQA-PQHLKRTFSA-N 0 0 568.619 4.968 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473128174 562899927 /nfs/dbraw/zinc/89/99/27/562899927.db2.gz 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562900126 /nfs/dbraw/zinc/90/01/26/562900126.db2.gz NONAPPDCXPRABA-CLLHQPRTSA-N 0 0 786.842 4.952 1 0 KJAFRN COc1cc(-n2cnc(C)c2)c(F)cc1-c1cn([C@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)nn1 ZINC000473131787 562900180 /nfs/dbraw/zinc/90/01/80/562900180.db2.gz PAKLKPUAVWQYOT-NRFANRHFSA-N 0 0 532.473 4.809 1 0 KJAFRN COc1cc(-n2cnc(C)c2)c(F)cc1-c1cn([C@@H]2CCc3c(F)cccc3N(CC(F)(F)F)C2=O)nn1 ZINC000473131788 562900192 /nfs/dbraw/zinc/90/01/92/562900192.db2.gz PAKLKPUAVWQYOT-OAQYLSRUSA-N 0 0 532.473 4.809 1 0 KJAFRN COc1cc([C@H]2CC(=O)c3c(O)c(C/C=C(\C)CC[C@@H](O)C(C)(C)OC)c(O)cc3O2)cc(OC)c1O ZINC000473132705 562900239 /nfs/dbraw/zinc/90/02/39/562900239.db2.gz UTJACGGIQKDKBW-AJXBRLEZSA-N 0 0 516.587 4.582 1 0 KJAFRN COc1cc([C@@H]2CC(=O)c3c(O)c(C/C=C(\C)CC[C@@H](O)C(C)(C)OC)c(O)cc3O2)cc(OC)c1O ZINC000473132706 562900246 /nfs/dbraw/zinc/90/02/46/562900246.db2.gz UTJACGGIQKDKBW-SJEOSKFXSA-N 0 0 516.587 4.582 1 0 KJAFRN COc1cc([C@@H]2CC(=O)c3c(O)c(C/C=C(\C)CC[C@H](O)C(C)(C)OC)c(O)cc3O2)cc(OC)c1O ZINC000473132707 562900234 /nfs/dbraw/zinc/90/02/34/562900234.db2.gz UTJACGGIQKDKBW-SLAMVJISSA-N 0 0 516.587 4.582 1 0 KJAFRN COc1cc([C@H]2CC(=O)c3c(O)c(C/C=C(\C)CC[C@H](O)C(C)(C)OC)c(O)cc3O2)cc(OC)c1O ZINC000473132708 562900248 /nfs/dbraw/zinc/90/02/48/562900248.db2.gz UTJACGGIQKDKBW-VQYFMSLJSA-N 0 0 516.587 4.582 1 0 KJAFRN CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35C[C@@H](O)[C@]2(C)[C@H]1[C@]1(C)CC[C@H](C(C)(C)O)O1)CC[C@H](O)C4(C)C ZINC000473132710 562900258 /nfs/dbraw/zinc/90/02/58/562900258.db2.gz UVFJADXUWLERQA-LUWARDELSA-N 0 0 590.798 4.549 1 0 KJAFRN COc1c(F)c(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473132722 562900254 /nfs/dbraw/zinc/90/02/54/562900254.db2.gz VDPXCTBZYYXCRN-NRFANRHFSA-N 0 0 532.473 4.809 1 0 KJAFRN CC(C)=CC[C@]12C[C@@H]3[C@@H]4[C@@H](O)C(C)(C)[C@@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473133694 562900381 /nfs/dbraw/zinc/90/03/81/562900381.db2.gz BCOHDAGPVODANT-OUBAXVBASA-N 0 0 534.693 4.760 1 0 KJAFRN COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCCN(C(C)=O)C2 ZINC000473133734 562900425 /nfs/dbraw/zinc/90/04/25/562900425.db2.gz CPQPQASNGAKBFB-UHFFFAOYSA-N 0 0 544.077 4.525 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cccc(OC)c3)c2)NC(=O)O[C@H]2CCOC2)cc1 ZINC000473133742 562900428 /nfs/dbraw/zinc/90/04/28/562900428.db2.gz CWARYIKSPWWUJT-RUHGTMQNSA-N 0 0 626.772 4.505 1 0 KJAFRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1N1CCCC1=O)OCc1ccccc1 ZINC000473133743 562900432 /nfs/dbraw/zinc/90/04/32/562900432.db2.gz CYIUIMKOFADWOH-UHFFFAOYSA-N 0 0 501.511 4.641 1 0 KJAFRN CN=c1cc2c(c[nH]1)cc(-c1ccc(F)c(NC(=O)Nc3cc(C(C)(C)C)no3)c1)c(=O)n2[C@H]1CCOC1 ZINC000473134048 562900479 /nfs/dbraw/zinc/90/04/79/562900479.db2.gz BIYLXMSIYSWZMT-KRWDZBQOSA-N 0 0 520.565 4.557 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cc(OC)cc(OC)c3)c2)NC(=O)O[C@H]2CCOC2)cc1 ZINC000473134111 562900481 /nfs/dbraw/zinc/90/04/81/562900481.db2.gz FQXDNLSSJYBPNX-KXLBIAJQSA-N 0 0 656.798 4.513 1 0 KJAFRN CO[C@@H]1O[C@@H]([C@H](O)[C@](C)(O)CO)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@H]1[C@@]3(C)[C@H](O)C[C@H]2C(C)(C)[C@@H](OC(=O)C=C(C)C)CC[C@@]21C ZINC000473134334 562900502 /nfs/dbraw/zinc/90/05/02/562900502.db2.gz HJLXIEMILCSVEY-XBJZSTCGSA-N 0 0 618.852 4.756 1 0 KJAFRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3C[C@H]([C@H](O)C(C)(C)O)OC3=O)[C@]12C ZINC000473134928 562900588 /nfs/dbraw/zinc/90/05/88/562900588.db2.gz JTBQVVWNWDFTSZ-MKUWHFERSA-N 0 0 546.745 4.558 1 0 KJAFRN [NH3+]CCCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)[O-])cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135014 562900598 /nfs/dbraw/zinc/90/05/98/562900598.db2.gz DUNUPTQBHCOSBR-LITSAYRRSA-N 0 0 538.648 4.851 1 0 KJAFRN [NH3+]CCCC[C@@H]1N[C@@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)[O-])cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135018 562900600 /nfs/dbraw/zinc/90/06/00/562900600.db2.gz DUNUPTQBHCOSBR-WNJJXGMVSA-N 0 0 538.648 4.851 1 0 KJAFRN O=C(Nc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)cc(N3CCCC3=O)c21 ZINC000473135128 562900624 /nfs/dbraw/zinc/90/06/24/562900624.db2.gz LOMJQLZSGZAKFT-UHFFFAOYSA-N 0 0 530.528 4.626 1 0 KJAFRN CC(=O)O[C@@H](CC1COC(=O)C1=O)[C@]1(C)[C@@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2ccccc2)[C@]1(C)O ZINC000473135444 562900744 /nfs/dbraw/zinc/90/07/44/562900744.db2.gz PMRCLNAMSQXGTL-WYDZATRASA-N 0 0 633.694 4.657 1 0 KJAFRN O=C(OCc1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)cc(N3CCCCC3=O)c21 ZINC000473135631 562900796 /nfs/dbraw/zinc/90/07/96/562900796.db2.gz QGFVUUJRSFYDKK-UHFFFAOYSA-N 0 0 541.576 4.982 1 0 KJAFRN COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CN(C(C)=O)CCC2 ZINC000473135649 562900838 /nfs/dbraw/zinc/90/08/38/562900838.db2.gz QRYAORAAWVXYEL-UHFFFAOYSA-N 0 0 544.077 4.525 1 0 KJAFRN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2 ZINC000473135668 562900835 /nfs/dbraw/zinc/90/08/35/562900835.db2.gz RIUCUNLGSJIFLP-JOCHJYFZSA-N 0 0 528.996 4.914 1 0 KJAFRN O=C(NC[C@H]1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2 ZINC000473135669 562900829 /nfs/dbraw/zinc/90/08/29/562900829.db2.gz RIUCUNLGSJIFLP-QFIPXVFZSA-N 0 0 528.996 4.914 1 0 KJAFRN C=C/C(C)=C/C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](O)[C@@]23C(=C[C@H](OC)C[C@H]21)[C@@H](OC(=O)CCC)O[C@H]3OC(C)=O ZINC000473135697 562900853 /nfs/dbraw/zinc/90/08/53/562900853.db2.gz SBQNYWSGQZHIRT-YRPGVFIESA-N 0 0 562.700 4.774 1 0 KJAFRN [NH3+]CCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)[O-])cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135739 562900824 /nfs/dbraw/zinc/90/08/24/562900824.db2.gz JYOIDCLSHGWNTR-VWLOTQADSA-N 0 0 522.605 4.620 1 0 KJAFRN COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccc(F)cc3C(F)(F)F)CCO4)CC2)ccn1 ZINC000473135790 562900869 /nfs/dbraw/zinc/90/08/69/562900869.db2.gz KZQHKMKBAZNTMD-UHFFFAOYSA-N 0 0 504.488 4.650 1 0 KJAFRN O=C1CCCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2 ZINC000473136132 562900960 /nfs/dbraw/zinc/90/09/60/562900960.db2.gz XYGULJFWJSARGX-UHFFFAOYSA-N 0 0 511.594 4.888 1 0 KJAFRN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2nc(C)n(CCc3ccc(F)cc3)c21 ZINC000473136161 562900951 /nfs/dbraw/zinc/90/09/51/562900951.db2.gz YOJKMHNBQNMZME-UHFFFAOYSA-N 0 0 502.518 4.764 1 0 KJAFRN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)cc(N3CCNC3=O)c21 ZINC000473136186 562900945 /nfs/dbraw/zinc/90/09/45/562900945.db2.gz YVXDLDVRCSNFPF-UHFFFAOYSA-N 0 0 581.523 4.909 1 0 KJAFRN CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c3c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)ccc2C(N)=O)CC1 ZINC000473136413 562901014 /nfs/dbraw/zinc/90/10/14/562901014.db2.gz RBAHQHAFZWLDGS-UHFFFAOYSA-N 0 0 549.606 4.866 1 0 KJAFRN CN(C)c1ccc(C(=O)Nc2cccc(-c3ccc(C(N)=O)c4[nH]c5cc(C(=O)N6CCN(C)CC6)ccc5c43)c2F)cc1 ZINC000473137636 562901205 /nfs/dbraw/zinc/90/12/05/562901205.db2.gz YPXWUKLQAUBCPF-UHFFFAOYSA-N 0 0 592.675 4.932 1 0 KJAFRN CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(OCCCN2CCOCC2)cc1 ZINC000473144210 562901222 /nfs/dbraw/zinc/90/12/22/562901222.db2.gz ADWURTUVOMHDIA-UHFFFAOYSA-N 0 0 503.521 4.697 1 0 KJAFRN CC(=O)c1ccc(OC(C)C)c(-n2c(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc3ccccc3c2=O)c1 ZINC000473144430 562901237 /nfs/dbraw/zinc/90/12/37/562901237.db2.gz ATCMKDQGMKHRFI-UHFFFAOYSA-N 0 0 589.092 4.752 1 0 KJAFRN CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](NC(=O)OCC)CC2 ZINC000473145379 562901287 /nfs/dbraw/zinc/90/12/87/562901287.db2.gz SEMIYAVYWMYDNZ-DQEYMECFSA-N 0 0 523.095 4.778 1 0 KJAFRN CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](NC(=O)OCC)CC2 ZINC000473145381 562901301 /nfs/dbraw/zinc/90/13/01/562901301.db2.gz SEMIYAVYWMYDNZ-RPBOFIJWSA-N 0 0 523.095 4.778 1 0 KJAFRN COc1ccc(C(=O)OCCN2CCOCC2)cc1NC(=O)Nc1cc(-c2cccnc2)cc(C(F)(F)F)c1 ZINC000473149175 562901497 /nfs/dbraw/zinc/90/14/97/562901497.db2.gz INVGEHRMJUHREL-UHFFFAOYSA-N 0 0 544.530 4.909 1 0 KJAFRN CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(NCCCN2CCOCC2)cc1 ZINC000473149185 562901488 /nfs/dbraw/zinc/90/14/88/562901488.db2.gz ITQPSSHZDKJILG-UHFFFAOYSA-N 0 0 502.537 4.730 1 0 KJAFRN CC(C)Oc1ccc(C(=O)Cn2ccnc2)cc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O ZINC000473151524 562901670 /nfs/dbraw/zinc/90/16/70/562901670.db2.gz PSPXJPWGVFNGQI-UHFFFAOYSA-N 0 0 655.155 4.629 1 0 KJAFRN CC[NH+]1CCN(CCCOc2ccc(Nc3c(C(=O)[O-])cnc4ccc(C(F)(F)F)cc43)cc2)CC1 ZINC000473151529 562901650 /nfs/dbraw/zinc/90/16/50/562901650.db2.gz PWAKBXVKVUXRKR-UHFFFAOYSA-N 0 0 502.537 4.524 1 0 KJAFRN CC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](C[NH+](C)C)c2cccc(Cl)c2F)c2ccccc21 ZINC000473152156 562901716 /nfs/dbraw/zinc/90/17/16/562901716.db2.gz ZHTMPLDXCWMNGU-RWJCITIMSA-N 0 0 526.012 4.508 1 0 KJAFRN CC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)c2cc(C[C@H]3CCc4ccccc43)ccc21 ZINC000473152309 562901784 /nfs/dbraw/zinc/90/17/84/562901784.db2.gz SWFRGHVUTBNYJG-NRSKXHDUSA-N 0 0 511.666 4.765 1 0 KJAFRN CC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)c2cc(C[C@@H]3CCc4ccccc43)ccc21 ZINC000473152318 562901748 /nfs/dbraw/zinc/90/17/48/562901748.db2.gz SWFRGHVUTBNYJG-QZFRTWIZSA-N 0 0 511.666 4.765 1 0 KJAFRN CC(C)Oc1ccc(C(=O)CF)cc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O ZINC000473152713 562901899 /nfs/dbraw/zinc/90/18/99/562901899.db2.gz VQCANMVYTKWJNM-UHFFFAOYSA-N 0 0 607.082 4.702 1 0 KJAFRN CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn([C@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473152894 562901863 /nfs/dbraw/zinc/90/18/63/562901863.db2.gz WWSWXUCLNZWXKO-BTYSJIOQSA-N 0 0 621.657 4.668 1 0 KJAFRN CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn([C@@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473152895 562901857 /nfs/dbraw/zinc/90/18/57/562901857.db2.gz WWSWXUCLNZWXKO-IADCTJSHSA-N 0 0 621.657 4.668 1 0 KJAFRN CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473153282 562901972 /nfs/dbraw/zinc/90/19/72/562901972.db2.gz ZTVSEEZXXJDMNY-HHHXNRCGSA-N 0 0 590.721 4.693 1 0 KJAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O ZINC000473153297 562901966 /nfs/dbraw/zinc/90/19/66/562901966.db2.gz ZZAPUPHZNHKMBW-CHQNGUEUSA-N 0 0 610.110 4.982 1 0 KJAFRN CCCCN(C)c1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000473153371 562901993 /nfs/dbraw/zinc/90/19/93/562901993.db2.gz BDTFOAVEGSRYCV-HNNXBMFYSA-N 0 0 503.562 4.872 1 0 KJAFRN CCCCN(C)c1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000473153372 562902001 /nfs/dbraw/zinc/90/20/01/562902001.db2.gz BDTFOAVEGSRYCV-OAHLLOKOSA-N 0 0 503.562 4.872 1 0 KJAFRN CC(C)[C@](C)(NCc1ccc2occc2c1)c1cn([C@@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473153695 562902041 /nfs/dbraw/zinc/90/20/41/562902041.db2.gz CLEDCFNOFQFOGX-KMRXNPHXSA-N 0 0 610.630 4.866 1 0 KJAFRN CC(C)[C@](C)(NCc1ccc2occc2c1)c1cn([C@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473153696 562902045 /nfs/dbraw/zinc/90/20/45/562902045.db2.gz CLEDCFNOFQFOGX-PIKZIKFNSA-N 0 0 610.630 4.866 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473154199 562902078 /nfs/dbraw/zinc/90/20/78/562902078.db2.gz FFHHILGKCFDLBX-NFBKMPQASA-N 0 0 508.625 4.983 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473154200 562902074 /nfs/dbraw/zinc/90/20/74/562902074.db2.gz FFHHILGKCFDLBX-NZQKXSOJSA-N 0 0 508.625 4.983 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473154201 562902103 /nfs/dbraw/zinc/90/21/03/562902103.db2.gz FFHHILGKCFDLBX-OFNKIYASSA-N 0 0 508.625 4.983 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@@H](C(=O)c2ccc(C)cc2)S3)cc(OC)c1OC ZINC000473154202 562902080 /nfs/dbraw/zinc/90/20/80/562902080.db2.gz FFHHILGKCFDLBX-REWPJTCUSA-N 0 0 508.625 4.983 1 0 KJAFRN CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccn3nccc3n2)C(C)C)nn1 ZINC000473154322 562902060 /nfs/dbraw/zinc/90/20/60/562902060.db2.gz GFKPWKCDJBRXQK-DCFHFQCYSA-N 0 0 561.584 4.918 1 0 KJAFRN CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccn3nccc3n2)C(C)C)nn1 ZINC000473154323 562902091 /nfs/dbraw/zinc/90/20/91/562902091.db2.gz GFKPWKCDJBRXQK-HRFSGMKKSA-N 0 0 561.584 4.918 1 0 KJAFRN COc1cc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2cccs2)cc(OC)c1OC ZINC000473154363 562902131 /nfs/dbraw/zinc/90/21/31/562902131.db2.gz GPNQHSAXJWADRZ-BWKNWUBXSA-N 0 0 584.676 4.700 1 0 KJAFRN COc1cc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2cccs2)cc(OC)c1OC ZINC000473154364 562902125 /nfs/dbraw/zinc/90/21/25/562902125.db2.gz GPNQHSAXJWADRZ-OFVILXPXSA-N 0 0 584.676 4.700 1 0 KJAFRN COc1cc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2cccs2)cc(OC)c1OC ZINC000473154365 562902143 /nfs/dbraw/zinc/90/21/43/562902143.db2.gz GPNQHSAXJWADRZ-PXDATVDWSA-N 0 0 584.676 4.700 1 0 KJAFRN COc1cc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2cccs2)cc(OC)c1OC ZINC000473154366 562902122 /nfs/dbraw/zinc/90/21/22/562902122.db2.gz GPNQHSAXJWADRZ-SQJMNOBHSA-N 0 0 584.676 4.700 1 0 KJAFRN COc1cc(-n2cnnc2)cc(Cl)c1C(=O)NC[C@H](c1nc2cc(C)c(C)cc2[nH]1)c1ccccc1 ZINC000473154448 562902166 /nfs/dbraw/zinc/90/21/66/562902166.db2.gz HQBXONCZYNQXOV-FQEVSTJZSA-N 0 0 500.990 4.984 1 0 KJAFRN OC[C@H](Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1cn(Cc2ccccc2)nn1 ZINC000473154483 562902173 /nfs/dbraw/zinc/90/21/73/562902173.db2.gz HZKGMAQIECYFMH-MHZLTWQESA-N 0 0 572.673 4.811 1 0 KJAFRN OC[C@H](Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1cn(-c2ccccc2)nn1 ZINC000473154768 562902248 /nfs/dbraw/zinc/90/22/48/562902248.db2.gz LOAQZFRGQRWGOD-VWLOTQADSA-N 0 0 558.646 4.752 1 0 KJAFRN CCCOc1ccc(S(=O)(=O)N(Cc2ccc(N(CC(=O)OC)S(C)(=O)=O)cc2)c2ccc(CN(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000473154949 562902315 /nfs/dbraw/zinc/90/23/15/562902315.db2.gz NHASEHNMQKEUAO-UHFFFAOYSA-N 0 0 743.926 4.772 1 0 KJAFRN O=C1N[C@@](O)(/C=C\n2cc(I)c3c2ncnc3Cl)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154959 562902301 /nfs/dbraw/zinc/90/23/01/562902301.db2.gz NKMBJVPYLHPVRS-XCMWCYMESA-N 0 0 614.827 4.624 1 0 KJAFRN O=C1N[C@](O)(/C=C\n2cc(I)c3c2ncnc3Cl)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154960 562902273 /nfs/dbraw/zinc/90/22/73/562902273.db2.gz NKMBJVPYLHPVRS-ZQJVVAQZSA-N 0 0 614.827 4.624 1 0 KJAFRN COC(=O)CN(c1ccc(CN(c2ccc(N(Cc3cccc(Cl)c3)S(C)(=O)=O)cc2)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000473155025 562902349 /nfs/dbraw/zinc/90/23/49/562902349.db2.gz OFOVHBCTGMIDIS-UHFFFAOYSA-N 0 0 720.291 4.782 1 0 KJAFRN COc1ccc(Cn2cc(Cn3cnc4c3nc(Oc3ccc5c(c3)CCC5)nc4N[C@H](CO)Cc3ccccc3)nn2)cc1 ZINC000473155125 562902394 /nfs/dbraw/zinc/90/23/94/562902394.db2.gz PBTJHHPCKMNMQK-MHZLTWQESA-N 0 0 602.699 4.820 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C(=O)N(C)Cc3nc(C)oc3C)c2)cc1 ZINC000473155271 562902431 /nfs/dbraw/zinc/90/24/31/562902431.db2.gz RAZUIBQFZPXOLC-UZNNEEJFSA-N 0 0 676.836 4.621 1 0 KJAFRN COc1cc(F)ccc1-n1c(=O)c2c(nc1SCC(=O)Nc1nc3ccc(C)cc3s1)CCS2 ZINC000473155289 562902412 /nfs/dbraw/zinc/90/24/12/562902412.db2.gz RIVSGEWCBGGFHU-UHFFFAOYSA-N 0 0 514.629 4.677 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473156941 562902469 /nfs/dbraw/zinc/90/24/69/562902469.db2.gz TYALXKRNRXKGNB-DENIHFKCSA-N 0 0 512.588 4.814 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473156950 562902453 /nfs/dbraw/zinc/90/24/53/562902453.db2.gz TYALXKRNRXKGNB-KNQAVFIVSA-N 0 0 512.588 4.814 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473156953 562902456 /nfs/dbraw/zinc/90/24/56/562902456.db2.gz TYALXKRNRXKGNB-SIKLNZKXSA-N 0 0 512.588 4.814 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@@H](C(=O)c2ccc(F)cc2)S3)cc(OC)c1OC ZINC000473156963 562902463 /nfs/dbraw/zinc/90/24/63/562902463.db2.gz TYALXKRNRXKGNB-UGKGYDQZSA-N 0 0 512.588 4.814 1 0 KJAFRN CCOc1ccc(S(=O)(=O)Nc2ccc(N(Cc3ccc(N(CC(=O)OC)S(=O)(=O)CC)cc3)S(=O)(=O)Cc3ccccc3)cc2)cc1 ZINC000473157272 562902516 /nfs/dbraw/zinc/90/25/16/562902516.db2.gz UZZUVIVTTDXMEL-UHFFFAOYSA-N 0 0 715.872 4.752 1 0 KJAFRN Cc1ccc2c(c1)c(C(N)=O)c1n2C[C@@](NC(=O)c2ccc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473158158 562902532 /nfs/dbraw/zinc/90/25/32/562902532.db2.gz VMFPNMKJFRPSDG-GDLZYMKVSA-N 0 0 525.012 4.554 1 0 KJAFRN COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(CC(F)(F)F)cc1 ZINC000473159171 562902663 /nfs/dbraw/zinc/90/26/63/562902663.db2.gz LKPIGXCNFCFRED-UHFFFAOYSA-N 0 0 522.531 4.985 1 0 KJAFRN Ic1ccccc1Oc1nc2nonc2nc1Oc1ccccc1I ZINC000473159173 562902670 /nfs/dbraw/zinc/90/26/70/562902670.db2.gz WXTMPVDGTMJPLF-UHFFFAOYSA-N 0 0 558.073 4.807 1 0 KJAFRN COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(OC(F)(F)F)cc1 ZINC000473159235 562902704 /nfs/dbraw/zinc/90/27/04/562902704.db2.gz VIEKBHGPZROLOI-UHFFFAOYSA-N 0 0 524.503 4.779 1 0 KJAFRN COc1cc([C@H](C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159294 562902703 /nfs/dbraw/zinc/90/27/03/562902703.db2.gz ZWIVMZNSHMYADK-HNNXBMFYSA-N 0 0 523.519 4.855 1 0 KJAFRN COc1cc([C@@H](C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159304 562902707 /nfs/dbraw/zinc/90/27/07/562902707.db2.gz ZWIVMZNSHMYADK-OAHLLOKOSA-N 0 0 523.519 4.855 1 0 KJAFRN COc1ccc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2cccs2)cc1 ZINC000473159440 562902728 /nfs/dbraw/zinc/90/27/28/562902728.db2.gz XIFAYNUVMCURHP-NFBKMPQASA-N 0 0 524.624 4.683 1 0 KJAFRN COc1ccc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2cccs2)cc1 ZINC000473159455 562902734 /nfs/dbraw/zinc/90/27/34/562902734.db2.gz XIFAYNUVMCURHP-NZQKXSOJSA-N 0 0 524.624 4.683 1 0 KJAFRN COc1ccc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2cccs2)cc1 ZINC000473159465 562902695 /nfs/dbraw/zinc/90/26/95/562902695.db2.gz XIFAYNUVMCURHP-OFNKIYASSA-N 0 0 524.624 4.683 1 0 KJAFRN COc1ccc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2cccs2)cc1 ZINC000473159477 562902762 /nfs/dbraw/zinc/90/27/62/562902762.db2.gz XIFAYNUVMCURHP-REWPJTCUSA-N 0 0 524.624 4.683 1 0 KJAFRN Cc1ncn(-c2cc(Cl)c(C(=O)N[C@]3(c4cn(C(C)C)nn4)CCc4nn5cc(C)ccc5c4C3)c(Cl)c2)n1 ZINC000473160503 562902761 /nfs/dbraw/zinc/90/27/61/562902761.db2.gz YEVXARZSSLMMSC-HHHXNRCGSA-N 0 0 564.481 4.825 1 0 KJAFRN COc1ccc(S(=O)(=O)N(C)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c3ccccc32)cc1 ZINC000473160619 562902744 /nfs/dbraw/zinc/90/27/44/562902744.db2.gz YRDHRUOSFSGQHM-UHFFFAOYSA-N 0 0 526.636 4.507 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000473164809 562902849 /nfs/dbraw/zinc/90/28/49/562902849.db2.gz ABFWLWFSFQECIW-INIZCTEOSA-N 0 0 523.424 5.000 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000473164816 562902814 /nfs/dbraw/zinc/90/28/14/562902814.db2.gz ABFWLWFSFQECIW-MRXNPFEDSA-N 0 0 523.424 5.000 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CC[NH2+]CC2)CC1 ZINC000473164839 562902821 /nfs/dbraw/zinc/90/28/21/562902821.db2.gz BIRFHKBAJSZZHC-UAPYVXQJSA-N 0 0 528.484 4.810 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000473164984 562902855 /nfs/dbraw/zinc/90/28/55/562902855.db2.gz LCYUZVJGMVEDLI-QQMNAOGKSA-N 0 0 544.483 4.756 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000473164985 562902874 /nfs/dbraw/zinc/90/28/74/562902874.db2.gz LCYUZVJGMVEDLI-SEPYTNNBSA-N 0 0 544.483 4.756 1 0 KJAFRN [NH3+][C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)nc43)cn2)C1 ZINC000473164998 562902863 /nfs/dbraw/zinc/90/28/63/562902863.db2.gz NMHHOPOQZMKQGJ-KRWDZBQOSA-N 0 0 533.007 4.876 1 0 KJAFRN [NH3+][C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)nc43)cn2)C1 ZINC000473164999 562902909 /nfs/dbraw/zinc/90/29/09/562902909.db2.gz NMHHOPOQZMKQGJ-QGZVFWFLSA-N 0 0 533.007 4.876 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](C[NH+]2CCN(C)CC2)CC1 ZINC000473165185 562902903 /nfs/dbraw/zinc/90/29/03/562902903.db2.gz PVOZIBMVEFRPQV-KESTWPANSA-N 0 0 526.056 4.638 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000473165263 562902925 /nfs/dbraw/zinc/90/29/25/562902925.db2.gz VBGUTTZUYVMACZ-QQMNAOGKSA-N 0 0 542.467 4.525 1 0 KJAFRN COc1ccc2c(c1)c(CCNC(C)=O)cn2CC(=O)NCCCCCCCCCNC(=O)Cn1cc(CCNC(C)=O)c2cc(OC)ccc21 ZINC000473165438 562902984 /nfs/dbraw/zinc/90/29/84/562902984.db2.gz CFJCVPHLEDDYHB-UHFFFAOYSA-N 0 0 702.897 4.634 1 0 KJAFRN CC(C)[C@](C)(NCc1ccc2ncsc2c1)c1cn([C@@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473168250 562903110 /nfs/dbraw/zinc/90/31/10/562903110.db2.gz LCNNMCFKBKHPHV-DCFHFQCYSA-N 0 0 627.686 4.729 1 0 KJAFRN CC(C)[C@](C)(NCc1ccc2ncsc2c1)c1cn([C@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000473168268 562903065 /nfs/dbraw/zinc/90/30/65/562903065.db2.gz LCNNMCFKBKHPHV-HRFSGMKKSA-N 0 0 627.686 4.729 1 0 KJAFRN O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000473169232 562903153 /nfs/dbraw/zinc/90/31/53/562903153.db2.gz MPXAMXCOIFEUBL-UHFFFAOYSA-N 0 0 502.273 4.771 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473169847 562903127 /nfs/dbraw/zinc/90/31/27/562903127.db2.gz OGUMLGVLHRNJSE-DENIHFKCSA-N 0 0 512.975 4.859 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473169852 562903133 /nfs/dbraw/zinc/90/31/33/562903133.db2.gz OGUMLGVLHRNJSE-KNQAVFIVSA-N 0 0 512.975 4.859 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473169857 562903132 /nfs/dbraw/zinc/90/31/32/562903132.db2.gz OGUMLGVLHRNJSE-SIKLNZKXSA-N 0 0 512.975 4.859 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473169863 562903115 /nfs/dbraw/zinc/90/31/15/562903115.db2.gz OGUMLGVLHRNJSE-UGKGYDQZSA-N 0 0 512.975 4.859 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(Br)cc2)S3)cc(OC)c1OC ZINC000473169998 562903199 /nfs/dbraw/zinc/90/31/99/562903199.db2.gz PGZJIGSPSUUFJZ-DENIHFKCSA-N 0 0 557.426 4.968 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(Br)cc2)S3)cc(OC)c1OC ZINC000473170004 562903173 /nfs/dbraw/zinc/90/31/73/562903173.db2.gz PGZJIGSPSUUFJZ-KNQAVFIVSA-N 0 0 557.426 4.968 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(Br)cc2)S3)cc(OC)c1OC ZINC000473170007 562903175 /nfs/dbraw/zinc/90/31/75/562903175.db2.gz PGZJIGSPSUUFJZ-SIKLNZKXSA-N 0 0 557.426 4.968 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(Br)cc2)S3)cc(OC)c1OC ZINC000473170011 562903166 /nfs/dbraw/zinc/90/31/66/562903166.db2.gz PGZJIGSPSUUFJZ-UGKGYDQZSA-N 0 0 557.426 4.968 1 0 KJAFRN CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@@H](NC(=O)OCC)CC2 ZINC000473170815 562903198 /nfs/dbraw/zinc/90/31/98/562903198.db2.gz QEYPMLLMZVWCBE-DQEYMECFSA-N 0 0 523.095 4.778 1 0 KJAFRN CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@@H](NC(=O)OCC)CC2 ZINC000473170817 562903211 /nfs/dbraw/zinc/90/32/11/562903211.db2.gz QEYPMLLMZVWCBE-RPBOFIJWSA-N 0 0 523.095 4.778 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2cccc(Br)c2)S3)cc(OC)c1OC ZINC000473172842 562903328 /nfs/dbraw/zinc/90/33/28/562903328.db2.gz ZAZUOLVVNNQSPI-DENIHFKCSA-N 0 0 557.426 4.968 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2cccc(Br)c2)S3)cc(OC)c1OC ZINC000473172843 562903324 /nfs/dbraw/zinc/90/33/24/562903324.db2.gz ZAZUOLVVNNQSPI-KNQAVFIVSA-N 0 0 557.426 4.968 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2cccc(Br)c2)S3)cc(OC)c1OC ZINC000473172844 562903349 /nfs/dbraw/zinc/90/33/49/562903349.db2.gz ZAZUOLVVNNQSPI-SIKLNZKXSA-N 0 0 557.426 4.968 1 0 KJAFRN COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2cccc(Br)c2)S3)cc(OC)c1OC ZINC000473172845 562903341 /nfs/dbraw/zinc/90/33/41/562903341.db2.gz ZAZUOLVVNNQSPI-UGKGYDQZSA-N 0 0 557.426 4.968 1 0 KJAFRN CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NC(=O)c2ccncc2)C(C)C)nn1 ZINC000473172865 562903351 /nfs/dbraw/zinc/90/33/51/562903351.db2.gz ZMTYWFIGVVVFSK-BCHFMIIMSA-N 0 0 535.542 4.910 1 0 KJAFRN CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NC(=O)c2ccncc2)C(C)C)nn1 ZINC000473172866 562903346 /nfs/dbraw/zinc/90/33/46/562903346.db2.gz ZMTYWFIGVVVFSK-SIBVEZHUSA-N 0 0 535.542 4.910 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[NH2+]CC2)CC1 ZINC000473179730 562903412 /nfs/dbraw/zinc/90/34/12/562903412.db2.gz NKOROMZQJXAGEO-XGAFWQRZSA-N 0 0 511.041 4.900 1 0 KJAFRN Cc1cc([C@H](C)[N@H+](Cc2ccc(OCCN3C(=O)CCC3=O)c(C)c2)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000473179735 562903434 /nfs/dbraw/zinc/90/34/34/562903434.db2.gz OTBBNYAOGBKXHP-AJSBUHFISA-N 0 0 513.034 4.911 1 0 KJAFRN Cc1cc([C@H](C)[N@H+](Cc2ccc(OCCN3C(=O)CCC3=O)c(C)c2)[C@H]2C[C@H](C(=O)[O-])C2)ccc1Cl ZINC000473179736 562903458 /nfs/dbraw/zinc/90/34/58/562903458.db2.gz OTBBNYAOGBKXHP-VJBMBRPKSA-N 0 0 513.034 4.911 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC000473183006 562903530 /nfs/dbraw/zinc/90/35/30/562903530.db2.gz HOQRVYVRASUREP-WGSAOQKQSA-N 0 0 529.468 4.940 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000473183382 562903623 /nfs/dbraw/zinc/90/36/23/562903623.db2.gz WOARNLGCSKTFCX-DYLHXGEVSA-N 0 0 539.051 4.958 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000473183383 562903647 /nfs/dbraw/zinc/90/36/47/562903647.db2.gz WOARNLGCSKTFCX-XMERXJNXSA-N 0 0 539.051 4.958 1 0 KJAFRN CCC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000473194468 562903630 /nfs/dbraw/zinc/90/36/30/562903630.db2.gz JKAQVXLBNYSNAD-INIZCTEOSA-N 0 0 520.996 4.876 1 0 KJAFRN CCC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000473194469 562903637 /nfs/dbraw/zinc/90/36/37/562903637.db2.gz JKAQVXLBNYSNAD-MRXNPFEDSA-N 0 0 520.996 4.876 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000473197534 562903666 /nfs/dbraw/zinc/90/36/66/562903666.db2.gz ALANNRUBNGLOLE-KKXDTOCCSA-N 0 0 515.441 4.725 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C(=O)NCC[NH+](C)C)CC1 ZINC000473197875 562903695 /nfs/dbraw/zinc/90/36/95/562903695.db2.gz JDYPYHYDYSTKGS-IRJFHVNHSA-N 0 0 527.040 4.673 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000473198562 562903768 /nfs/dbraw/zinc/90/37/68/562903768.db2.gz OBRQKEMRUPQRBA-MHPIHPPYSA-N 0 0 527.040 4.847 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000473198563 562903765 /nfs/dbraw/zinc/90/37/65/562903765.db2.gz OBRQKEMRUPQRBA-MPCDZSKCSA-N 0 0 527.040 4.847 1 0 KJAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000473199039 562903726 /nfs/dbraw/zinc/90/37/26/562903726.db2.gz WZRQIRXCUAPYSV-MHPIHPPYSA-N 0 0 525.024 4.616 1 0 KJAFRN 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523.424 4.870 1 0 KJAFRN C[NH2+][C@@H]1CCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)nc43)cn2)C1 ZINC000473213516 562903985 /nfs/dbraw/zinc/90/39/85/562903985.db2.gz WLZPBUMKRQFEKA-QGZVFWFLSA-N 0 0 523.424 4.870 1 0 KJAFRN COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000473215484 562904042 /nfs/dbraw/zinc/90/40/42/562904042.db2.gz PMAXBYMGMQSUFK-UHFFFAOYSA-N 0 0 508.504 4.899 1 0 KJAFRN COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5ccc(P(C)(C)=O)nc5)cnc43)cc2OC)cc1 ZINC000473215485 562904011 /nfs/dbraw/zinc/90/40/11/562904011.db2.gz PMTYXROLPZFSKY-UHFFFAOYSA-N 0 0 543.564 4.798 1 0 KJAFRN CC[C@H](C)NC(=O)[C@H]1c2cccc(-c3ccc(C(=O)NC)cc3)c2CCN1C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1 ZINC000473220485 562904113 /nfs/dbraw/zinc/90/41/13/562904113.db2.gz GWUWBSKBPYQAIO-NZFCYEELSA-N 0 0 616.097 4.535 1 0 KJAFRN CC[C@H](C)NC(=O)[C@@H]1c2cccc(-c3ccc(C(=O)NC)cc3)c2CCN1C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1 ZINC000473220492 562904140 /nfs/dbraw/zinc/90/41/40/562904140.db2.gz 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539.596 4.737 1 0 KJAFRN CC(=O)O[C@H]1CC[C@]2(C)O[C@@H]3[C@H]4[C@H](OC(=O)/C=C/c5ccccc5)[C@H](OC(=O)c5ccccc5)[C@@]1(C)[C@]32OC4(C)C ZINC000653725000 562908976 /nfs/dbraw/zinc/90/89/76/562908976.db2.gz GMJSISPYRQRTPK-ZGIPRAPUSA-N 0 0 560.643 4.904 1 0 KJAFRN Cc1cc(COc2cc(N3CCOCC3)n(C)c(=O)n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000653725350 562908997 /nfs/dbraw/zinc/90/89/97/562908997.db2.gz GXCGDDJEFQPBQL-UHFFFAOYSA-N 0 0 509.912 4.969 1 0 KJAFRN Cn1c(=O)nc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)cc1N1CCOCC1 ZINC000653725353 562909014 /nfs/dbraw/zinc/90/90/14/562909014.db2.gz HGMODZYWSFTDMK-UHFFFAOYSA-N 0 0 513.875 4.800 1 0 KJAFRN O=C(Nc1cc(-c2cccnc2)nc(NCCCN2CCOCC2)n1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000653726556 562909175 /nfs/dbraw/zinc/90/91/75/562909175.db2.gz SWGHSHOUMNMZNI-UHFFFAOYSA-N 0 0 565.394 4.706 1 0 KJAFRN COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[C@H](NC(=O)CO)C2(C)C ZINC000653728690 562909301 /nfs/dbraw/zinc/90/93/01/562909301.db2.gz MDXFROBQUMMBCD-DEOSSOPVSA-N 0 0 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Cc1ccc2c(Cn3cc(COc4ccc(OCc5cn(Cc6cc(=O)oc7cc(C)ccc67)nn5)cc4)nn3)cc(=O)oc2c1 ZINC000653767991 562911697 /nfs/dbraw/zinc/91/16/97/562911697.db2.gz VYYQUUJQHDBXNW-UHFFFAOYSA-N 0 0 616.634 4.954 1 0 KJAFRN CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653768329 562911764 /nfs/dbraw/zinc/91/17/64/562911764.db2.gz XSDAZBZRAFCIHG-UHFFFAOYSA-N 0 0 519.561 4.555 1 0 KJAFRN COC(=O)CN(C(=O)OC(C)(C)C)S(=O)(=O)c1cccc([C@@H](C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1 ZINC000653773135 562911858 /nfs/dbraw/zinc/91/18/58/562911858.db2.gz BXFJTHIPWRNHRN-GOSISDBHSA-N 0 0 570.668 4.733 1 0 KJAFRN COC(=O)CN(C(=O)OC(C)(C)C)S(=O)(=O)c1cccc([C@H](C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1 ZINC000653773136 562911830 /nfs/dbraw/zinc/91/18/30/562911830.db2.gz BXFJTHIPWRNHRN-SFHVURJKSA-N 0 0 570.668 4.733 1 0 KJAFRN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NCCc1ncc[nH]1 ZINC000653773201 562911838 /nfs/dbraw/zinc/91/18/38/562911838.db2.gz QIKLSDUUBBKGCY-IWIPYMOSSA-N 0 0 517.593 4.673 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OC[C@@H]4CCCN4C(=O)OC(C)(C)C)o3)nc2s1 ZINC000653775387 562911874 /nfs/dbraw/zinc/91/18/74/562911874.db2.gz ATRWYCQYGIJKBZ-AWEZNQCLSA-N 0 0 500.577 5.000 1 0 KJAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OC[C@H]4CCCN4C(=O)OC(C)(C)C)o3)nc2s1 ZINC000653775388 562911892 /nfs/dbraw/zinc/91/18/92/562911892.db2.gz ATRWYCQYGIJKBZ-CQSZACIVSA-N 0 0 500.577 5.000 1 0 KJAFRN Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CCN(C)CC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775390 562911868 /nfs/dbraw/zinc/91/18/68/562911868.db2.gz BKLDSUFVHGYTJL-UHFFFAOYSA-N 0 0 601.107 4.821 1 0 KJAFRN Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CCOCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775404 562911876 /nfs/dbraw/zinc/91/18/76/562911876.db2.gz LCMAISSCPSAMAJ-UHFFFAOYSA-N 0 0 588.064 4.905 1 0 KJAFRN Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(NC[C@H](O)CO)nc5)c4)nc(C)n3)cc12 ZINC000653775427 562911873 /nfs/dbraw/zinc/91/18/73/562911873.db2.gz XFUCILZZDUYJKT-UUOWRZLLSA-N 0 0 510.598 4.902 1 0 KJAFRN CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(cccc4C(=O)Nc4ccncc4)c3)n2)c1 ZINC000653780349 562912079 /nfs/dbraw/zinc/91/20/79/562912079.db2.gz DLKFLXPTZNATKG-UHFFFAOYSA-N 0 0 525.590 4.780 1 0 KJAFRN COc1ccc(CNC(=O)CN(C(=O)c2cc3ccccc3[nH]2)[C@@H](C(=O)NC(C)(C)C)c2ccc(OC)cc2)cc1 ZINC000653780469 562912128 /nfs/dbraw/zinc/91/21/28/562912128.db2.gz LHPBDNHRRVWWSN-GDLZYMKVSA-N 0 0 556.663 4.600 1 0 KJAFRN COc1ccc(CNC(=O)CN(C(=O)c2cc3ccccc3[nH]2)[C@H](C(=O)NC(C)(C)C)c2ccc(OC)cc2)cc1 ZINC000653780470 562912122 /nfs/dbraw/zinc/91/21/22/562912122.db2.gz LHPBDNHRRVWWSN-LJAQVGFWSA-N 0 0 556.663 4.600 1 0 KJAFRN COc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000653780509 562912132 /nfs/dbraw/zinc/91/21/32/562912132.db2.gz VZKJWIXECZKRDW-UHFFFAOYSA-N 0 0 531.659 4.968 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(F)c(Cl)c3)ccc21 ZINC000653780752 562912127 /nfs/dbraw/zinc/91/21/27/562912127.db2.gz GKJVUEGKIMXGEW-UHFFFAOYSA-N 0 0 536.995 4.866 1 0 KJAFRN Cn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(F)c(Cl)c3)ccc21 ZINC000653780786 562912151 /nfs/dbraw/zinc/91/21/51/562912151.db2.gz REMHCWHNPKEDLK-UHFFFAOYSA-N 0 0 540.958 4.523 1 0 KJAFRN CCCNC(=O)C1CCN(C(=O)c2c(Br)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653780839 562912162 /nfs/dbraw/zinc/91/21/62/562912162.db2.gz XWHGRBFZHDRTRF-UHFFFAOYSA-N 0 0 518.477 4.901 1 0 KJAFRN CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(cccc4C(=O)NC4CCC4)c3)n2)c1 ZINC000653782579 562912235 /nfs/dbraw/zinc/91/22/35/562912235.db2.gz LIBWQKPWPKSLKV-UHFFFAOYSA-N 0 0 502.596 4.993 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000653782606 562912214 /nfs/dbraw/zinc/91/22/14/562912214.db2.gz SIUIUCHKBUEJJO-UHFFFAOYSA-N 0 0 568.556 4.972 1 0 KJAFRN C[C@H](NC(=O)c1[nH]nc2cc(NCc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ccc21)C(N)=O ZINC000653784915 562912343 /nfs/dbraw/zinc/91/23/43/562912343.db2.gz SAJBOUOVHROFOG-ZDUSSCGKSA-N 0 0 558.948 4.703 1 0 KJAFRN CN(CCN(C)C(=O)c1ccc2ccccc2c1)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000653786021 562912419 /nfs/dbraw/zinc/91/24/19/562912419.db2.gz UBPBISCOTKRJFK-UHFFFAOYSA-N 0 0 525.630 4.876 1 0 KJAFRN O=C(NCCCCNC(=O)c1ccc2ccccc2c1)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000653786024 562912413 /nfs/dbraw/zinc/91/24/13/562912413.db2.gz UTNLNTFUKPHEGO-UHFFFAOYSA-N 0 0 525.630 4.972 1 0 KJAFRN C[C@]12CC3CC(C(=O)N4CCN(c5cc(=O)[nH]c(=O)n5Cc5ccc(OS(=O)(=O)c6cccc7cnccc76)cc5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000653786086 562912397 /nfs/dbraw/zinc/91/23/97/562912397.db2.gz MQYUZFOZFZGAQM-GYPCIODNSA-N 0 0 683.831 4.958 1 0 KJAFRN O=c1c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1CC1CC1 ZINC000653787331 562912452 /nfs/dbraw/zinc/91/24/52/562912452.db2.gz FEYCOHIWGASRGM-UHFFFAOYSA-N 0 0 507.522 4.537 1 0 KJAFRN COc1ccc(Cn2c(C(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)cc3sccc32)cc1 ZINC000653787753 562912490 /nfs/dbraw/zinc/91/24/90/562912490.db2.gz RWYBMPRIRLJRFV-UHFFFAOYSA-N 0 0 501.652 4.971 1 0 KJAFRN CC(C)(O)CNC(=O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)CC1 ZINC000653787771 562912493 /nfs/dbraw/zinc/91/24/93/562912493.db2.gz WPYWTBOVPJKUSG-MEMLXQNLSA-N 0 0 506.672 4.932 1 0 KJAFRN CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)n2)c1 ZINC000653788011 562912487 /nfs/dbraw/zinc/91/24/87/562912487.db2.gz IYTQUGSGHVOQKU-UHFFFAOYSA-N 0 0 531.594 4.988 1 0 KJAFRN Cn1c(=O)c(S(=O)(=O)c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 ZINC000653791263 562912651 /nfs/dbraw/zinc/91/26/51/562912651.db2.gz ARLKBOUALZLKSG-UHFFFAOYSA-N 0 0 500.367 4.693 1 0 KJAFRN Cn1ccc2cc(Nc3ncc4cc(S(=O)(=O)c5ccc(Cl)cc5Cl)c(=O)n(C)c4n3)ccc21 ZINC000653791381 562912670 /nfs/dbraw/zinc/91/26/70/562912670.db2.gz PDUUMGKVNYJYEO-UHFFFAOYSA-N 0 0 514.394 4.703 1 0 KJAFRN CC(=O)Oc1ccc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)cc1OC(C)=O ZINC000653791959 562912698 /nfs/dbraw/zinc/91/26/98/562912698.db2.gz QESBUJOCCNPAGM-PJQLUOCWSA-N 0 0 639.683 4.676 1 0 KJAFRN Cc1cncn1-c1cc(C(=O)Nc2cccc(CNc3ccc4c(c3)n[nH]c4C(=O)N[C@@H](C)C(N)=O)c2)cc(C(F)(F)F)c1 ZINC000653792892 562912735 /nfs/dbraw/zinc/91/27/35/562912735.db2.gz KCKJDURDBLOYPJ-KRWDZBQOSA-N 0 0 604.593 4.544 1 0 KJAFRN CC(=O)Oc1ccc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccccc3)n2)cc1OC(C)=O ZINC000653793706 562912797 /nfs/dbraw/zinc/91/27/97/562912797.db2.gz YFLAPSGWFZRDPH-MHWRWJLKSA-N 0 0 621.693 4.537 1 0 KJAFRN Cn1c(=O)c(Oc2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21 ZINC000653793711 562912823 /nfs/dbraw/zinc/91/28/23/562912823.db2.gz ZRHGYSDRZJXCHG-UHFFFAOYSA-N 0 0 511.413 4.923 1 0 KJAFRN CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(CC(=O)NCc1ccncc1)C(=O)c1cc2ccccc2[nH]1 ZINC000653794381 562912917 /nfs/dbraw/zinc/91/29/17/562912917.db2.gz CKTXSGBKFRFOQO-AREMUKBSSA-N 0 0 532.044 4.631 1 0 KJAFRN CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(CC(=O)NCc1ccncc1)C(=O)c1cc2ccccc2[nH]1 ZINC000653794382 562912909 /nfs/dbraw/zinc/91/29/09/562912909.db2.gz CKTXSGBKFRFOQO-SANMLTNESA-N 0 0 532.044 4.631 1 0 KJAFRN COc1cc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(C)cc3)n2)ccc1OC(C)=O ZINC000653794474 562912914 /nfs/dbraw/zinc/91/29/14/562912914.db2.gz BRAOJDACTFDIIY-LZYBPNLTSA-N 0 0 607.710 4.929 1 0 KJAFRN COc1cc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccccc3)n2)ccc1OC(C)=O ZINC000653794505 562912958 /nfs/dbraw/zinc/91/29/58/562912958.db2.gz LFNCNQHHAWBDBV-MHWRWJLKSA-N 0 0 593.683 4.620 1 0 KJAFRN COc1cc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)ccc1OC(C)=O ZINC000653794511 562912946 /nfs/dbraw/zinc/91/29/46/562912946.db2.gz OLDACUFWYYQUIR-PJQLUOCWSA-N 0 0 611.673 4.760 1 0 KJAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(NS(C)(=O)=O)cc3)nc(N)n2)C(F)(F)F)n1 ZINC000653795157 562913009 /nfs/dbraw/zinc/91/30/09/562913009.db2.gz PUPOESSMOIKNFU-OAQYLSRUSA-N 0 0 552.966 4.927 1 0 KJAFRN CCOC(=O)[C@@H]1[C@@H](c2cc3ccccc3nc2Cl)N[C@@H](c2cc3ccccc3nc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795603 562913069 /nfs/dbraw/zinc/91/30/69/562913069.db2.gz CONZLCVNMLQTHE-KIHHCIJBSA-N 0 0 602.496 4.754 1 0 KJAFRN CCOC(=O)[C@H]1[C@H](c2cc3ccccc3nc2Cl)N[C@@H](c2cc3ccccc3nc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795604 562913076 /nfs/dbraw/zinc/91/30/76/562913076.db2.gz CONZLCVNMLQTHE-NEWJYFPISA-N 0 0 602.496 4.754 1 0 KJAFRN CCOC(=O)[C@H]1[C@@H](c2cc3ccccc3nc2Cl)N[C@@H](c2cc3ccccc3nc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795605 562913054 /nfs/dbraw/zinc/91/30/54/562913054.db2.gz CONZLCVNMLQTHE-WAPCQROESA-N 0 0 602.496 4.754 1 0 KJAFRN CCOC(=O)[C@@H]1[C@H](c2cc3ccccc3nc2Cl)N[C@@H](c2cc3ccccc3nc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795606 562913073 /nfs/dbraw/zinc/91/30/73/562913073.db2.gz CONZLCVNMLQTHE-ZJZGAYNASA-N 0 0 602.496 4.754 1 0 KJAFRN CC(=O)Oc1ccc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(N)(=O)=O)cc3)n(-c3ccc(Br)cc3)n2)cc1OC(C)=O ZINC000653795817 562913114 /nfs/dbraw/zinc/91/31/14/562913114.db2.gz MRFWDBCFIGASGO-LNKIKWGQSA-N 0 0 701.577 4.544 1 0 KJAFRN CC(=O)Oc1ccc(/C=C/C(=O)NCCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)cc1OC(C)=O ZINC000653799580 562913292 /nfs/dbraw/zinc/91/32/92/562913292.db2.gz JGJCEFSNGGQSOF-OMCISZLKSA-N 0 0 652.726 4.639 1 0 KJAFRN Cn1c(SCCCN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-n2cnnc2)cc1 ZINC000653799659 562913323 /nfs/dbraw/zinc/91/33/23/562913323.db2.gz IHKSAHBRVXUIPJ-JOCHJYFZSA-N 0 0 529.592 4.637 1 0 KJAFRN Cn1c(SCCCN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-n2cnnc2)cc1 ZINC000653799660 562913336 /nfs/dbraw/zinc/91/33/36/562913336.db2.gz IHKSAHBRVXUIPJ-QFIPXVFZSA-N 0 0 529.592 4.637 1 0 KJAFRN Cc1nc2cc(Nc3nc(Nc4ccc(F)cc4)nc(N4CCN(C)CC4)n3)ccc2n1Cc1ccccc1 ZINC000653799722 562913375 /nfs/dbraw/zinc/91/33/75/562913375.db2.gz ZPJGCXRVXZJXCO-UHFFFAOYSA-N 0 0 523.620 4.956 1 0 KJAFRN NS(=O)(=O)c1ccc(-c2nc(SCCOC(=O)/C=C/c3ccccc3)nn2-c2ccc(Br)cc2)cc1 ZINC000653801638 562913424 /nfs/dbraw/zinc/91/34/24/562913424.db2.gz SNDNGILJVVLUQG-GIDUJCDVSA-N 0 0 585.505 4.693 1 0 KJAFRN NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1Br ZINC000653802050 562913426 /nfs/dbraw/zinc/91/34/26/562913426.db2.gz OTSQORVTZJXEFY-UHFFFAOYSA-N 0 0 639.216 4.582 1 0 KJAFRN Cc1ccc(-c2cn(-c3ccc(CN4CCOCC4)cc3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653802060 562913445 /nfs/dbraw/zinc/91/34/45/562913445.db2.gz RUSAXVPZMANXDJ-UHFFFAOYSA-N 0 0 504.598 4.671 1 0 KJAFRN O=C(c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000653802164 562913469 /nfs/dbraw/zinc/91/34/69/562913469.db2.gz AXKYUZRMNWDYPW-UHFFFAOYSA-N 0 0 523.614 4.630 1 0 KJAFRN Cc1nc2ccc(Nc3nc(NCCN4CCOCC4)nc(Nc4ccc(F)cc4)n3)cc2n1Cc1ccccc1 ZINC000653803563 562913518 /nfs/dbraw/zinc/91/35/18/562913518.db2.gz AJICNWHLWLMLAC-UHFFFAOYSA-N 0 0 553.646 4.948 1 0 KJAFRN Nc1nc(C(=O)NCc2cccc3cc(C(=O)NCCCCCc4ccccc4)cnc32)c2cccc(F)c2n1 ZINC000653803754 562913566 /nfs/dbraw/zinc/91/35/66/562913566.db2.gz UVHNHXMAXCQYMP-UHFFFAOYSA-N 0 0 536.611 4.972 1 0 KJAFRN O=C(/C=C/c1ccc(OC(=O)c2ccccc2)cc1)N[C@@H](COC(=O)c1ccccc1)C(=O)NC1CCCCC1 ZINC000653804923 562913602 /nfs/dbraw/zinc/91/36/02/562913602.db2.gz QERLABTUMHYNLY-XGLNBYONSA-N 0 0 540.616 4.710 1 0 KJAFRN CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4cc(N)ncc4Cl)sc32)c1 ZINC000653806319 562913727 /nfs/dbraw/zinc/91/37/27/562913727.db2.gz RYKXFQZROPRKSX-HSZRJFAPSA-N 0 0 529.087 4.993 1 0 KJAFRN CC[C@H]1c2cccc(-c3ccccc3)c2CCN1C(=O)C(=O)c1c[nH]c2c1c(OC)cnc2-n1cnc(C)n1 ZINC000653808347 562913762 /nfs/dbraw/zinc/91/37/62/562913762.db2.gz LEGUIRKJIOSANJ-DEOSSOPVSA-N 0 0 520.593 4.846 1 0 KJAFRN CC[C@@H]1c2cccc(-c3ccccc3)c2CCN1C(=O)C(=O)c1c[nH]c2c1c(OC)cnc2-n1cnc(C)n1 ZINC000653808349 562913763 /nfs/dbraw/zinc/91/37/63/562913763.db2.gz LEGUIRKJIOSANJ-XMMPIXPASA-N 0 0 520.593 4.846 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCC(=O)Nc1c(C)cccc1Cl ZINC000653808724 562913733 /nfs/dbraw/zinc/91/37/33/562913733.db2.gz BPCNHEPEJIELGJ-FYCNXDEQSA-N 0 0 566.006 4.889 1 0 KJAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)nc(C)n2)C(F)(F)F)n1 ZINC000653809984 562913777 /nfs/dbraw/zinc/91/37/77/562913777.db2.gz IAAMLOSMBWPORX-AUSIDOKSSA-N 0 0 564.996 4.648 1 0 KJAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)nc(C)n2)C(F)(F)F)n1 ZINC000653809986 562913769 /nfs/dbraw/zinc/91/37/69/562913769.db2.gz IAAMLOSMBWPORX-WMZHIEFXSA-N 0 0 564.996 4.648 1 0 KJAFRN CCCNC(=O)C1CCN(C(=O)c2cc3sc(Br)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653811150 562913879 /nfs/dbraw/zinc/91/38/79/562913879.db2.gz YMWXSIQNJAPHTQ-UHFFFAOYSA-N 0 0 518.477 4.901 1 0 KJAFRN Cn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3cccc(C(F)(F)F)c3)ccc21 ZINC000653812649 562913881 /nfs/dbraw/zinc/91/38/81/562913881.db2.gz NVCZRAQLGZLGRG-UHFFFAOYSA-N 0 0 538.530 4.610 1 0 KJAFRN Cn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3ccccc3C(F)(F)F)ccc21 ZINC000653812659 562913886 /nfs/dbraw/zinc/91/38/86/562913886.db2.gz OGTZGJDNRMVVLA-UHFFFAOYSA-N 0 0 538.530 4.610 1 0 KJAFRN O=C(/C=C/c1ccc(OC(=O)c2ccccc2)cc1)N[C@H](COC(=O)c1ccccc1)C(=O)NC1CCCCC1 ZINC000653813187 562913892 /nfs/dbraw/zinc/91/38/92/562913892.db2.gz QERLABTUMHYNLY-BFKDBJQSSA-N 0 0 540.616 4.710 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000653813200 562913920 /nfs/dbraw/zinc/91/39/20/562913920.db2.gz VZTVXIAJJDNNTN-GLMMHSNRSA-N 0 0 551.979 4.581 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCC(=O)Nc1ccccc1Cl ZINC000653813204 562913900 /nfs/dbraw/zinc/91/39/00/562913900.db2.gz WHWKPGSUZOEYBC-GLMMHSNRSA-N 0 0 551.979 4.581 1 0 KJAFRN COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)N(C)c3ccccc3)c(OC)c2)cc1OC ZINC000653813360 562913962 /nfs/dbraw/zinc/91/39/62/562913962.db2.gz RTVUEAIZRRCPTL-JTHBVZDNSA-N 0 0 505.567 4.922 1 0 KJAFRN CC(C)C[C@](O)(c1nc(-n2ccc(NC(=O)c3cscn3)cc2=O)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000653819695 562914063 /nfs/dbraw/zinc/91/40/63/562914063.db2.gz VEYOCGAKDPCFHN-HSZRJFAPSA-N 0 0 517.533 4.570 1 0 KJAFRN CC(C)C[C@@](O)(c1nc(-n2ccc(NC(=O)c3cscn3)cc2=O)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000653819696 562914080 /nfs/dbraw/zinc/91/40/80/562914080.db2.gz VEYOCGAKDPCFHN-QHCPKHFHSA-N 0 0 517.533 4.570 1 0 KJAFRN CC(C)O[C@H](c1nc(-n2ccc(NC(=O)c3cscn3)cc2=O)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000653820979 562914074 /nfs/dbraw/zinc/91/40/74/562914074.db2.gz CRTDQIANPFWARB-FQEVSTJZSA-N 0 0 503.506 4.803 1 0 KJAFRN CC(C)O[C@@H](c1nc(-n2ccc(NC(=O)c3cscn3)cc2=O)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000653820983 562914098 /nfs/dbraw/zinc/91/40/98/562914098.db2.gz CRTDQIANPFWARB-HXUWFJFHSA-N 0 0 503.506 4.803 1 0 KJAFRN COc1cc([C@H]2C3=C(COC3=O)N(Cc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821631 562914111 /nfs/dbraw/zinc/91/41/11/562914111.db2.gz ATLMKNQSSCOAMW-RUZDIDTESA-N 0 0 505.498 4.543 1 0 KJAFRN COc1cc([C@@H]2C3=C(COC3=O)N(Cc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821632 562914107 /nfs/dbraw/zinc/91/41/07/562914107.db2.gz ATLMKNQSSCOAMW-VWLOTQADSA-N 0 0 505.498 4.543 1 0 KJAFRN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc3nc4oc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5)cc4nc3o2)c[nH]1)C(C)C ZINC000653822819 562914195 /nfs/dbraw/zinc/91/41/95/562914195.db2.gz KZALVXJHMNRQCV-LSGCGUROSA-N 0 0 744.810 4.837 1 0 KJAFRN Cc1cccc(C)c1CCNC(=O)c1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc3n[nH]cc3c2)ccc1F ZINC000653823167 562914256 /nfs/dbraw/zinc/91/42/56/562914256.db2.gz QTCMCOOGSCOKGD-HHHXNRCGSA-N 0 0 540.599 4.558 1 0 KJAFRN NC(=O)c1ccc2c(c1)nc(-c1ccncc1)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000653823203 562914227 /nfs/dbraw/zinc/91/42/27/562914227.db2.gz BHZRHDOUINRQMH-DLBZAZTESA-N 0 0 524.444 4.935 1 0 KJAFRN O=c1c(F)cn(Cc2nc3ccccc3n2Cc2ccccc2Cl)c(=O)n1Cc1ccccc1Cl ZINC000653823213 562914254 /nfs/dbraw/zinc/91/42/54/562914254.db2.gz FXTSDBJHQSEQEM-UHFFFAOYSA-N 0 0 509.368 4.951 1 0 KJAFRN NC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000653823222 562914290 /nfs/dbraw/zinc/91/42/90/562914290.db2.gz JAZDLKAIAATJKT-JKSUJKDBSA-N 0 0 524.444 4.935 1 0 KJAFRN O=c1c(F)cn(Cc2nc3ccccc3n2Cc2cccc(Cl)c2)c(=O)n1Cc1cccc(Cl)c1 ZINC000653823224 562914277 /nfs/dbraw/zinc/91/42/77/562914277.db2.gz JNGKMZJSLBGZFY-UHFFFAOYSA-N 0 0 509.368 4.951 1 0 KJAFRN COc1cc([C@H]2C3=C(COC3=O)N(CCc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823254 562914294 /nfs/dbraw/zinc/91/42/94/562914294.db2.gz QKZMMHWJKCYXEJ-AREMUKBSSA-N 0 0 519.525 4.586 1 0 KJAFRN COc1cc([C@@H]2C3=C(COC3=O)N(CCc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823255 562914295 /nfs/dbraw/zinc/91/42/95/562914295.db2.gz QKZMMHWJKCYXEJ-SANMLTNESA-N 0 0 519.525 4.586 1 0 KJAFRN O=c1c(F)cn(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(Cl)cc1 ZINC000653823284 562914279 /nfs/dbraw/zinc/91/42/79/562914279.db2.gz VTQOOVQJIPWUCQ-UHFFFAOYSA-N 0 0 509.368 4.951 1 0 KJAFRN NC(=O)c1ccc2c(c1)nc(-c1cccnc1)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000653823302 562914288 /nfs/dbraw/zinc/91/42/88/562914288.db2.gz XUIJWVCVYZAKCU-DLBZAZTESA-N 0 0 524.444 4.935 1 0 KJAFRN O=C(NCc1ccccn1)c1cccc2[nH]c(-c3cc(Br)nn3-c3ncccc3Cl)nc21 ZINC000653823304 562914259 /nfs/dbraw/zinc/91/42/59/562914259.db2.gz YGWRUHHXNSHZEJ-UHFFFAOYSA-N 0 0 508.767 4.552 1 0 KJAFRN Cc1cccc(C)c1CNC(=O)c1cc([C@H]2NC(=O)NC(C)=C2C(=O)N(C)c2ccc3n[nH]cc3c2)ccc1F ZINC000653825226 562914352 /nfs/dbraw/zinc/91/43/52/562914352.db2.gz FQDUDXKZLXZCSH-HHHXNRCGSA-N 0 0 540.599 4.540 1 0 KJAFRN Cc1cccc(C)c1CNC(=O)c1cc([C@@H]2NC(=O)NC(C)=C2C(=O)N(C)c2ccc3n[nH]cc3c2)ccc1F ZINC000653825227 562914346 /nfs/dbraw/zinc/91/43/46/562914346.db2.gz FQDUDXKZLXZCSH-MHZLTWQESA-N 0 0 540.599 4.540 1 0 KJAFRN CNC(=O)c1ccc2c(c1)nc(-c1cc[nH]n1)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000653825399 562914399 /nfs/dbraw/zinc/91/43/99/562914399.db2.gz NCATWCHZMZOKOU-LSDHHAIUSA-N 0 0 527.448 4.524 1 0 KJAFRN O=C(Nc1ccc(F)cc1)Nc1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3o2)cc1 ZINC000653826075 562914406 /nfs/dbraw/zinc/91/44/06/562914406.db2.gz HXMHUBQPOCNMBR-UHFFFAOYSA-N 0 0 505.550 4.934 1 0 KJAFRN O=C(Nc1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3o2)cc1)Nc1cccc(F)c1 ZINC000653826117 562914448 /nfs/dbraw/zinc/91/44/48/562914448.db2.gz ZSESWDVDRHYLGM-UHFFFAOYSA-N 0 0 505.550 4.934 1 0 KJAFRN CN(C)c1cccc2c1cccc2S(=O)(=O)NC(=N)NCCCCCCCCN1CCCCCCCCNC(N)=NC1=O ZINC000653827921 562914464 /nfs/dbraw/zinc/91/44/64/562914464.db2.gz LTLSQDGVWQKPKD-UHFFFAOYSA-N 0 0 614.861 4.939 1 0 KJAFRN CNC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](NC(=O)c2cnc(Br)s2)C1 ZINC000653829305 562914468 /nfs/dbraw/zinc/91/44/68/562914468.db2.gz BWCYVQCGLYVWLO-JKSUJKDBSA-N 0 0 539.459 4.591 1 0 KJAFRN CN(C)C(=O)c1ccc(N2CCC(C3CCN(C(=O)[C@](O)(c4ccccc4)C(F)(F)F)CC3)CC2)cc1Cl ZINC000653830109 562914517 /nfs/dbraw/zinc/91/45/17/562914517.db2.gz JFGUQJWIGPIGJG-HHHXNRCGSA-N 0 0 552.037 4.947 1 0 KJAFRN COc1ccc(NC(=O)Nc2ccc(CNc3nc4ccc(OCCN5CCOCC5)cc4o3)cc2)cc1 ZINC000653831315 562914579 /nfs/dbraw/zinc/91/45/79/562914579.db2.gz NCUPNTIZVKOWLK-UHFFFAOYSA-N 0 0 517.586 4.804 1 0 KJAFRN COc1ccc(C(=O)n2c(C)c(-c3cn(C(C)=O)c4ccccc34)c(=O)n2C(=O)c2ccc(OC)cc2)cc1 ZINC000653834941 562914631 /nfs/dbraw/zinc/91/46/31/562914631.db2.gz CAIGKXIOQAHSSG-UHFFFAOYSA-N 0 0 523.545 4.634 1 0 KJAFRN NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C/c4ccccc4)N=C3c3ccc(Cl)cc3)cs2)cc1 ZINC000653834956 562914684 /nfs/dbraw/zinc/91/46/84/562914684.db2.gz HTHJCNKYRGBTHU-STZFKDTASA-N 0 0 551.053 4.845 1 0 KJAFRN NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1 ZINC000653834988 562914665 /nfs/dbraw/zinc/91/46/65/562914665.db2.gz WGYODMUMBPFNHV-STZFKDTASA-N 0 0 551.053 4.845 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CCC(=O)OCc3ccc(F)cc3)nn1)CC2 ZINC000653841618 562914857 /nfs/dbraw/zinc/91/48/57/562914857.db2.gz AMOYHLSAPNOBPS-VWLOTQADSA-N 0 0 589.620 4.690 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CCC(=O)OCc3cccc(F)c3)nn1)CC2 ZINC000653841633 562914867 /nfs/dbraw/zinc/91/48/67/562914867.db2.gz FXFZESWBDLTXAF-VWLOTQADSA-N 0 0 589.620 4.690 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3c(C)cccc3C)ccc21 ZINC000653842113 562914891 /nfs/dbraw/zinc/91/48/91/562914891.db2.gz JBYKSDBYLCMNSX-UHFFFAOYSA-N 0 0 530.604 4.830 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3cc(C)ccc3C)ccc21 ZINC000653842123 562914899 /nfs/dbraw/zinc/91/48/99/562914899.db2.gz LRRQJFKBALPUET-UHFFFAOYSA-N 0 0 530.604 4.830 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3cc(C)cc(C)c3)ccc21 ZINC000653842128 562914903 /nfs/dbraw/zinc/91/49/03/562914903.db2.gz MTMNAXKPGCKSRS-UHFFFAOYSA-N 0 0 530.604 4.830 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(C)cc3C)ccc21 ZINC000653842131 562914897 /nfs/dbraw/zinc/91/48/97/562914897.db2.gz NPCKZBFOXCLOCY-UHFFFAOYSA-N 0 0 530.604 4.830 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(C)c(F)c3)ccc21 ZINC000653842144 562914930 /nfs/dbraw/zinc/91/49/30/562914930.db2.gz QZCMGMXLKJFQSV-UHFFFAOYSA-N 0 0 534.567 4.660 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3cccc(C)c3C)ccc21 ZINC000653842158 562914922 /nfs/dbraw/zinc/91/49/22/562914922.db2.gz WMCBBKJGFHGOKT-UHFFFAOYSA-N 0 0 530.604 4.830 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(F)c(C)c3)ccc21 ZINC000653842169 562914953 /nfs/dbraw/zinc/91/49/53/562914953.db2.gz ZJYQLNYOUKWWMS-UHFFFAOYSA-N 0 0 534.567 4.660 1 0 KJAFRN NC(=O)c1ccc(OC(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c2ccccc12 ZINC000653842749 562914915 /nfs/dbraw/zinc/91/49/15/562914915.db2.gz GFRVMVDESKRPSW-UHFFFAOYSA-N 0 0 515.441 4.936 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(C)cc3)ccc21 ZINC000653842826 562914977 /nfs/dbraw/zinc/91/49/77/562914977.db2.gz GYYSRKQRVPZDGA-UHFFFAOYSA-N 0 0 516.577 4.521 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(C)c(C)c3)ccc21 ZINC000653842864 562914980 /nfs/dbraw/zinc/91/49/80/562914980.db2.gz RZCXFXIGMCMLSG-UHFFFAOYSA-N 0 0 530.604 4.830 1 0 KJAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3cccc(C)c3)ccc21 ZINC000653842869 562914957 /nfs/dbraw/zinc/91/49/57/562914957.db2.gz TVKMOQGTKWVLEX-UHFFFAOYSA-N 0 0 516.577 4.521 1 0 KJAFRN O=C(Cn1cc(COc2nc(-c3ccccc3)nc3nc(C(F)(F)F)ccc32)nn1)Nc1ccccc1 ZINC000653845076 562915077 /nfs/dbraw/zinc/91/50/77/562915077.db2.gz HQDLMICLMRDHMD-UHFFFAOYSA-N 0 0 505.460 4.520 1 0 KJAFRN COc1cc(-n2cc(COc3nc(-c4ccccc4)nc4nc(C(F)(F)F)ccc43)nn2)cc(OC)c1OC ZINC000653845459 562915192 /nfs/dbraw/zinc/91/51/92/562915192.db2.gz LHKACSLOOYLUMA-UHFFFAOYSA-N 0 0 538.486 4.896 1 0 KJAFRN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2)on1 ZINC000653845466 562915200 /nfs/dbraw/zinc/91/52/00/562915200.db2.gz PBLLMTFVSWFKIF-UHFFFAOYSA-N 0 0 512.610 4.575 1 0 KJAFRN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2SC)c1 ZINC000653845477 562915177 /nfs/dbraw/zinc/91/51/77/562915177.db2.gz UGWGOOAEFJICES-UHFFFAOYSA-N 0 0 534.642 4.536 1 0 KJAFRN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(=O)CC)CC4)cc3OC)ncc2SC)c1 ZINC000653846609 562915268 /nfs/dbraw/zinc/91/52/68/562915268.db2.gz WAZLQAVHYOQHHY-UHFFFAOYSA-N 0 0 548.669 4.926 1 0 KJAFRN Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2Nc2c(=O)c(=O)c2NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000653847600 562915297 /nfs/dbraw/zinc/91/52/97/562915297.db2.gz AQYPWCCLOKODKJ-WOJBJXKFSA-N 0 0 589.558 4.942 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CCC(=O)OCc3ccccc3)nn1)CC2 ZINC000653847668 562915277 /nfs/dbraw/zinc/91/52/77/562915277.db2.gz UOSJECABIQMGNZ-VWLOTQADSA-N 0 0 571.630 4.551 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CCC(=O)OCc3ccccc3F)nn1)CC2 ZINC000653848723 562915346 /nfs/dbraw/zinc/91/53/46/562915346.db2.gz MENUHZZWKAJGFK-VWLOTQADSA-N 0 0 589.620 4.690 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(COC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)nn1)CC2 ZINC000653848899 562915354 /nfs/dbraw/zinc/91/53/54/562915354.db2.gz DENJEQXSFHWXHU-ZEQRLZLVSA-N 0 0 670.785 4.565 1 0 KJAFRN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCCN(C(C)=O)CC4)cc3OC)ncc2SC)c1 ZINC000653848945 562915366 /nfs/dbraw/zinc/91/53/66/562915366.db2.gz MTXGVGJDJNQPCL-UHFFFAOYSA-N 0 0 548.669 4.926 1 0 KJAFRN COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc2ccccc2)n2cc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)nn2)cc1 ZINC000653849319 562915419 /nfs/dbraw/zinc/91/54/19/562915419.db2.gz XHKGWTXTLQTTQA-TWJUONSBSA-N 0 0 706.866 4.691 1 0 KJAFRN [NH2+]=C(NCc1c(Oc2cccc(C(F)(F)F)c2)cccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653850179 562915459 /nfs/dbraw/zinc/91/54/59/562915459.db2.gz PBFJOKYKMWOCIY-DEOSSOPVSA-N 0 0 583.611 4.897 1 0 KJAFRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cn([C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)nn1 ZINC000653850788 562915519 /nfs/dbraw/zinc/91/55/19/562915519.db2.gz ARZCYBDYZBBPGQ-KADOZOMVSA-N 0 0 652.745 4.858 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(COC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)nn1)CC2 ZINC000653850813 562915514 /nfs/dbraw/zinc/91/55/14/562915514.db2.gz IYNVBWFQGMQOOK-DQEYMECFSA-N 0 0 652.745 4.858 1 0 KJAFRN COc1nc(C)c(Nc2nc(Cl)cn([C@H](COc3cc(Br)ccn3)C3CC3)c2=O)cc1C ZINC000653851656 562915572 /nfs/dbraw/zinc/91/55/72/562915572.db2.gz PDCUCRPTBJHFDJ-QGZVFWFLSA-N 0 0 520.815 4.848 1 0 KJAFRN COC(=O)c1ccccc1NC(=O)Cn1c(=O)c(NC(=O)NC(C)(C)C)nc(Cl)c1CCC1CCCCC1 ZINC000653854044 562915710 /nfs/dbraw/zinc/91/57/10/562915710.db2.gz VUZVGMWQLSUSLO-UHFFFAOYSA-N 0 0 546.068 4.755 1 0 KJAFRN COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN(S(=O)(=O)c6ccc(C)cc6)CC5)ccc43)n[nH]2)cc(OC)c1 ZINC000653854364 562915681 /nfs/dbraw/zinc/91/56/81/562915681.db2.gz AJKRPGVHPSZBTL-UHFFFAOYSA-N 0 0 613.744 4.718 1 0 KJAFRN C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ncnc3c2cc(C(=O)OCc2ccccc2)n3C)cc1 ZINC000653856158 562915743 /nfs/dbraw/zinc/91/57/43/562915743.db2.gz ASWHWIOVGCDORU-SFHVURJKSA-N 0 0 529.597 4.844 1 0 KJAFRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CN6C(=O)C(=O)c7cc(F)ccc76)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653859549 562915898 /nfs/dbraw/zinc/91/58/98/562915898.db2.gz BQFMWMDYXURCKR-RIWGJCQISA-N 0 0 574.653 4.590 1 0 KJAFRN COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C(C)C)c3)cn2)cc1 ZINC000653859590 562915903 /nfs/dbraw/zinc/91/59/03/562915903.db2.gz OQFYSQNDOYBGSH-WEVVVXLNSA-N 0 0 639.757 4.548 1 0 KJAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cccc(C(F)(F)F)c4)nc3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000653859660 562915945 /nfs/dbraw/zinc/91/59/45/562915945.db2.gz JQKYPECJCVXPED-SOFGYWHQSA-N 0 0 649.674 4.514 1 0 KJAFRN Cn1c2ccccc2nc1-c1cc(N2CCc3sc(C(=O)N4CCN(C)CC4)cc3C2)ccc1Cl ZINC000653861032 562915927 /nfs/dbraw/zinc/91/59/27/562915927.db2.gz FMPVKBVJYLSHDT-UHFFFAOYSA-N 0 0 506.075 4.906 1 0 KJAFRN COc1cc(OC)cc(C(=O)O[C@H]2c3cc(OC)c(OC)c(OC)c3-c3c(cc4c(c3OC)OCO4)C[C@H](C)[C@]2(C)O)c1 ZINC000653861036 562915938 /nfs/dbraw/zinc/91/59/38/562915938.db2.gz FXONBNIOOJHHOW-ALQCUZADSA-N 0 0 596.629 4.975 1 0 KJAFRN C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(-n5cc(Cc6ccccc6)nn5)c4s3)CC2)O1 ZINC000653861894 562916066 /nfs/dbraw/zinc/91/60/66/562916066.db2.gz YHXWKMMNUWSMAA-INIZCTEOSA-N 0 0 543.571 4.579 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)[C@@H](Cc3ccccc3)N3C(=O)c5ccccc5C3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000653862823 562916048 /nfs/dbraw/zinc/91/60/48/562916048.db2.gz OOMFMCJGQBOHTK-KHNFVELGSA-N 0 0 691.689 4.868 1 0 KJAFRN COc1cc([C@H]2c3cc4c(cc3[C@H](OC(=O)[C@H](Cc3ccccc3)N3C(=O)c5ccccc5C3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000653862831 562916064 /nfs/dbraw/zinc/91/60/64/562916064.db2.gz OOMFMCJGQBOHTK-MSPHBYOOSA-N 0 0 691.689 4.868 1 0 KJAFRN COc1cc([C@H]2c3cc4c(cc3[C@H](OC(=O)[C@@H](Cc3ccccc3)N3C(=O)c5ccccc5C3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000653862835 562916062 /nfs/dbraw/zinc/91/60/62/562916062.db2.gz OOMFMCJGQBOHTK-NLWZFNKBSA-N 0 0 691.689 4.868 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)[C@H](Cc3ccccc3)N3C(=O)c5ccccc5C3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000653862836 562916063 /nfs/dbraw/zinc/91/60/63/562916063.db2.gz OOMFMCJGQBOHTK-RTRVVWMWSA-N 0 0 691.689 4.868 1 0 KJAFRN Cc1cc(C(=O)N[C@H](C(=O)C[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C/C(=O)N2CCc3cc(Cl)ccc32)C[C@@H]2CCNC2=O)C(C)C)no1 ZINC000653862851 562916067 /nfs/dbraw/zinc/91/60/67/562916067.db2.gz PRCMIFZAKJHNSC-ZCMDQNILSA-N 0 0 706.215 4.505 1 0 KJAFRN COc1cc([C@H]2c3cc4c(cc3[C@H](OC(=O)[C@H](Cc3ccccc3)N3C(=O)[C@@H]5CCCC[C@@H]5C3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000653863938 562916081 /nfs/dbraw/zinc/91/60/81/562916081.db2.gz CYZVLVGFHRNOED-DDJGVKQJSA-N 0 0 697.737 4.747 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)[C@H](Cc3ccccc3)N3C(=O)[C@H]5CCCC[C@@H]5C3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000653863939 562916084 /nfs/dbraw/zinc/91/60/84/562916084.db2.gz CYZVLVGFHRNOED-QCYBSACUSA-N 0 0 697.737 4.747 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)[C@H](Cc3ccccc3)N3C(=O)[C@@H]5CCCC[C@@H]5C3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000653863940 562916088 /nfs/dbraw/zinc/91/60/88/562916088.db2.gz CYZVLVGFHRNOED-SVJGCOCDSA-N 0 0 697.737 4.747 1 0 KJAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)[C@H](Cc3ccccc3)N3C(=O)[C@@H]5CCCC[C@H]5C3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000653863941 562916089 /nfs/dbraw/zinc/91/60/89/562916089.db2.gz CYZVLVGFHRNOED-XEYMKTMYSA-N 0 0 697.737 4.747 1 0 KJAFRN Cc1cc(-c2cnn3c2nc(Nc2cccc(F)c2)nc3NCC2CCOCC2)ccc1C(=O)NC1CC1 ZINC000653863982 562916086 /nfs/dbraw/zinc/91/60/86/562916086.db2.gz TXGCEDYNBXDZEI-UHFFFAOYSA-N 0 0 515.593 4.713 1 0 KJAFRN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccoc1 ZINC000653864087 562916145 /nfs/dbraw/zinc/91/61/45/562916145.db2.gz XDXBGQLIAZWKBT-CEWCKNIXSA-N 0 0 526.538 4.551 1 0 KJAFRN COc1cccc(C(=O)O[C@H]2c3cc(OC)c(OC)c(OC)c3-c3c(cc4c(c3OC)OCO4)C[C@H](C)[C@]2(C)O)c1 ZINC000653866649 562916242 /nfs/dbraw/zinc/91/62/42/562916242.db2.gz TXTWWHRCVSEOPE-ORTIVYRPSA-N 0 0 566.603 4.967 1 0 KJAFRN O=C(Cc1ccc(O)cc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(OC(F)(F)F)c3)s2)s1 ZINC000653869563 562916361 /nfs/dbraw/zinc/91/63/61/562916361.db2.gz TYRFJFYJOSBEQX-UHFFFAOYSA-N 0 0 592.625 4.922 1 0 KJAFRN CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1cc(C(F)(F)F)n(C)n1)C(=O)N1CCN(c2ccccc2OCCO)CC1 ZINC000653872515 562916477 /nfs/dbraw/zinc/91/64/77/562916477.db2.gz MLIOKKGWRLODRJ-NEEKEDPPSA-N 0 0 712.692 4.795 1 0 KJAFRN O=C(N[C@@H](C(=O)Nc1ccc2c(c1)/C(=C/c1ncc[nH]1)C(=O)N2)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O ZINC000653873025 562916501 /nfs/dbraw/zinc/91/65/01/562916501.db2.gz YJJQSVYIXFVOTA-DERLZNSQSA-N 0 0 606.589 4.500 1 0 KJAFRN CCOc1cc2ncnc(Nc3ccc(OCC4CC4)c(Cl)c3)c2cc1NC(=O)[C@H]1NC(=O)O[C@@H]1C ZINC000653873824 562916566 /nfs/dbraw/zinc/91/65/66/562916566.db2.gz URMSSDZYTPTSEG-DMZKTXOQSA-N 0 0 511.966 4.650 1 0 KJAFRN O=C(CN1c2cc(Cl)ccc2-c2[nH]c3ccc(Br)cc3c2CC1=O)NCc1ccccn1 ZINC000653876625 562916683 /nfs/dbraw/zinc/91/66/83/562916683.db2.gz ILSPFMXMNHEJNX-UHFFFAOYSA-N 0 0 509.791 4.851 1 0 KJAFRN COc1ccc(CC[C@H](NC(=O)c2ccc(N)c(CCc3ccc(O)cc3)c2)C(=O)OC(C)(C)C)cc1 ZINC000653882322 562916820 /nfs/dbraw/zinc/91/68/20/562916820.db2.gz LEMGJOBLEMBULD-MHZLTWQESA-N 0 0 504.627 4.841 1 0 KJAFRN O=C(CN1c2cc(Cl)ccc2-c2[nH]c3ccc(Br)cc3c2CC1=O)NCc1cccnc1 ZINC000653887789 562917081 /nfs/dbraw/zinc/91/70/81/562917081.db2.gz CZCLBPIPVPHEJE-UHFFFAOYSA-N 0 0 509.791 4.851 1 0 KJAFRN O=C(CN1c2cc(Cl)ccc2-c2[nH]c3ccc(Br)cc3c2CC1=O)NCc1ccncc1 ZINC000653887801 562917092 /nfs/dbraw/zinc/91/70/92/562917092.db2.gz GNEFQEGKODIKMJ-UHFFFAOYSA-N 0 0 509.791 4.851 1 0 KJAFRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000653889639 562917131 /nfs/dbraw/zinc/91/71/31/562917131.db2.gz TXTXUJCZFZSISJ-SVBPBHIXSA-N 0 0 553.659 4.839 1 0 KJAFRN COc1cc(-c2nnc3n2CCC[C@@]32c3ccccc3N(CC(F)(F)F)C2=O)ccc1-c1cnc(C)o1 ZINC000653890253 562917167 /nfs/dbraw/zinc/91/71/67/562917167.db2.gz FRCWNPCHTTWRAD-RUZDIDTESA-N 0 0 509.488 4.906 1 0 KJAFRN COc1cc(-c2nnc3n2CCC[C@]32c3ccccc3N(CC(F)(F)F)C2=O)ccc1-c1cnc(C)o1 ZINC000653890254 562917178 /nfs/dbraw/zinc/91/71/78/562917178.db2.gz FRCWNPCHTTWRAD-VWLOTQADSA-N 0 0 509.488 4.906 1 0 KJAFRN COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(C(C)=O)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000653891191 562917229 /nfs/dbraw/zinc/91/72/29/562917229.db2.gz XHAVFVHOBKRNJP-UHFFFAOYSA-N 0 0 591.697 4.639 1 0 KJAFRN COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C(C)C)c4)n(C)c3)cn2)cc1 ZINC000653893422 562917275 /nfs/dbraw/zinc/91/72/75/562917275.db2.gz DZDCXQBDYZYLTR-WEVVVXLNSA-N 0 0 639.757 4.548 1 0 KJAFRN CC[C@@H](C)n1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(OC)cc4)nc3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000653894775 562917243 /nfs/dbraw/zinc/91/72/43/562917243.db2.gz DWCIQUVBGZUZHP-GZKVFJCDSA-N 0 0 653.784 4.938 1 0 KJAFRN CC[C@H](C)n1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(OC)cc4)nc3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000653894776 562917271 /nfs/dbraw/zinc/91/72/71/562917271.db2.gz DWCIQUVBGZUZHP-ZYJSVEMRSA-N 0 0 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/nfs/dbraw/zinc/91/78/63/562917863.db2.gz FCKSLAFXXUZLQM-UHFFFAOYSA-N 0 0 535.677 4.617 1 0 KJAFRN CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1 ZINC000653915979 562917873 /nfs/dbraw/zinc/91/78/73/562917873.db2.gz NVLFFNXAPBKSPE-KCWPFWIISA-N 0 0 571.682 4.564 1 0 KJAFRN Nc1ccc(OCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653915989 562917868 /nfs/dbraw/zinc/91/78/68/562917868.db2.gz OILHLKALMUGQKS-UHFFFAOYSA-N 0 0 629.719 4.919 1 0 KJAFRN COC(=O)CN(c1ccc(CN(c2ccc(OCc3ccccc3)c(C(=O)OC)c2)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000653916360 562917877 /nfs/dbraw/zinc/91/78/77/562917877.db2.gz DZTSPUIXGGCGGS-UHFFFAOYSA-N 0 0 666.774 4.528 1 0 KJAFRN COC(=O)CN(c1ccc(CN(c2ccc(OCc3ccccc3)cc2)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000653916411 562917908 /nfs/dbraw/zinc/91/79/08/562917908.db2.gz VAXWAOWBTJXBRG-UHFFFAOYSA-N 0 0 608.738 4.741 1 0 KJAFRN 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CCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)Nc2ccc(CC)cc2)c1 ZINC000003041093 561681448 /nfs/dbraw/zinc/68/14/48/561681448.db2.gz ZTLMNKVVDHFREP-GGAORHGYSA-N 0 0 513.642 4.818 3 0 KJAFRN CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cc(S(N)(=O)=O)c(Cl)cc3Cl)ccc21 ZINC000003254174 561681748 /nfs/dbraw/zinc/68/17/48/561681748.db2.gz RPCKVCBTIXXALD-UHFFFAOYSA-N 0 0 520.394 4.564 3 0 KJAFRN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn4c5c(cc(F)c(N6CCN(C)CC6)c5OC[C@H]4C)c3=O)cc2)cc1 ZINC000003324862 561681716 /nfs/dbraw/zinc/68/17/16/561681716.db2.gz ABHZIIYNYAVFSO-HXUWFJFHSA-N 0 0 599.663 4.749 3 0 KJAFRN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn4c5c(cc(F)c(N6CCN(C)CC6)c5OC[C@@H]4C)c3=O)cc2)cc1 ZINC000003324864 561681807 /nfs/dbraw/zinc/68/18/07/561681807.db2.gz ABHZIIYNYAVFSO-FQEVSTJZSA-N 0 0 599.663 4.749 3 0 KJAFRN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c1 ZINC000003348639 561681767 /nfs/dbraw/zinc/68/17/67/561681767.db2.gz SXYXAFBVXMRQKK-UHFFFAOYSA-N 0 0 507.612 4.640 3 0 KJAFRN COC(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000003978114 561692019 /nfs/dbraw/zinc/69/20/19/561692019.db2.gz YOTCKRFNSMJTGD-WUBPLCNYSA-N 0 0 512.599 4.727 3 0 in-vitro KJAFRN COC(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@H]3[C@@]1(C)C2=O ZINC000003978115 560191985 /nfs/dbraw/zinc/19/19/85/560191985.db2.gz YOTCKRFNSMJTGD-NXYMPLJPSA-N 0 0 512.599 4.727 3 0 in-vitro KJAFRN COC(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H]2C[C@@H]3[C@@H](CC[C@]4(C)[C@@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000003978325 561692012 /nfs/dbraw/zinc/69/20/12/561692012.db2.gz INDUNANCUDNZJY-KCVDKQEZSA-N 0 0 514.615 4.662 3 0 in-vitro KJAFRN COC(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H]2C[C@H]3[C@@H](CC[C@]4(C)[C@@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000003978326 560192350 /nfs/dbraw/zinc/19/23/50/560192350.db2.gz INDUNANCUDNZJY-BFOABGKSSA-N 0 0 514.615 4.662 3 0 in-vitro KJAFRN 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CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000008693912 561708169 /nfs/dbraw/zinc/70/81/69/561708169.db2.gz UJAXGYYFOQMGHH-UHFFFAOYSA-N 0 0 549.070 4.827 3 0 KJAFRN C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@H](C)[C@H]3c3cccc(N4CCCC4=O)c3)C(=O)N2[C@@H]1c1cccc(N2CCCC2=O)c1 ZINC000008801854 561708360 /nfs/dbraw/zinc/70/83/60/561708360.db2.gz QQVRXVGZCWKAIS-DOWNUALMSA-N 0 0 568.718 4.990 3 0 KJAFRN CC(=O)Nc1ccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@@H](c5ccc(NC(C)=O)cc5)[C@H](C)CC[C@H]4C(=O)N23)cc1 ZINC000008801855 561708399 /nfs/dbraw/zinc/70/83/99/561708399.db2.gz DSQXTVAJRHMQRP-JOHAQQSTSA-N 0 0 516.642 4.654 3 0 KJAFRN COC(=O)[C@H]1C[C@@H]1[C@H](NC(=O)[C@H]1C[C@@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000008829538 561708583 /nfs/dbraw/zinc/70/85/83/561708583.db2.gz POMSOEVZZBCUHS-FZFXNXQRSA-N 0 0 512.606 4.957 3 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829559 561708543 /nfs/dbraw/zinc/70/85/43/561708543.db2.gz UXYHZAOAJFVPGU-ZZSYSKQCSA-N 0 0 639.724 4.961 3 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829595 561708652 /nfs/dbraw/zinc/70/86/52/561708652.db2.gz YOHQXMCAKJZZPA-XRCYRVQWSA-N 0 0 579.672 4.944 3 0 KJAFRN O=C(c1ccc2c(c1)NC(=O)[C@@H](CSCc1ccccc1F)N2)N1CCN(c2ccccc2F)CC1 ZINC000009490394 561709021 /nfs/dbraw/zinc/70/90/21/561709021.db2.gz WYCXBMAJQHEXJO-XMMPIXPASA-N 0 0 508.594 4.593 3 0 KJAFRN O=C(c1ccc2c(c1)NC(=O)[C@H](CSCc1ccccc1F)N2)N1CCN(c2ccccc2F)CC1 ZINC000009490395 561708972 /nfs/dbraw/zinc/70/89/72/561708972.db2.gz WYCXBMAJQHEXJO-DEOSSOPVSA-N 0 0 508.594 4.593 3 0 KJAFRN COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](CSCc2ccccc2C)N3)CC1 ZINC000009490586 561708995 /nfs/dbraw/zinc/70/89/95/561708995.db2.gz UPCUFXXVXPRLTI-RUZDIDTESA-N 0 0 516.667 4.632 3 0 KJAFRN COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](CSCc2ccccc2C)N3)CC1 ZINC000009490587 561708990 /nfs/dbraw/zinc/70/89/90/561708990.db2.gz UPCUFXXVXPRLTI-VWLOTQADSA-N 0 0 516.667 4.632 3 0 KJAFRN COc1ccc(CNC(=O)C2(C[C@@H]3CC(c4ccccc4)=NO3)CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000012477016 561710835 /nfs/dbraw/zinc/71/08/35/561710835.db2.gz GGVZPYUTYOHJAG-MHZLTWQESA-N 0 0 511.622 4.817 3 0 KJAFRN COc1ccc(CNC(=O)C2(C[C@H]3CC(c4ccccc4)=NO3)CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000012477020 561710854 /nfs/dbraw/zinc/71/08/54/561710854.db2.gz GGVZPYUTYOHJAG-HHHXNRCGSA-N 0 0 511.622 4.817 3 0 KJAFRN COc1ccc(CNC(=O)C2(C[C@@H]3CC(c4ccccc4)=NO3)CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000012477518 561710867 /nfs/dbraw/zinc/71/08/67/561710867.db2.gz KNHPVMWHQAXZOP-MHZLTWQESA-N 0 0 527.621 4.523 3 0 KJAFRN COc1ccc(CNC(=O)C2(C[C@H]3CC(c4ccccc4)=NO3)CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000012477527 561710900 /nfs/dbraw/zinc/71/09/00/561710900.db2.gz KNHPVMWHQAXZOP-HHHXNRCGSA-N 0 0 527.621 4.523 3 0 KJAFRN COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012479665 561710941 /nfs/dbraw/zinc/71/09/41/561710941.db2.gz CLPWVDJUISMJAV-FXAWDEMLSA-N 0 0 504.505 4.796 3 0 KJAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccnc2)=NO1 ZINC000012725653 561711216 /nfs/dbraw/zinc/71/12/16/561711216.db2.gz MSPVQOMGVYOTBE-QFIPXVFZSA-N 0 0 521.499 4.967 3 0 KJAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccnc2)=NO1 ZINC000012725655 561711243 /nfs/dbraw/zinc/71/12/43/561711243.db2.gz MSPVQOMGVYOTBE-JOCHJYFZSA-N 0 0 521.499 4.967 3 0 KJAFRN O=C(NCc1cccc(Br)c1)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccnc2)=NO1 ZINC000012725670 561711208 /nfs/dbraw/zinc/71/12/08/561711208.db2.gz GAVRNQYLTOYLDI-QFIPXVFZSA-N 0 0 516.399 4.831 3 0 KJAFRN O=C(NCc1cccc(Br)c1)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccnc2)=NO1 ZINC000012725673 561711155 /nfs/dbraw/zinc/71/11/55/561711155.db2.gz GAVRNQYLTOYLDI-JOCHJYFZSA-N 0 0 516.399 4.831 3 0 KJAFRN COc1ccc(CNC(=O)C2(C[C@@H]3CC(c4ccccc4)=NO3)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000012726208 561711210 /nfs/dbraw/zinc/71/12/10/561711210.db2.gz KQXHOIHZBBSNHT-DEOSSOPVSA-N 0 0 507.631 4.912 3 0 KJAFRN COc1ccc(CNC(=O)C2(C[C@H]3CC(c4ccccc4)=NO3)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000012726211 561711145 /nfs/dbraw/zinc/71/11/45/561711145.db2.gz KQXHOIHZBBSNHT-XMMPIXPASA-N 0 0 507.631 4.912 3 0 KJAFRN C[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000012726619 561711275 /nfs/dbraw/zinc/71/12/75/561711275.db2.gz LBNKNWRWKSCBOA-XAYSYOTPSA-N 0 0 509.965 4.695 3 0 KJAFRN C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000012727017 561711273 /nfs/dbraw/zinc/71/12/73/561711273.db2.gz NNHCGNDHMMSPOQ-KEEVHDRGSA-N 0 0 514.553 4.793 3 0 KJAFRN C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000012727020 561711311 /nfs/dbraw/zinc/71/13/11/561711311.db2.gz NNHCGNDHMMSPOQ-WRGVRERRSA-N 0 0 514.553 4.793 3 0 KJAFRN C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000012727022 561711300 /nfs/dbraw/zinc/71/13/00/561711300.db2.gz NNHCGNDHMMSPOQ-PRAQEBQASA-N 0 0 514.553 4.793 3 0 KJAFRN C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000012727024 561711342 /nfs/dbraw/zinc/71/13/42/561711342.db2.gz NNHCGNDHMMSPOQ-WENCNXQZSA-N 0 0 514.553 4.793 3 0 KJAFRN CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)nn1 ZINC000013478108 561714824 /nfs/dbraw/zinc/71/48/24/561714824.db2.gz KSHPXVRCJOJXRV-VWPQPMDRSA-N 0 0 536.718 4.557 3 0 KJAFRN CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)nn1 ZINC000013478110 561714794 /nfs/dbraw/zinc/71/47/94/561714794.db2.gz KSHPXVRCJOJXRV-TUNNFDKTSA-N 0 0 536.718 4.557 3 0 KJAFRN CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](CC(C)C)NC(=O)OC(C)(C)C)nn1 ZINC000013478112 561714793 /nfs/dbraw/zinc/71/47/93/561714793.db2.gz KSHPXVRCJOJXRV-ONTIZHBOSA-N 0 0 536.718 4.557 3 0 KJAFRN CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](CC(C)C)NC(=O)OC(C)(C)C)nn1 ZINC000013478114 561714831 /nfs/dbraw/zinc/71/48/31/561714831.db2.gz KSHPXVRCJOJXRV-JAXLGGSGSA-N 0 0 536.718 4.557 3 0 KJAFRN CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](c2csc3ccccc32)[C@H]1CCCO ZINC000013634612 561722172 /nfs/dbraw/zinc/72/21/72/561722172.db2.gz RHQPDZCTKOVIKR-UNHDOIQYSA-N 0 0 520.695 4.995 3 0 KJAFRN O=C(C1=C[C@H](c2csc3ccccc32)C[C@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634651 561722184 /nfs/dbraw/zinc/72/21/84/561722184.db2.gz PQEFSWUTJPGHQA-NEKDWFFYSA-N 0 0 506.668 4.749 3 0 KJAFRN O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634691 561722139 /nfs/dbraw/zinc/72/21/39/561722139.db2.gz MYHGUVBHLVZSTN-JYFHCDHNSA-N 0 0 518.576 4.553 3 0 KJAFRN O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634745 561722127 /nfs/dbraw/zinc/72/21/27/561722127.db2.gz MYHGUVBHLVZSTN-BVAGGSTKSA-N 0 0 518.576 4.553 3 0 KJAFRN O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634761 561722105 /nfs/dbraw/zinc/72/21/05/561722105.db2.gz DAOVZNHVXCJTAS-DGPALRBDSA-N 0 0 504.671 4.867 3 0 KJAFRN O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013656753 561723248 /nfs/dbraw/zinc/72/32/48/561723248.db2.gz DAOVZNHVXCJTAS-MFMCTBQISA-N 0 0 504.671 4.867 3 0 KJAFRN CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013657020 561723223 /nfs/dbraw/zinc/72/32/23/561723223.db2.gz IMVGWLCCHAPULI-MPCDZSKCSA-N 0 0 503.521 4.647 3 0 KJAFRN CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013657041 561723267 /nfs/dbraw/zinc/72/32/67/561723267.db2.gz IMVGWLCCHAPULI-MHPIHPPYSA-N 0 0 503.521 4.647 3 0 KJAFRN Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2C(=O)[C@@]32CC(c3cccnc3)=NO2)s1 ZINC000013660545 561723351 /nfs/dbraw/zinc/72/33/51/561723351.db2.gz SWDNUOQXBDHQJG-SANMLTNESA-N 0 0 507.999 4.918 3 0 KJAFRN Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2C(=O)[C@]32CC(c3cccnc3)=NO2)s1 ZINC000013660547 561723337 /nfs/dbraw/zinc/72/33/37/561723337.db2.gz SWDNUOQXBDHQJG-AREMUKBSSA-N 0 0 507.999 4.918 3 0 KJAFRN COc1ccc([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3ccc(=O)oc32)cc1 ZINC000013661452 561723601 /nfs/dbraw/zinc/72/36/01/561723601.db2.gz BYBHOJNEMJJCIW-RUZDIDTESA-N 0 0 528.605 4.690 3 0 KJAFRN COc1ccc([C@H](CC(=O)N2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3ccc(=O)oc32)cc1 ZINC000013661454 561723603 /nfs/dbraw/zinc/72/36/03/561723603.db2.gz BYBHOJNEMJJCIW-VWLOTQADSA-N 0 0 528.605 4.690 3 0 KJAFRN COc1ccc([C@@H](CC(=O)N2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661462 561723617 /nfs/dbraw/zinc/72/36/17/561723617.db2.gz YDXAUZSBJRMVPO-HSZRJFAPSA-N 0 0 529.589 4.867 3 0 KJAFRN COc1ccc([C@H](CC(=O)N2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661465 561723602 /nfs/dbraw/zinc/72/36/02/561723602.db2.gz YDXAUZSBJRMVPO-QHCPKHFHSA-N 0 0 529.589 4.867 3 0 KJAFRN O=C([C@H]1[C@H](c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1)N1CCOC1=O ZINC000013813512 561731889 /nfs/dbraw/zinc/73/18/89/561731889.db2.gz ISBRUDLVVHHDNA-FYYLOGMGSA-N 0 0 508.347 4.944 3 0 aggregator KJAFRN O=C([C@H]1[C@H](c2ccccc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1)N1CCOC1=O ZINC000013813893 561732021 /nfs/dbraw/zinc/73/20/21/561732021.db2.gz XEGLPNHXIJWCLI-FYYLOGMGSA-N 0 0 508.347 4.944 3 0 aggregator KJAFRN Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4cccc(Cl)c4)C(=O)N23)c1 ZINC000015935777 561753240 /nfs/dbraw/zinc/75/32/40/561753240.db2.gz ZHMQVGOQZYNEMU-RWJVBYDYSA-N 0 0 513.981 4.732 3 0 KJAFRN COc1ccc(CNC(=O)C2(C[C@@H]3CC(c4ccccc4)=NO3)CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000015936614 561753312 /nfs/dbraw/zinc/75/33/12/561753312.db2.gz VAKPJHSVJVQCDN-SANMLTNESA-N 0 0 503.643 4.694 3 0 KJAFRN COc1ccc(CNC(=O)C2(C[C@H]3CC(c4ccccc4)=NO3)CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000015936615 561753325 /nfs/dbraw/zinc/75/33/25/561753325.db2.gz VAKPJHSVJVQCDN-AREMUKBSSA-N 0 0 503.643 4.694 3 0 KJAFRN COc1ccc(N2C(=O)N3[C@H](c4ccc(Cl)cc4)[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]4[C@]3(C)C2=O)cc1 ZINC000015936624 561753303 /nfs/dbraw/zinc/75/33/03/561753303.db2.gz KQFNGULEFVUPNM-TZTMDHJLSA-N 0 0 522.001 4.565 3 0 KJAFRN CC[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(F)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000015936664 561753296 /nfs/dbraw/zinc/75/32/96/561753296.db2.gz CJKQRGJYBDQUFF-TZTMDHJLSA-N 0 0 507.537 4.571 3 0 KJAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1 ZINC000015953083 561753651 /nfs/dbraw/zinc/75/36/51/561753651.db2.gz GOEUUEGNHMHLNU-VWLOTQADSA-N 0 0 524.621 4.817 3 0 KJAFRN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000017285682 561754503 /nfs/dbraw/zinc/75/45/03/561754503.db2.gz JXSRPOWUFCILDD-RKDJCVHPSA-N 0 0 567.642 4.800 3 0 KJAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nnc(CNC(=O)OC(C)(C)C)o1 ZINC000017306955 561754606 /nfs/dbraw/zinc/75/46/06/561754606.db2.gz ZLUKAHLYABDMQV-FQEVSTJZSA-N 0 0 610.753 4.594 3 0 KJAFRN CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)c1nnc([C@H](CC(=O)OC(C)(C)C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000017306982 561754622 /nfs/dbraw/zinc/75/46/22/561754622.db2.gz SXZXBYOIDGPPRA-SFTDATJTSA-N 0 0 639.791 4.987 3 0 KJAFRN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307048 561754687 /nfs/dbraw/zinc/75/46/87/561754687.db2.gz PJPZHTXJTMPUJN-JCTONOIOSA-N 0 0 608.781 4.632 3 0 KJAFRN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307051 561754675 /nfs/dbraw/zinc/75/46/75/561754675.db2.gz PJPZHTXJTMPUJN-SFLYRZDNSA-N 0 0 608.781 4.632 3 0 KJAFRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307063 561754688 /nfs/dbraw/zinc/75/46/88/561754688.db2.gz JKDYARDQOBEQKD-GGAORHGYSA-N 0 0 608.781 4.632 3 0 KJAFRN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307065 561754685 /nfs/dbraw/zinc/75/46/85/561754685.db2.gz JKDYARDQOBEQKD-GMAHTHKFSA-N 0 0 608.781 4.632 3 0 KJAFRN CCCCCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307173 561754751 /nfs/dbraw/zinc/75/47/51/561754751.db2.gz UESILPVAVYLNDS-LHXZUMEBSA-N 0 0 566.658 4.700 3 0 KJAFRN CCCCCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307176 561754749 /nfs/dbraw/zinc/75/47/49/561754749.db2.gz UESILPVAVYLNDS-YDYNHKSESA-N 0 0 566.658 4.700 3 0 KJAFRN CC/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000017307239 561754882 /nfs/dbraw/zinc/75/48/82/561754882.db2.gz RQJXZNJKXMMWQZ-OUUMGQFYSA-N 0 0 550.659 4.763 3 0 KJAFRN CC/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000017307244 561754847 /nfs/dbraw/zinc/75/48/47/561754847.db2.gz RQJXZNJKXMMWQZ-APLDKYCASA-N 0 0 550.659 4.763 3 0 KJAFRN CC1(C(=O)N2C[C@]3(CC(c4cccc(NC(=O)CC(c5ccccc5)c5ccccc5)c4)=NO3)C[C@@H]2C(N)=O)CC1 ZINC000017307298 561754860 /nfs/dbraw/zinc/75/48/60/561754860.db2.gz BKEZMYYAGGLSDC-YDYNHKSESA-N 0 0 550.659 4.597 3 0 KJAFRN CC1(C(=O)N2C[C@@]3(CC(c4cccc(NC(=O)CC(c5ccccc5)c5ccccc5)c4)=NO3)C[C@@H]2C(N)=O)CC1 ZINC000017307302 561754849 /nfs/dbraw/zinc/75/48/49/561754849.db2.gz BKEZMYYAGGLSDC-LHXZUMEBSA-N 0 0 550.659 4.597 3 0 KJAFRN C/C=C(\C)C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307314 561754886 /nfs/dbraw/zinc/75/48/86/561754886.db2.gz VXQITPUSXSISTC-LQPKPMNNSA-N 0 0 550.659 4.763 3 0 KJAFRN C/C=C(\C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307317 561754893 /nfs/dbraw/zinc/75/48/93/561754893.db2.gz VXQITPUSXSISTC-OXWIERLISA-N 0 0 550.659 4.763 3 0 KJAFRN C/C=C\C=C\C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307330 561754858 /nfs/dbraw/zinc/75/48/58/561754858.db2.gz YLVALBNZKPAYAK-YQLCHBHBSA-N 0 0 562.670 4.929 3 0 KJAFRN C/C=C\C=C\C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307335 561754887 /nfs/dbraw/zinc/75/48/87/561754887.db2.gz YLVALBNZKPAYAK-HXAQSUTRSA-N 0 0 562.670 4.929 3 0 KJAFRN C/C=C\C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307387 561754912 /nfs/dbraw/zinc/75/49/12/561754912.db2.gz HAIZKMIMEAZPJA-AYALPDKGSA-N 0 0 548.643 4.539 3 0 KJAFRN C/C=C\C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307390 561754952 /nfs/dbraw/zinc/75/49/52/561754952.db2.gz HAIZKMIMEAZPJA-OOQUPAOCSA-N 0 0 548.643 4.539 3 0 KJAFRN C/C=C/C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307432 561754948 /nfs/dbraw/zinc/75/49/48/561754948.db2.gz LDNIEKIKGYAISG-QXPDTLCQSA-N 0 0 562.670 4.929 3 0 KJAFRN C/C=C/C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307435 561754918 /nfs/dbraw/zinc/75/49/18/561754918.db2.gz LDNIEKIKGYAISG-XCXFOTIZSA-N 0 0 562.670 4.929 3 0 KJAFRN C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307438 561754958 /nfs/dbraw/zinc/75/49/58/561754958.db2.gz YJFNGRCTASCYSQ-YDGSBOLGSA-N 0 0 550.659 4.763 3 0 KJAFRN C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307442 561754950 /nfs/dbraw/zinc/75/49/50/561754950.db2.gz YJFNGRCTASCYSQ-JHZVNLDHSA-N 0 0 550.659 4.763 3 0 KJAFRN Nc1c2cnnc-2nc(SCC(=O)c2ccc(Br)cc2)n1-c1ccc(Br)cc1 ZINC000017376615 561755054 /nfs/dbraw/zinc/75/50/54/561755054.db2.gz BDSDAYGNIWJNKN-UHFFFAOYSA-N 0 0 519.222 4.849 3 0 KJAFRN COc1cc2c(c(O)c1OC)-c1c(O)c(OC)c(OC)cc1[C@@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@@H]2OC(=O)c1ccccc1 ZINC000017434102 561755311 /nfs/dbraw/zinc/75/53/11/561755311.db2.gz FJCBKSYUDCSWLR-QRRPCWBGSA-N 0 0 582.602 4.702 3 0 KJAFRN O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544685 561755394 /nfs/dbraw/zinc/75/53/94/561755394.db2.gz PWLGCENYRZNTDP-JOMNFKBKSA-N 0 0 548.680 4.595 3 0 KJAFRN CC(=O)n1cc([C@H]2C=C(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017544711 561755566 /nfs/dbraw/zinc/75/55/66/561755566.db2.gz PSPGCYIICWYRQU-JADSYQMUSA-N 0 0 623.706 4.798 3 0 KJAFRN O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544723 561755510 /nfs/dbraw/zinc/75/55/10/561755510.db2.gz AXUXJKABAZJEIN-NEEKEDPPSA-N 0 0 621.528 4.945 3 0 KJAFRN O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544750 561755501 /nfs/dbraw/zinc/75/55/01/561755501.db2.gz AXUXJKABAZJEIN-SUYBVONHSA-N 0 0 621.528 4.945 3 0 KJAFRN CC(=O)n1cc([C@@H]2C=C(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017544759 561755564 /nfs/dbraw/zinc/75/55/64/561755564.db2.gz PSPGCYIICWYRQU-CVYDZTKKSA-N 0 0 623.706 4.798 3 0 KJAFRN CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000017544783 561755568 /nfs/dbraw/zinc/75/55/68/561755568.db2.gz CVSVBTMIMNEFEC-NDDXJGTKSA-N 0 0 576.612 4.528 3 0 KJAFRN O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544786 561755486 /nfs/dbraw/zinc/75/54/86/561755486.db2.gz PWLGCENYRZNTDP-JTSJOTPCSA-N 0 0 548.680 4.595 3 0 KJAFRN CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](c2csc3ccccc32)[C@H]1CCCO ZINC000017544807 561755554 /nfs/dbraw/zinc/75/55/54/561755554.db2.gz HMWUPEBWYBVNQB-ULPIOCOXSA-N 0 0 564.704 4.723 3 0 KJAFRN CCO[C@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000017544834 561755594 /nfs/dbraw/zinc/75/55/94/561755594.db2.gz HMWUPEBWYBVNQB-JLELKNTQSA-N 0 0 564.704 4.723 3 0 KJAFRN CCO[C@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000017544838 561755642 /nfs/dbraw/zinc/75/56/42/561755642.db2.gz CVSVBTMIMNEFEC-MOMDTQCHSA-N 0 0 576.612 4.528 3 0 KJAFRN CCO[C@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000017544952 561755740 /nfs/dbraw/zinc/75/57/40/561755740.db2.gz RKTAVQJMPBYOOQ-VBOOUTDYSA-N 0 0 532.603 4.799 3 0 KJAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C ZINC000017544986 561755786 /nfs/dbraw/zinc/75/57/86/561755786.db2.gz BTFNNDYCQMKLSJ-QFIPXVFZSA-N 0 0 644.770 4.822 3 0 KJAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1 ZINC000017544989 561755790 /nfs/dbraw/zinc/75/57/90/561755790.db2.gz SRTUWFAWYHVDFJ-QHCPKHFHSA-N 0 0 563.655 4.575 3 0 KJAFRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1 ZINC000017544992 561755752 /nfs/dbraw/zinc/75/57/52/561755752.db2.gz OTGZPWXHOAXUFA-SANMLTNESA-N 0 0 597.672 4.771 3 0 KJAFRN Cc1noc(C)c1C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545608 561755794 /nfs/dbraw/zinc/75/57/94/561755794.db2.gz XJNDWPSMEKQHSX-MHZLTWQESA-N 0 0 523.948 4.897 3 0 KJAFRN Cc1noc(C)c1C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545611 561755785 /nfs/dbraw/zinc/75/57/85/561755785.db2.gz XJNDWPSMEKQHSX-HHHXNRCGSA-N 0 0 523.948 4.897 3 0 KJAFRN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000017545626 561755915 /nfs/dbraw/zinc/75/59/15/561755915.db2.gz BHFXIUCSOWFTNN-GDLZYMKVSA-N 0 0 530.964 4.882 3 0 KJAFRN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000017545629 561755918 /nfs/dbraw/zinc/75/59/18/561755918.db2.gz BHFXIUCSOWFTNN-LJAQVGFWSA-N 0 0 530.964 4.882 3 0 KJAFRN COc1cc(OC)c([C@H](CC(=O)N2CCN(c3ccccc3)CC2)c2cc(OC)c(OC)c(OC)c2)c2oc(=O)ccc12 ZINC000017545923 561756262 /nfs/dbraw/zinc/75/62/62/561756262.db2.gz MPGKMRWMLVJCBE-XMMPIXPASA-N 0 0 588.657 4.707 3 0 KJAFRN COc1cc(OC)c([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)c2cc(OC)c(OC)c(OC)c2)c2oc(=O)ccc12 ZINC000017545926 561756260 /nfs/dbraw/zinc/75/62/60/561756260.db2.gz MPGKMRWMLVJCBE-DEOSSOPVSA-N 0 0 588.657 4.707 3 0 KJAFRN COc1cc(OC)c([C@@H](CC(=O)N2CCOCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545941 561756203 /nfs/dbraw/zinc/75/62/03/561756203.db2.gz OYXQLQFFMILYGV-NRFANRHFSA-N 0 0 543.572 4.587 3 0 KJAFRN COc1cc(OC)c([C@H](CC(=O)N2CCOCC2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545944 561756217 /nfs/dbraw/zinc/75/62/17/561756217.db2.gz OYXQLQFFMILYGV-OAQYLSRUSA-N 0 0 543.572 4.587 3 0 KJAFRN COc1cc(OC)c([C@@H](CC(=O)N2CCOCC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545947 561756258 /nfs/dbraw/zinc/75/62/58/561756258.db2.gz XOLFDXFHZNHMKA-DEOSSOPVSA-N 0 0 542.632 4.924 3 0 KJAFRN COc1cc(OC)c([C@H](CC(=O)N2CCOCC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545950 561756239 /nfs/dbraw/zinc/75/62/39/561756239.db2.gz XOLFDXFHZNHMKA-XMMPIXPASA-N 0 0 542.632 4.924 3 0 KJAFRN COc1ccc([C@H]2C=CCN(S(=O)(=O)c3cccc4cccnc43)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018062293 561758003 /nfs/dbraw/zinc/75/80/03/561758003.db2.gz IDMOJNNXCRNSRZ-AREMUKBSSA-N 0 0 531.609 4.713 3 0 KJAFRN COc1ccc([C@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018068513 561758034 /nfs/dbraw/zinc/75/80/34/561758034.db2.gz YTRQFMFRCAFOIS-KDYSTLNUSA-N 0 0 508.615 4.862 3 0 KJAFRN COc1ccc([C@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018068588 561758007 /nfs/dbraw/zinc/75/80/07/561758007.db2.gz DCTNPDNRYKVBHB-BVXNXULYSA-N 0 0 506.599 4.777 3 0 KJAFRN COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3cccc4cccnc43)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018128661 561758196 /nfs/dbraw/zinc/75/81/96/561758196.db2.gz IDMOJNNXCRNSRZ-SANMLTNESA-N 0 0 531.609 4.713 3 0 KJAFRN COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018151822 561758165 /nfs/dbraw/zinc/75/81/65/561758165.db2.gz YTRQFMFRCAFOIS-IDISGSTGSA-N 0 0 508.615 4.862 3 0 KJAFRN COc1ccc([C@@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018208195 561758169 /nfs/dbraw/zinc/75/81/69/561758169.db2.gz DCTNPDNRYKVBHB-LTVIDTAPSA-N 0 0 506.599 4.777 3 0 KJAFRN CCOc1ccc(CN2c3cc(C(=O)NCCCN4CCOCC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000020211628 561758670 /nfs/dbraw/zinc/75/86/70/561758670.db2.gz YGEBRIQWQRFVLB-UHFFFAOYSA-N 0 0 531.678 4.849 3 0 KJAFRN Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2nc(C)nc(N3CCN(c4ccccn4)CC3)c12 ZINC000033354346 562037252 /nfs/dbraw/zinc/03/72/52/562037252.db2.gz DNPZDDCSJCVKTH-UHFFFAOYSA-N 0 0 548.116 4.646 3 0 KJAFRN O=C(NCc1cccc(Cl)c1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cccnc2)c1 ZINC000033358132 562037227 /nfs/dbraw/zinc/03/72/27/562037227.db2.gz HBOZISRGRCAFBA-QPPBQGQZSA-N 0 0 554.050 4.703 3 0 KJAFRN COC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCCCNc1ncc(C(F)(F)F)cc1Cl ZINC000033913753 562037875 /nfs/dbraw/zinc/03/78/75/562037875.db2.gz WPAUIKGBCFXUMT-MWTRTKDXSA-N 0 0 510.944 4.680 3 0 KJAFRN COc1ccc([C@H]2C=CC[C@H](NS(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccccc2F)cc1 ZINC000034960787 562044176 /nfs/dbraw/zinc/04/41/76/562044176.db2.gz MUOBGGJEGJQISJ-WNCULLNHSA-N 0 0 508.615 4.910 3 0 KJAFRN CCOC(=O)CN1c2cccc(Br)c2[C@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)C1=O ZINC000036381951 562059895 /nfs/dbraw/zinc/05/98/95/562059895.db2.gz QHLHCAJYUGLXCG-UQBPGWFLSA-N 0 0 500.389 4.758 3 0 KJAFRN CCOC(=O)CN1c2cccc(Br)c2[C@@]2(O[C@H](COc3ccccc3)CC3=CCC[C@H]32)C1=O ZINC000036381967 562059840 /nfs/dbraw/zinc/05/98/40/562059840.db2.gz AFPBHCVYAOMMKI-OUDXUNEISA-N 0 0 512.400 4.758 3 0 KJAFRN S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000036382090 562059884 /nfs/dbraw/zinc/05/98/84/562059884.db2.gz AVTBQIDXNQGEAD-UHFFFAOYSA-N 0 0 521.916 4.714 3 0 KJAFRN Cc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382460 562059841 /nfs/dbraw/zinc/05/98/41/562059841.db2.gz AWSZBIXYFJJIBD-HHHXNRCGSA-N 0 0 504.638 4.682 3 0 KJAFRN Cc1ccc(CN2C(=O)[C@H](Cc3ccccc3)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382461 562059903 /nfs/dbraw/zinc/05/99/03/562059903.db2.gz AWSZBIXYFJJIBD-MHZLTWQESA-N 0 0 504.638 4.682 3 0 KJAFRN COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NC4CCCCC4)c2C3=O)cc1OC ZINC000036384302 562060088 /nfs/dbraw/zinc/06/00/88/562060088.db2.gz RGKANRNVZHWGCA-UHFFFAOYSA-N 0 0 505.592 4.811 3 0 KJAFRN COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000036384334 562060101 /nfs/dbraw/zinc/06/01/01/562060101.db2.gz QQYDIZBNOJNBDE-WMZHIEFXSA-N 0 0 516.972 4.885 3 0 KJAFRN COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000036384348 562060139 /nfs/dbraw/zinc/06/01/39/562060139.db2.gz ZSMDPMVXPNVWLD-UKILVPOCSA-N 0 0 523.029 4.810 3 0 KJAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)N[C@@](CC(C)C)(C(=O)OC)[C@H]2C1=O ZINC000036386431 562060052 /nfs/dbraw/zinc/06/00/52/562060052.db2.gz XDEBLGGTKVOIHP-PIXQIBFHSA-N 0 0 503.426 4.884 3 0 KJAFRN CCCCCCSc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386538 562060135 /nfs/dbraw/zinc/06/01/35/562060135.db2.gz SFMFMLUNMZMUMY-DOUCHOMGSA-N 0 0 508.684 4.779 3 0 KJAFRN COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000036388515 562060348 /nfs/dbraw/zinc/06/03/48/562060348.db2.gz HOEUGLHRXQEODC-HTAPYJJXSA-N 0 0 520.504 4.546 3 0 KJAFRN COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000036388569 562060384 /nfs/dbraw/zinc/06/03/84/562060384.db2.gz JZJPOKGZEKRZGM-FUHWJXTLSA-N 0 0 508.493 4.697 3 0 KJAFRN COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(Cc3ccc(Cl)cc3)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036389051 562060447 /nfs/dbraw/zinc/06/04/47/562060447.db2.gz MELWLCKUOKBBOW-CHRXXPTBSA-N 0 0 502.998 4.825 3 0 KJAFRN Cc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000038139256 562062641 /nfs/dbraw/zinc/06/26/41/562062641.db2.gz GAGSRZZTURZHDX-UHFFFAOYSA-N 0 0 561.683 4.795 3 0 KJAFRN COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCCOc4ccccc4)c2C3=O)cc1OC ZINC000038140383 562062889 /nfs/dbraw/zinc/06/28/89/562062889.db2.gz ZWIJELXYBBYWML-UHFFFAOYSA-N 0 0 543.597 4.557 3 0 KJAFRN COc1ccccc1[C@@H]1C(c2ccccc2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000038140534 562063080 /nfs/dbraw/zinc/06/30/80/562063080.db2.gz FJNGOCJMWKTJFT-ISKFKSNPSA-N 0 0 520.383 4.813 3 0 aggregator KJAFRN CCOC(=O)CN1c2cccc(Br)c2[C@@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)C1=O ZINC000038142358 562063548 /nfs/dbraw/zinc/06/35/48/562063548.db2.gz AFPBHCVYAOMMKI-CUVVAGTFSA-N 0 0 512.400 4.758 3 0 KJAFRN COC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)OC ZINC000038143087 562063713 /nfs/dbraw/zinc/06/37/13/562063713.db2.gz JEUQZHDINJHETL-ROJLCIKYSA-N 0 0 600.737 4.804 3 0 KJAFRN COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000038144579 562064027 /nfs/dbraw/zinc/06/40/27/562064027.db2.gz ZLGKTRWTBSBRAX-CBUXHAPBSA-N 0 0 523.416 4.690 3 0 KJAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(SC4CCCCC4)c(OC)c3)N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O ZINC000038144582 562064044 /nfs/dbraw/zinc/06/40/44/562064044.db2.gz LMGHGPAWHOAMRS-VIDGLSEISA-N 0 0 536.694 4.540 3 0 KJAFRN CN1C(=O)[C@H]2[C@@H](/C=C/c3ccccc3)N3C(=O)CN(Cc4ccc(-c5ccccc5)cc4)C(=O)[C@@]3(Cc3ccccc3)[C@H]2C1=O ZINC000038145419 562064129 /nfs/dbraw/zinc/06/41/29/562064129.db2.gz RASWWWUHNQOSRI-LJTPHGSCSA-N 0 0 595.699 4.833 3 0 KJAFRN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(Cc4ccc(-c5ccccc5)cc4)CC(=O)N23)o1 ZINC000038145439 562064277 /nfs/dbraw/zinc/06/42/77/562064277.db2.gz HIKIYBQJGFKRHW-XWJIURCXSA-N 0 0 559.622 4.745 3 0 KJAFRN COC(=O)C1=C(c2cccc3c2S(=O)(=O)c2ccccc2-3)C[C@@H]2CC[C@H]1N2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000038146059 562064683 /nfs/dbraw/zinc/06/46/83/562064683.db2.gz UPIFAGBIKMGZKH-HFZDXXHNSA-N 0 0 600.693 4.859 3 0 KJAFRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)c2)cc1 ZINC000038146070 562064680 /nfs/dbraw/zinc/06/46/80/562064680.db2.gz GBDHKZUOHILGTN-UHFFFAOYSA-N 0 0 552.675 4.727 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCC4)C3)c2)cc1)C1CCCC1 ZINC000038146071 562064678 /nfs/dbraw/zinc/06/46/78/562064678.db2.gz KTEATKPTWFUUCQ-RUZDIDTESA-N 0 0 544.696 4.860 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)[C@H]3CCCN(C(=O)C4CCC4)C3)c2)cc1)C1CCCC1 ZINC000038146072 562064676 /nfs/dbraw/zinc/06/46/76/562064676.db2.gz KTEATKPTWFUUCQ-VWLOTQADSA-N 0 0 544.696 4.860 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)C4CCC4)CC3)c2)cc1)C1CCCC1 ZINC000038146073 562064682 /nfs/dbraw/zinc/06/46/82/562064682.db2.gz CSMLOSDLMXSAOI-UHFFFAOYSA-N 0 0 544.696 4.860 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCCCC3)C2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000038146085 562064663 /nfs/dbraw/zinc/06/46/63/562064663.db2.gz MRMKUHCZRWSVBB-AREMUKBSSA-N 0 0 544.696 4.861 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C3CCCCC3)C2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000038146086 562064643 /nfs/dbraw/zinc/06/46/43/562064643.db2.gz MRMKUHCZRWSVBB-SANMLTNESA-N 0 0 544.696 4.861 3 0 KJAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CCCCC3)CC2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000038146087 562064691 /nfs/dbraw/zinc/06/46/91/562064691.db2.gz MIFSBAMSVLPEAF-UHFFFAOYSA-N 0 0 544.696 4.861 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc2)cc1)C1CC1 ZINC000038146088 562064684 /nfs/dbraw/zinc/06/46/84/562064684.db2.gz CFWOVITXGXGGIL-RUZDIDTESA-N 0 0 544.696 4.860 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CCCCC4)C3)cc2)cc1)C1CC1 ZINC000038146089 562064721 /nfs/dbraw/zinc/06/47/21/562064721.db2.gz CFWOVITXGXGGIL-VWLOTQADSA-N 0 0 544.696 4.860 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CCCCC4)CC3)cc2)cc1)C1CC1 ZINC000038146090 562064755 /nfs/dbraw/zinc/06/47/55/562064755.db2.gz ASQFFGWRKZEZDA-UHFFFAOYSA-N 0 0 544.696 4.860 3 0 KJAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000038146097 562064725 /nfs/dbraw/zinc/06/47/25/562064725.db2.gz QDUWYKRYKRTUNY-UHFFFAOYSA-N 0 0 538.648 4.595 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)cc1)C1CC1 ZINC000038146098 562064747 /nfs/dbraw/zinc/06/47/47/562064747.db2.gz UDZDYXHFLQQYDT-RUZDIDTESA-N 0 0 538.648 4.593 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2)cc1)C1CC1 ZINC000038146099 562064757 /nfs/dbraw/zinc/06/47/57/562064757.db2.gz UDZDYXHFLQQYDT-VWLOTQADSA-N 0 0 538.648 4.593 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2)cc1)C1CC1 ZINC000038146100 562064719 /nfs/dbraw/zinc/06/47/19/562064719.db2.gz OAXOTQYTZPWIJJ-UHFFFAOYSA-N 0 0 538.648 4.593 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CCc3ccccc3)C2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000038146102 562064731 /nfs/dbraw/zinc/06/47/31/562064731.db2.gz XOLAAQYAZGCKIY-NDEPHWFRSA-N 0 0 566.702 4.914 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000038146103 562064711 /nfs/dbraw/zinc/06/47/11/562064711.db2.gz XOLAAQYAZGCKIY-MUUNZHRXSA-N 0 0 566.702 4.914 3 0 KJAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000038146105 562064749 /nfs/dbraw/zinc/06/47/49/562064749.db2.gz XJNQSWAUDVMNHT-UHFFFAOYSA-N 0 0 566.702 4.914 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)CCc4ccccc4)C3)cc2)cc1)C1CC1 ZINC000038146107 562064761 /nfs/dbraw/zinc/06/47/61/562064761.db2.gz ZWOWEEIRHIQGFM-HHHXNRCGSA-N 0 0 566.702 4.912 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)CCc4ccccc4)C3)cc2)cc1)C1CC1 ZINC000038146108 562064753 /nfs/dbraw/zinc/06/47/53/562064753.db2.gz ZWOWEEIRHIQGFM-MHZLTWQESA-N 0 0 566.702 4.912 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cc2)cc1)C1CC1 ZINC000038146109 562064742 /nfs/dbraw/zinc/06/47/42/562064742.db2.gz RQAPWLHSLKGCMR-UHFFFAOYSA-N 0 0 566.702 4.912 3 0 KJAFRN COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)CN(CCc3c[nH]c4ccccc34)C(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000038146120 562064715 /nfs/dbraw/zinc/06/47/15/562064715.db2.gz QSOBCWLYDVEJOD-SRBUNAHZSA-N 0 0 521.617 4.696 3 0 KJAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000038146650 562065285 /nfs/dbraw/zinc/06/52/85/562065285.db2.gz WZJDKSHRSZUZQS-CONSDPRKSA-N 0 0 630.701 4.579 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@]12C ZINC000038151033 562066561 /nfs/dbraw/zinc/06/65/61/562066561.db2.gz VVSLCRQCGAJZTB-ZQDYSYBYSA-N 0 0 553.331 4.938 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@]12C ZINC000038151034 562066565 /nfs/dbraw/zinc/06/65/65/562066565.db2.gz VVSLCRQCGAJZTB-LDQAXMLRSA-N 0 0 553.331 4.938 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]12C ZINC000038151035 562066548 /nfs/dbraw/zinc/06/65/48/562066548.db2.gz VAQUCSXHVOLKIF-WEGMGINNSA-N 0 0 519.779 4.573 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@]12C ZINC000038151036 562066559 /nfs/dbraw/zinc/06/65/59/562066559.db2.gz ZDGSPOIQGPOOKY-LDQAXMLRSA-N 0 0 564.230 4.682 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(Br)cc3)C(=O)[C@]12C ZINC000038151037 562066571 /nfs/dbraw/zinc/06/65/71/562066571.db2.gz ZDGSPOIQGPOOKY-WEGMGINNSA-N 0 0 564.230 4.682 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000038151038 562066537 /nfs/dbraw/zinc/06/65/37/562066537.db2.gz IKKDKEBIRMANSH-YCMMZOLNSA-N 0 0 519.779 4.573 3 0 KJAFRN CC[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1ccc(OC)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151043 562066587 /nfs/dbraw/zinc/06/65/87/562066587.db2.gz JKSQWSPFKSDGSN-NUFXCCFXSA-N 0 0 554.441 4.530 3 0 KJAFRN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C)C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@@H]2c1ccc(Br)cc1 ZINC000038151045 562066546 /nfs/dbraw/zinc/06/65/46/562066546.db2.gz CJLPPPLJPRIFMA-LLBQEJIASA-N 0 0 544.833 4.784 3 0 KJAFRN CC[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1cccc(C)c1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000038151049 562066529 /nfs/dbraw/zinc/06/65/29/562066529.db2.gz VDHKIXNRFUEZIL-SFOWLQBLSA-N 0 0 511.553 4.608 3 0 KJAFRN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4cccc(F)c4)C(=O)N23)cc1 ZINC000038151052 562066649 /nfs/dbraw/zinc/06/66/49/562066649.db2.gz OADQPEHEWSEAGI-WRZBRUQPSA-N 0 0 555.606 4.739 3 0 KJAFRN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(CC(C)C)C(=O)N(c4cccc(F)c4)C(=O)N23)cc1 ZINC000038151065 562066646 /nfs/dbraw/zinc/06/66/46/562066646.db2.gz XIGCGUWENKZAFH-PZNASWHRSA-N 0 0 521.589 4.542 3 0 KJAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N3C(=O)N(c4cccc(F)c4)C(=O)[C@@]3(Cc3ccc(Cl)cc3)[C@H]2C1=O ZINC000038151066 562066660 /nfs/dbraw/zinc/06/66/60/562066660.db2.gz JISGKZIDGSSQHQ-SFOWLQBLSA-N 0 0 545.998 4.914 3 0 KJAFRN CC[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151072 562066662 /nfs/dbraw/zinc/06/66/62/562066662.db2.gz KNQFHAQOXATFON-QIRMHMFVSA-N 0 0 542.405 4.660 3 0 KJAFRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cc3ccccc3)C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@@H]2c1ccc(C)cc1 ZINC000038151073 562066651 /nfs/dbraw/zinc/06/66/51/562066651.db2.gz WKTATLKYFIMGPD-SFOWLQBLSA-N 0 0 528.008 4.775 3 0 KJAFRN CC(C)C[C@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000038151144 562066839 /nfs/dbraw/zinc/06/68/39/562066839.db2.gz IIGJESXUKAVSKO-HSZRJFAPSA-N 0 0 535.490 4.939 3 0 KJAFRN CC(C)C[C@@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000038151145 562066836 /nfs/dbraw/zinc/06/68/36/562066836.db2.gz IIGJESXUKAVSKO-QHCPKHFHSA-N 0 0 535.490 4.939 3 0 KJAFRN CC[C@@]12C(=O)N(c3ccc(C)cc3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151153 562066852 /nfs/dbraw/zinc/06/68/52/562066852.db2.gz RVCPMVDQBJANKB-NUFXCCFXSA-N 0 0 538.442 4.830 3 0 KJAFRN Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4ccc(Br)cc4)C(=O)N23)c1 ZINC000038152042 562066980 /nfs/dbraw/zinc/06/69/80/562066980.db2.gz ZHHBWWNETJODRI-RWJVBYDYSA-N 0 0 558.432 4.841 3 0 KJAFRN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccccc4)C(=O)N23)cc1 ZINC000038152050 562067054 /nfs/dbraw/zinc/06/70/54/562067054.db2.gz JGRRBQUNBCIZLV-WRZBRUQPSA-N 0 0 537.616 4.600 3 0 KJAFRN CC[C@@]12C(=O)N(c3ccc(C)cc3)C(=O)N1[C@H](c1cccc(C)c1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000038152054 562067045 /nfs/dbraw/zinc/06/70/45/562067045.db2.gz ZSFVXJNPGAEJFX-YSRRZRNESA-N 0 0 507.590 4.777 3 0 KJAFRN CC[C@@]12C(=O)N(c3ccccc3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038152062 562067048 /nfs/dbraw/zinc/06/70/48/562067048.db2.gz MVWBHBKCXPDCPG-QIRMHMFVSA-N 0 0 524.415 4.521 3 0 KJAFRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cc3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)N1[C@@H]2c1ccc(C)cc1 ZINC000038152068 562067061 /nfs/dbraw/zinc/06/70/61/562067061.db2.gz HVSAKMWXWPCJLS-SFOWLQBLSA-N 0 0 572.459 4.884 3 0 KJAFRN CC[C@@]12C(=O)N(c3ccc(OC)cc3)C(=O)N1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038152075 562067050 /nfs/dbraw/zinc/06/70/50/562067050.db2.gz LXSFQFZXVNBEAA-RWJVBYDYSA-N 0 0 536.028 4.955 3 0 KJAFRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cc3ccc(Cl)cc3)C(=O)N(c3ccccc3)C(=O)N1[C@@H]2c1ccc(C)cc1 ZINC000038152079 562067047 /nfs/dbraw/zinc/06/70/47/562067047.db2.gz XBXGWGUKCRXRFB-SFOWLQBLSA-N 0 0 528.008 4.775 3 0 KJAFRN CC[C@@]12C(=O)N(c3cccc(C)c3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038152085 562067046 /nfs/dbraw/zinc/06/70/46/562067046.db2.gz UGVRMKVKPKBYAG-NUFXCCFXSA-N 0 0 538.442 4.830 3 0 KJAFRN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccc(OC)cc4)C(=O)N23)cc1 ZINC000038152095 562067065 /nfs/dbraw/zinc/06/70/65/562067065.db2.gz OGZSBJAULXTCLM-BXWHCVCYSA-N 0 0 567.642 4.609 3 0 KJAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@]3(CC(C)C)[C@H]2C1=O ZINC000038152097 562067052 /nfs/dbraw/zinc/06/70/52/562067052.db2.gz PKFNJQGDAZLNIO-XAYSYOTPSA-N 0 0 527.543 4.943 3 0 KJAFRN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4cccc(C)c4)C(=O)N23)cc1 ZINC000038152110 562067134 /nfs/dbraw/zinc/06/71/34/562067134.db2.gz GMIHGMJLMDATMI-BXWHCVCYSA-N 0 0 551.643 4.908 3 0 KJAFRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(CC(C)C)C(=O)N(c3cccc(Br)c3)C(=O)N1[C@@H]2c1ccc(C)cc1 ZINC000038152112 562067117 /nfs/dbraw/zinc/06/71/17/562067117.db2.gz RPFLYDRFZNCVAG-XAYSYOTPSA-N 0 0 538.442 4.687 3 0 KJAFRN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccc(C)cc4)C(=O)N23)cc1 ZINC000038152116 562067148 /nfs/dbraw/zinc/06/71/48/562067148.db2.gz URGMDRNSGBOWRA-BXWHCVCYSA-N 0 0 551.643 4.908 3 0 KJAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]3(Cc3ccc(Cl)cc3)[C@H]2C1=O ZINC000038152118 562067160 /nfs/dbraw/zinc/06/71/60/562067160.db2.gz ZXFZQIAZCDPCAH-YSRRZRNESA-N 0 0 558.034 4.783 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@]12C ZINC000059781948 562702251 /nfs/dbraw/zinc/70/22/51/562702251.db2.gz VAQUCSXHVOLKIF-LDQAXMLRSA-N 0 0 519.779 4.573 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]12C ZINC000059784735 562702271 /nfs/dbraw/zinc/70/22/71/562702271.db2.gz IKKDKEBIRMANSH-LDQAXMLRSA-N 0 0 519.779 4.573 3 0 KJAFRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3cccc(Cl)c3)c(C(=O)NCCCc3ccccc3)c2)OC1(C)C ZINC000059946831 562702469 /nfs/dbraw/zinc/70/24/69/562702469.db2.gz NULLEVBQHUVSDO-NFWVVERESA-N 0 0 540.056 4.620 3 0 KJAFRN CCc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(C)CCCc1ccccc1 ZINC000061897181 562702912 /nfs/dbraw/zinc/70/29/12/562702912.db2.gz RDIYBCZYNPNRHV-UHFFFAOYSA-N 0 0 505.644 4.590 3 0 KJAFRN COc1ccc(Br)c(Cn2c(C)c(C(=O)NCc3ccccc3C(F)(F)F)sc2=O)c1 ZINC000061902702 562702957 /nfs/dbraw/zinc/70/29/57/562702957.db2.gz KZBHRJHFIZNYAH-UHFFFAOYSA-N 0 0 515.351 4.986 3 0 KJAFRN O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)on1 ZINC000061908744 562703133 /nfs/dbraw/zinc/70/31/33/562703133.db2.gz DLBIKWWOWZLONH-INIZCTEOSA-N 0 0 514.966 4.836 3 0 KJAFRN O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccc4cccnc43)C2)on1 ZINC000061908745 562703135 /nfs/dbraw/zinc/70/31/35/562703135.db2.gz DLBIKWWOWZLONH-MRXNPFEDSA-N 0 0 514.966 4.836 3 0 KJAFRN CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3cccs3)[C@H]3CC[C@@H](C2)N3CCOc2ccccc2)cc1 ZINC000061921172 562703162 /nfs/dbraw/zinc/70/31/62/562703162.db2.gz IXCFAGIXBLFCBH-HFZDXXHNSA-N 0 0 522.692 4.651 3 0 KJAFRN COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3cccs3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921656 562703210 /nfs/dbraw/zinc/70/32/10/562703210.db2.gz GLJOHROKLQPXLM-JOCHJYFZSA-N 0 0 511.688 4.731 3 0 KJAFRN COc1ccc(CN2C(=O)[C@H](CC(=O)NCc3cccs3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921657 562703201 /nfs/dbraw/zinc/70/32/01/562703201.db2.gz GLJOHROKLQPXLM-QFIPXVFZSA-N 0 0 511.688 4.731 3 0 KJAFRN CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061922021 562703294 /nfs/dbraw/zinc/70/32/94/562703294.db2.gz VZVYADARRCUARG-RUZDIDTESA-N 0 0 513.613 4.832 3 0 KJAFRN CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061922022 562703311 /nfs/dbraw/zinc/70/33/11/562703311.db2.gz VZVYADARRCUARG-VWLOTQADSA-N 0 0 513.613 4.832 3 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc(F)c2)Oc2ncc(C3=CCCCC3)cc2C1=O ZINC000061922708 562703391 /nfs/dbraw/zinc/70/33/91/562703391.db2.gz IQJPFBRAERWZHU-WYEJZRMESA-N 0 0 510.610 4.562 3 0 KJAFRN O=C(OCc1cn([C@@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923017 562703418 /nfs/dbraw/zinc/70/34/18/562703418.db2.gz MXYQFPXCTMHRFQ-TWJOJJKGSA-N 0 0 523.033 4.744 3 0 KJAFRN CCCCCC(=O)N1C[C@@H](n2cc(COC(=O)c3ccccc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923022 562703422 /nfs/dbraw/zinc/70/34/22/562703422.db2.gz WXXNFACMBMUTRV-UBFVSLLYSA-N 0 0 511.022 4.744 3 0 KJAFRN O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923093 562703428 /nfs/dbraw/zinc/70/34/28/562703428.db2.gz AZTXATCQODFCSU-ZNZIZOMTSA-N 0 0 523.033 4.744 3 0 KJAFRN CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923098 562703420 /nfs/dbraw/zinc/70/34/20/562703420.db2.gz OHOOJCQKLXWWSF-DSITVLBTSA-N 0 0 511.022 4.744 3 0 KJAFRN O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923152 562703434 /nfs/dbraw/zinc/70/34/34/562703434.db2.gz AZTXATCQODFCSU-TWJOJJKGSA-N 0 0 523.033 4.744 3 0 KJAFRN CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(COC(=O)c3ccccc3)nn2)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923155 562703430 /nfs/dbraw/zinc/70/34/30/562703430.db2.gz OHOOJCQKLXWWSF-UBFVSLLYSA-N 0 0 511.022 4.744 3 0 KJAFRN CCc1c(-c2cc(CC)c(-c3cn(Cc4ccccc4)nn3)c(CC)c2)nnn1CC[C@@H]1COCCO1 ZINC000061923328 562703475 /nfs/dbraw/zinc/70/34/75/562703475.db2.gz UYKRNWOYRMXRES-RUZDIDTESA-N 0 0 500.647 4.745 3 0 KJAFRN CCc1c(-c2cc(CC)c(-c3cn(Cc4ccccc4)nn3)c(CC)c2)nnn1CC[C@H]1COCCO1 ZINC000061923330 562703476 /nfs/dbraw/zinc/70/34/76/562703476.db2.gz UYKRNWOYRMXRES-VWLOTQADSA-N 0 0 500.647 4.745 3 0 KJAFRN CCc1c(-c2ccc(-c3cn(CCc4c[nH]c5ccccc45)nn3)c(CC)c2)nnn1CC[C@@H]1COCCO1 ZINC000061923336 562703456 /nfs/dbraw/zinc/70/34/56/562703456.db2.gz VLHRVURIYXABBI-XMMPIXPASA-N 0 0 525.657 4.858 3 0 KJAFRN CCc1c(-c2ccc(-c3cn(CCc4c[nH]c5ccccc45)nn3)c(CC)c2)nnn1CC[C@H]1COCCO1 ZINC000061923338 562703463 /nfs/dbraw/zinc/70/34/63/562703463.db2.gz VLHRVURIYXABBI-DEOSSOPVSA-N 0 0 525.657 4.858 3 0 KJAFRN COc1ccc(CN2C(=O)[C@@H](CC(=O)NC(c3ccccc3)c3ccccc3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923379 562703450 /nfs/dbraw/zinc/70/34/50/562703450.db2.gz KDGBBFICZBDOIG-AREMUKBSSA-N 0 0 525.649 4.702 3 0 KJAFRN COc1ccc(CN2C(=O)[C@H](CC(=O)NC(c3ccccc3)c3ccccc3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923382 562703471 /nfs/dbraw/zinc/70/34/71/562703471.db2.gz KDGBBFICZBDOIG-SANMLTNESA-N 0 0 525.649 4.702 3 0 KJAFRN CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923515 562703473 /nfs/dbraw/zinc/70/34/73/562703473.db2.gz INLGDSVEYOSQMW-VWLOTQADSA-N 0 0 507.650 4.846 3 0 KJAFRN CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923516 562703472 /nfs/dbraw/zinc/70/34/72/562703472.db2.gz INLGDSVEYOSQMW-RUZDIDTESA-N 0 0 507.650 4.846 3 0 KJAFRN CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923532 562703491 /nfs/dbraw/zinc/70/34/91/562703491.db2.gz PAVBRJDKKAEICN-DEOSSOPVSA-N 0 0 518.702 4.619 3 0 KJAFRN CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NCCc2ccccn2)C1 ZINC000061923535 562703487 /nfs/dbraw/zinc/70/34/87/562703487.db2.gz PAVBRJDKKAEICN-XMMPIXPASA-N 0 0 518.702 4.619 3 0 KJAFRN CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923563 562703482 /nfs/dbraw/zinc/70/34/82/562703482.db2.gz ZFJWAEUDJPMJCD-SANMLTNESA-N 0 0 519.686 4.715 3 0 KJAFRN CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923566 562703485 /nfs/dbraw/zinc/70/34/85/562703485.db2.gz ZFJWAEUDJPMJCD-AREMUKBSSA-N 0 0 519.686 4.715 3 0 KJAFRN O=C(OCc1cn([C@H]2CN(Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923670 562703507 /nfs/dbraw/zinc/70/35/07/562703507.db2.gz FUXCQDIAOOJVLO-DSITVLBTSA-N 0 0 509.031 4.899 3 0 KJAFRN CCC/C=C/c1ccc(CN2[C@H](C(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000061923729 562703501 /nfs/dbraw/zinc/70/35/01/562703501.db2.gz RRRPHCMRJVEZHE-NRTJEHLZSA-N 0 0 541.762 4.871 3 0 KJAFRN CCC/C=C/c1ccc(CN2[C@@H](C(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000061923730 562703496 /nfs/dbraw/zinc/70/34/96/562703496.db2.gz RRRPHCMRJVEZHE-WBYFNBFHSA-N 0 0 541.762 4.871 3 0 KJAFRN O=C(OCc1cn([C@@H]2CN(Cc3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923792 562703562 /nfs/dbraw/zinc/70/35/62/562703562.db2.gz FUXCQDIAOOJVLO-UBFVSLLYSA-N 0 0 509.031 4.899 3 0 KJAFRN O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923846 562703538 /nfs/dbraw/zinc/70/35/38/562703538.db2.gz XTVGMFVZOGSPBB-DSITVLBTSA-N 0 0 509.031 4.899 3 0 KJAFRN O=C(OCc1cn([C@H]2CN(C(=O)C3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923888 562703566 /nfs/dbraw/zinc/70/35/66/562703566.db2.gz MXYQFPXCTMHRFQ-ZNZIZOMTSA-N 0 0 523.033 4.744 3 0 KJAFRN CCCCCC(=O)N1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 ZINC000061923893 562703550 /nfs/dbraw/zinc/70/35/50/562703550.db2.gz WXXNFACMBMUTRV-DSITVLBTSA-N 0 0 511.022 4.744 3 0 KJAFRN O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(Cc3cccs3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923956 562703557 /nfs/dbraw/zinc/70/35/57/562703557.db2.gz XTVGMFVZOGSPBB-UBFVSLLYSA-N 0 0 509.031 4.899 3 0 KJAFRN CN1OC[C@@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)[C@H](c3ccc(-c4cccnc4)cc3)C[C@@H]21 ZINC000061924013 562703532 /nfs/dbraw/zinc/70/35/32/562703532.db2.gz VQVUYOSEFHKNED-OYDLWJJNSA-N 0 0 503.546 4.765 3 0 KJAFRN C[C@H](O)[C@@H]1C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000061924216 562703541 /nfs/dbraw/zinc/70/35/41/562703541.db2.gz IWVOPHFBMAXHKM-PXAUIPFGSA-N 0 0 501.414 4.834 3 0 KJAFRN COCOc1ccc(-c2ncc(OCCN3CCCC3=O)nc2NC(=O)c2cc3ccccc3s2)cc1 ZINC000061926128 562703577 /nfs/dbraw/zinc/70/35/77/562703577.db2.gz IXOHIOAJAFRYJR-UHFFFAOYSA-N 0 0 518.595 4.595 3 0 KJAFRN CCc1nc2c(OCc3ccc(C(=O)N(C)C)cc3)cccn2c1N(C)C(=O)Nc1ccccc1OC ZINC000061926211 562703570 /nfs/dbraw/zinc/70/35/70/562703570.db2.gz ZTHPMXNWGFEHFJ-UHFFFAOYSA-N 0 0 501.587 4.854 3 0 KJAFRN COc1ccc(OC(F)(F)F)cc1C[C@]1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21 ZINC000061926585 562703604 /nfs/dbraw/zinc/70/36/04/562703604.db2.gz LESWAOXAXWMMHJ-QHCPKHFHSA-N 0 0 512.550 4.657 3 0 KJAFRN COc1ccc(OC(F)(F)F)cc1C[C@@]1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21 ZINC000061926586 562703571 /nfs/dbraw/zinc/70/35/71/562703571.db2.gz LESWAOXAXWMMHJ-HSZRJFAPSA-N 0 0 512.550 4.657 3 0 KJAFRN CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)Cc1ccc(OC)c(OC)c1 ZINC000061926809 562703580 /nfs/dbraw/zinc/70/35/80/562703580.db2.gz NSWVKGFIUGXYLX-UHFFFAOYSA-N 0 0 532.641 4.758 3 0 KJAFRN COc1cc(-c2cnc3c(NC(C)=O)cc(-c4cc(OC)c(OC)c(OC)c4)cn23)cc(OC)c1OC ZINC000061927561 562703634 /nfs/dbraw/zinc/70/36/34/562703634.db2.gz JIFIMCCORAGMEY-UHFFFAOYSA-N 0 0 507.543 4.678 3 0 KJAFRN COCCN(Cc1ccc(OC)cc1)c1c(C)nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn21 ZINC000061929437 562703639 /nfs/dbraw/zinc/70/36/39/562703639.db2.gz ADMFRSNIOIYBON-UHFFFAOYSA-N 0 0 511.626 4.758 3 0 KJAFRN COCCN(Cc1ccc(OC)cc1)c1c(C)nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cn21 ZINC000061930117 562703647 /nfs/dbraw/zinc/70/36/47/562703647.db2.gz KHZTWBSYRCVBIJ-UHFFFAOYSA-N 0 0 501.587 4.515 3 0 KJAFRN CCc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061930611 562703643 /nfs/dbraw/zinc/70/36/43/562703643.db2.gz UULUZUDNXGQPCA-UHFFFAOYSA-N 0 0 509.452 4.702 3 0 KJAFRN COc1ccc([C@H]2C=CC[C@@H](NS(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccccc2F)cc1 ZINC000061945348 562703830 /nfs/dbraw/zinc/70/38/30/562703830.db2.gz MUOBGGJEGJQISJ-YIXXDRMTSA-N 0 0 508.615 4.910 3 0 KJAFRN CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C ZINC000061946980 562704019 /nfs/dbraw/zinc/70/40/19/562704019.db2.gz MDKNKFXOBJFILI-SKYBXZRDSA-N 0 0 518.702 4.669 3 0 KJAFRN CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C ZINC000061946981 562704015 /nfs/dbraw/zinc/70/40/15/562704015.db2.gz MDKNKFXOBJFILI-BCIHLANJSA-N 0 0 518.702 4.669 3 0 KJAFRN C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000061947006 562704029 /nfs/dbraw/zinc/70/40/29/562704029.db2.gz YCFGEMGFDORJNO-SWWRHANQSA-N 0 0 530.713 4.813 3 0 KJAFRN C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000061947007 562704000 /nfs/dbraw/zinc/70/40/00/562704000.db2.gz YCFGEMGFDORJNO-LOVVFAEGSA-N 0 0 530.713 4.813 3 0 KJAFRN O=C(NCC1CC1)c1cccc2c1C(=O)c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1S2(=O)=O ZINC000061948761 562704288 /nfs/dbraw/zinc/70/42/88/562704288.db2.gz PCEKPHWZULOPSW-UHFFFAOYSA-N 0 0 501.482 4.769 3 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064502284 562706010 /nfs/dbraw/zinc/70/60/10/562706010.db2.gz GQDTXJAQTYCECT-BZZCMJIQSA-N 0 0 618.734 4.742 3 0 KJAFRN C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCCCC1 ZINC000064581853 562708752 /nfs/dbraw/zinc/70/87/52/562708752.db2.gz IJRDNLQWQRRTMV-WHMROJOYSA-N 0 0 593.728 4.820 3 0 KJAFRN CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C ZINC000064600537 562708845 /nfs/dbraw/zinc/70/88/45/562708845.db2.gz BCVVPYHUTVQFIR-GTPADMTISA-N 0 0 558.767 4.995 3 0 KJAFRN 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SVCRRZWVGDMNJA-MUUNZHRXSA-N 0 0 585.174 4.773 3 0 KJAFRN CC(C)[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)nc2)cc1 ZINC000072103049 562720363 /nfs/dbraw/zinc/72/03/63/562720363.db2.gz SVCRRZWVGDMNJA-NDEPHWFRSA-N 0 0 585.174 4.773 3 0 KJAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072103634 562720376 /nfs/dbraw/zinc/72/03/76/562720376.db2.gz KMKPWEXJDSGDKK-MUUNZHRXSA-N 0 0 650.629 4.994 3 0 KJAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072103635 562720387 /nfs/dbraw/zinc/72/03/87/562720387.db2.gz KMKPWEXJDSGDKK-NDEPHWFRSA-N 0 0 650.629 4.994 3 0 KJAFRN COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072104224 562720436 /nfs/dbraw/zinc/72/04/36/562720436.db2.gz GBTJJASCDJEDNM-BALWLHIASA-N 0 0 566.699 4.598 3 0 KJAFRN CCc1ccc([C@H]2C[C@H]3[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4CC(=O)[C@@H]3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000072104260 562720416 /nfs/dbraw/zinc/72/04/16/562720416.db2.gz JLNJRSVGJRFGPA-QVNPJVKASA-N 0 0 556.684 4.704 3 0 KJAFRN O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccnc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000072104284 562720414 /nfs/dbraw/zinc/72/04/14/562720414.db2.gz ZKKRJAYKXVBMAY-MHZLTWQESA-N 0 0 549.553 4.922 3 0 KJAFRN O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccnc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000072104285 562720430 /nfs/dbraw/zinc/72/04/30/562720430.db2.gz ZKKRJAYKXVBMAY-HHHXNRCGSA-N 0 0 549.553 4.922 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)cc2)c1)C1CC1 ZINC000072104297 562720424 /nfs/dbraw/zinc/72/04/24/562720424.db2.gz ODLMCGJKUMSJEN-UHFFFAOYSA-N 0 0 566.702 4.912 3 0 KJAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1 ZINC000072104302 562720435 /nfs/dbraw/zinc/72/04/35/562720435.db2.gz OAINSNISZHYXGW-WJOKGBTCSA-N 0 0 593.794 4.607 3 0 KJAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1 ZINC000072104303 562720427 /nfs/dbraw/zinc/72/04/27/562720427.db2.gz OAINSNISZHYXGW-HKBQPEDESA-N 0 0 593.794 4.607 3 0 KJAFRN CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@]12C ZINC000072104347 562720480 /nfs/dbraw/zinc/72/04/80/562720480.db2.gz COYAKGBDUHPGNO-DUSFWOOLSA-N 0 0 548.728 4.678 3 0 KJAFRN CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@]12C ZINC000072104348 562720486 /nfs/dbraw/zinc/72/04/86/562720486.db2.gz COYAKGBDUHPGNO-QKVJJFNUSA-N 0 0 548.728 4.678 3 0 KJAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cccc2c1C(=O)c1ccc(N3CCCCC3)cc1S2(=O)=O ZINC000072104504 562720482 /nfs/dbraw/zinc/72/04/82/562720482.db2.gz ILMCKVANSPMARK-UHFFFAOYSA-N 0 0 544.551 4.883 3 0 KJAFRN Cc1ccccc1S(=O)(=O)N(C)C[C@@H]1OCc2ccccc2-c2c3ccccc3n(C)c2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072104525 562720491 /nfs/dbraw/zinc/72/04/91/562720491.db2.gz IXIIOBNDFUZJEW-IRYADYCUSA-N 0 0 589.758 4.832 3 0 KJAFRN OC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@H](n2cnc3c2ncnc3NCc2ccc(F)cc2)O1 ZINC000072104783 562720629 /nfs/dbraw/zinc/72/06/29/562720629.db2.gz PSOYGVRRFKFURU-RRPNLBNLSA-N 0 0 524.600 4.636 3 0 KJAFRN CC(C)[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1 ZINC000072105095 562720662 /nfs/dbraw/zinc/72/06/62/562720662.db2.gz ATFWUWMCCYSVTG-GDLZYMKVSA-N 0 0 549.741 4.724 3 0 KJAFRN CC(C)[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1 ZINC000072105096 562720640 /nfs/dbraw/zinc/72/06/40/562720640.db2.gz ATFWUWMCCYSVTG-LJAQVGFWSA-N 0 0 549.741 4.724 3 0 KJAFRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2)cc1 ZINC000072105099 562720658 /nfs/dbraw/zinc/72/06/58/562720658.db2.gz BVFCNUFFLUPKSL-HHHXNRCGSA-N 0 0 552.675 4.727 3 0 KJAFRN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2)cc1 ZINC000072105100 562720678 /nfs/dbraw/zinc/72/06/78/562720678.db2.gz BVFCNUFFLUPKSL-MHZLTWQESA-N 0 0 552.675 4.727 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000072105242 562720757 /nfs/dbraw/zinc/72/07/57/562720757.db2.gz CTCUQDBEAMVDEF-DSTDORTESA-N 0 0 705.871 4.743 3 0 KJAFRN CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc32)[C@H]2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000072119767 562723873 /nfs/dbraw/zinc/72/38/73/562723873.db2.gz DJBUDOBJWIEXEH-JVGXHWGJSA-N 0 0 544.673 4.825 3 0 KJAFRN O=c1[nH]c2ccccc2n1C1CCN([C@@H](c2nnnn2Cc2ccccc2)c2cccc3ccccc32)CC1 ZINC000072119986 562723925 /nfs/dbraw/zinc/72/39/25/562723925.db2.gz CSXZALAUYGNOIX-GDLZYMKVSA-N 0 0 515.621 4.944 3 0 KJAFRN O=c1[nH]c2ccccc2n1C1CCN([C@H](c2nnnn2Cc2ccccc2)c2cccc3ccccc32)CC1 ZINC000072119988 562723890 /nfs/dbraw/zinc/72/38/90/562723890.db2.gz CSXZALAUYGNOIX-LJAQVGFWSA-N 0 0 515.621 4.944 3 0 KJAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1nnnn1C1CCCCC1)c1cccc3ccccc31)CC2 ZINC000072119989 562723944 /nfs/dbraw/zinc/72/39/44/562723944.db2.gz PMDPIXGLBLOFDH-NDEPHWFRSA-N 0 0 521.669 4.849 3 0 KJAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1C1CCCCC1)c1cccc3ccccc31)CC2 ZINC000072119990 562723942 /nfs/dbraw/zinc/72/39/42/562723942.db2.gz PMDPIXGLBLOFDH-MUUNZHRXSA-N 0 0 521.669 4.849 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCCCC4)C3)c2)c1)C1CC1 ZINC000072120484 562724046 /nfs/dbraw/zinc/72/40/46/562724046.db2.gz ZGTIERQBDCEVSD-RUZDIDTESA-N 0 0 544.696 4.860 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)[C@H]3CCCN(C(=O)C4CCCCC4)C3)c2)c1)C1CC1 ZINC000072120485 562724076 /nfs/dbraw/zinc/72/40/76/562724076.db2.gz ZGTIERQBDCEVSD-VWLOTQADSA-N 0 0 544.696 4.860 3 0 KJAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072120489 562724077 /nfs/dbraw/zinc/72/40/77/562724077.db2.gz XLRYMYTWMMTYJR-HHHXNRCGSA-N 0 0 636.602 4.604 3 0 KJAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(CCC3OCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072120490 562724078 /nfs/dbraw/zinc/72/40/78/562724078.db2.gz XLRYMYTWMMTYJR-MHZLTWQESA-N 0 0 636.602 4.604 3 0 KJAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000072120562 562724088 /nfs/dbraw/zinc/72/40/88/562724088.db2.gz ZDWNTRHWHVZQGV-GOSISDBHSA-N 0 0 505.217 4.991 3 0 KJAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000072120563 562724125 /nfs/dbraw/zinc/72/41/25/562724125.db2.gz ZDWNTRHWHVZQGV-SFHVURJKSA-N 0 0 505.217 4.991 3 0 KJAFRN COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072120621 562724087 /nfs/dbraw/zinc/72/40/87/562724087.db2.gz DRXPWQRVAYGNJZ-FYQCMVGJSA-N 0 0 581.714 4.533 3 0 KJAFRN COc1ccc(-n2nnnc2[C@@H](c2ccnc3ccccc32)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072121454 562724266 /nfs/dbraw/zinc/72/42/66/562724266.db2.gz KKQGJNMYLIDDHN-XZFVFQLPSA-N 0 0 517.637 4.640 3 0 KJAFRN COc1ccc(-n2nnnc2[C@H](c2ccnc3ccccc32)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072121455 562724281 /nfs/dbraw/zinc/72/42/81/562724281.db2.gz KKQGJNMYLIDDHN-CASQCGHMSA-N 0 0 517.637 4.640 3 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072121490 562724255 /nfs/dbraw/zinc/72/42/55/562724255.db2.gz OMNPDJXLWRDGEE-IPVFLDMMSA-N 0 0 581.760 4.585 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CCC4)CC3)cc2)cc1)C1CCCC1 ZINC000072121496 562724248 /nfs/dbraw/zinc/72/42/48/562724248.db2.gz WHUMRQDGKFUXLK-UHFFFAOYSA-N 0 0 544.696 4.860 3 0 KJAFRN COc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072121982 562724316 /nfs/dbraw/zinc/72/43/16/562724316.db2.gz NDENTXOBJLUYAM-SSEXGKCCSA-N 0 0 579.767 4.733 3 0 KJAFRN COc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072121983 562724325 /nfs/dbraw/zinc/72/43/25/562724325.db2.gz NDENTXOBJLUYAM-PMERELPUSA-N 0 0 579.767 4.733 3 0 KJAFRN FC(F)(F)Oc1ccccc1[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072122005 562724306 /nfs/dbraw/zinc/72/43/06/562724306.db2.gz AJDIKDCXDSPVPT-NTMKBESRSA-N 0 0 578.595 4.753 3 0 KJAFRN FC(F)(F)Oc1ccccc1[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072122006 562724335 /nfs/dbraw/zinc/72/43/35/562724335.db2.gz AJDIKDCXDSPVPT-ZKCYFKEXSA-N 0 0 578.595 4.753 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]12C ZINC000072123490 562724721 /nfs/dbraw/zinc/72/47/21/562724721.db2.gz VAQUCSXHVOLKIF-ZQDYSYBYSA-N 0 0 519.779 4.573 3 0 KJAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072126846 562725476 /nfs/dbraw/zinc/72/54/76/562725476.db2.gz BHOUJFFNOKAHEL-MEXPPZTLSA-N 0 0 686.850 4.946 3 0 KJAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072126847 562725468 /nfs/dbraw/zinc/72/54/68/562725468.db2.gz BHOUJFFNOKAHEL-KNLHPGGTSA-N 0 0 686.850 4.946 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000072127041 562725642 /nfs/dbraw/zinc/72/56/42/562725642.db2.gz PEHWLDDZWQGNOT-ASHZAFPQSA-N 0 0 634.677 4.890 3 0 KJAFRN CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127632 562725722 /nfs/dbraw/zinc/72/57/22/562725722.db2.gz OKTFJFHEHCORNH-PJDPLPEPSA-N 0 0 648.248 4.925 3 0 KJAFRN COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)c4[nH]c5cc(CCC(=O)N(C)C)ccc5c4CCN3C2=O)cc1OC ZINC000072127638 562725701 /nfs/dbraw/zinc/72/57/01/562725701.db2.gz STXVACZITZDWKS-WJFJWEARSA-N 0 0 687.882 4.794 3 0 KJAFRN CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127644 562725724 /nfs/dbraw/zinc/72/57/24/562725724.db2.gz OWDNARYFSQRKDS-ZQOCELRHSA-N 0 0 683.894 4.606 3 0 KJAFRN CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127645 562725778 /nfs/dbraw/zinc/72/57/78/562725778.db2.gz OWDNARYFSQRKDS-AOOJAZHRSA-N 0 0 683.894 4.606 3 0 KJAFRN CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCc1ccccn1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127669 562725786 /nfs/dbraw/zinc/72/57/86/562725786.db2.gz QHWOZGJSNJHNCQ-SPKTZTCTSA-N 0 0 702.812 4.776 3 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000072127700 562725796 /nfs/dbraw/zinc/72/57/96/562725796.db2.gz KVVKXVOLFRVKSY-PNCHPQGNSA-N 0 0 640.706 4.952 3 0 KJAFRN O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1ccco1 ZINC000072127842 562725937 /nfs/dbraw/zinc/72/59/37/562725937.db2.gz BRYKFXNWLFYNBE-CFVKZYLDSA-N 0 0 586.733 4.513 3 0 KJAFRN O=C(C[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1ccco1 ZINC000072127843 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C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000072136889 562728185 /nfs/dbraw/zinc/72/81/85/562728185.db2.gz AHUZFXYFUYFNSB-IMWIBFENSA-N 0 0 611.708 4.920 3 0 KJAFRN CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072136906 562728191 /nfs/dbraw/zinc/72/81/91/562728191.db2.gz CWNOBCJCKWGNGM-RVPQTZJASA-N 0 0 663.741 4.600 3 0 KJAFRN CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072136907 562728184 /nfs/dbraw/zinc/72/81/84/562728184.db2.gz CWNOBCJCKWGNGM-WHMROJOYSA-N 0 0 663.741 4.600 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000072137471 562728253 /nfs/dbraw/zinc/72/82/53/562728253.db2.gz RNJYDPDYKKSVJS-ASHZAFPQSA-N 0 0 634.677 4.890 3 0 KJAFRN O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 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ZINC000072138083 562728610 /nfs/dbraw/zinc/72/86/10/562728610.db2.gz DKQLCEBSVBKMLB-OAQYLSRUSA-N 0 0 556.132 4.742 3 0 KJAFRN C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072138084 562728625 /nfs/dbraw/zinc/72/86/25/562728625.db2.gz DKQLCEBSVBKMLB-NRFANRHFSA-N 0 0 556.132 4.742 3 0 KJAFRN COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O ZINC000072138166 562728674 /nfs/dbraw/zinc/72/86/74/562728674.db2.gz WXDNUSQCROTGEF-KQYRIMJJSA-N 0 0 683.894 4.593 3 0 KJAFRN O=C(C[C@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@@H](CO)Cc1ccccc1 ZINC000072138170 562728648 /nfs/dbraw/zinc/72/86/48/562728648.db2.gz OURCUTDTVPFQQW-QYDHJYHASA-N 0 0 586.704 4.851 3 0 KJAFRN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072138200 562728676 /nfs/dbraw/zinc/72/86/76/562728676.db2.gz GTYKJOKWQTUGAM-BBANNHEPSA-N 0 0 589.758 4.832 3 0 KJAFRN CC(C)[C@@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072138241 562728688 /nfs/dbraw/zinc/72/86/88/562728688.db2.gz PGIPNPHERMCVFU-MUUNZHRXSA-N 0 0 636.602 4.604 3 0 KJAFRN CC(C)[C@H]1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072138242 562728689 /nfs/dbraw/zinc/72/86/89/562728689.db2.gz PGIPNPHERMCVFU-NDEPHWFRSA-N 0 0 636.602 4.604 3 0 KJAFRN O=c1[nH]c2ccccc2n1C1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccccc2OC(F)(F)F)CC1 ZINC000072138321 562728738 /nfs/dbraw/zinc/72/87/38/562728738.db2.gz IRGYEUFDUWSHST-RUZDIDTESA-N 0 0 549.557 4.690 3 0 KJAFRN O=c1[nH]c2ccccc2n1C1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccccc2OC(F)(F)F)CC1 ZINC000072138322 562728739 /nfs/dbraw/zinc/72/87/39/562728739.db2.gz IRGYEUFDUWSHST-VWLOTQADSA-N 0 0 549.557 4.690 3 0 KJAFRN O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000072138407 562728762 /nfs/dbraw/zinc/72/87/62/562728762.db2.gz DTKVBNZNKFXGOR-FVRFUWMBSA-N 0 0 526.633 4.793 3 0 KJAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072138480 562728783 /nfs/dbraw/zinc/72/87/83/562728783.db2.gz YVEWAVYXHWETDT-MUUNZHRXSA-N 0 0 582.126 4.829 3 0 KJAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072138481 562728765 /nfs/dbraw/zinc/72/87/65/562728765.db2.gz YVEWAVYXHWETDT-NDEPHWFRSA-N 0 0 582.126 4.829 3 0 KJAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000072138485 562728763 /nfs/dbraw/zinc/72/87/63/562728763.db2.gz NBRSDVRWKBKSDU-UHFFFAOYSA-N 0 0 552.675 4.985 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)c2)cc1)C1CC1 ZINC000072138495 562728809 /nfs/dbraw/zinc/72/88/09/562728809.db2.gz IJWHBIZTVLCZKM-UHFFFAOYSA-N 0 0 538.648 4.593 3 0 KJAFRN CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072138506 562728830 /nfs/dbraw/zinc/72/88/30/562728830.db2.gz WHCYYGLPVYXKSF-MOOLQHMISA-N 0 0 716.235 4.749 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)C4CCCC4)CC3)c2)c1)C1CCC1 ZINC000072138558 562728826 /nfs/dbraw/zinc/72/88/26/562728826.db2.gz HDMDRISNELZPGI-UHFFFAOYSA-N 0 0 544.696 4.860 3 0 KJAFRN O=C(C[C@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000072138571 562728828 /nfs/dbraw/zinc/72/88/28/562728828.db2.gz OURCUTDTVPFQQW-CXMFYOGJSA-N 0 0 586.704 4.851 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O ZINC000072138581 562728829 /nfs/dbraw/zinc/72/88/29/562728829.db2.gz MAHZWSVOOHLGKI-TUEWKVEFSA-N 0 0 636.712 4.930 3 0 KJAFRN CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)c1 ZINC000072139409 562728890 /nfs/dbraw/zinc/72/88/90/562728890.db2.gz FLWGZZBQTUNHTD-UHFFFAOYSA-N 0 0 552.675 4.727 3 0 KJAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1nnnn1C1CCCCC1)c1ccccc1OC(F)(F)F)CC2 ZINC000072139440 562728922 /nfs/dbraw/zinc/72/89/22/562728922.db2.gz MOYHVOAFKAHUQK-DEOSSOPVSA-N 0 0 555.605 4.595 3 0 KJAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1C1CCCCC1)c1ccccc1OC(F)(F)F)CC2 ZINC000072139441 562728936 /nfs/dbraw/zinc/72/89/36/562728936.db2.gz MOYHVOAFKAHUQK-XMMPIXPASA-N 0 0 555.605 4.595 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)c2)cc1)C1CC1 ZINC000072139476 562728925 /nfs/dbraw/zinc/72/89/25/562728925.db2.gz BOCJOMVWMBGDBX-RUZDIDTESA-N 0 0 538.648 4.593 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)c2)cc1)C1CC1 ZINC000072139477 562728980 /nfs/dbraw/zinc/72/89/80/562728980.db2.gz BOCJOMVWMBGDBX-VWLOTQADSA-N 0 0 538.648 4.593 3 0 KJAFRN COc1ccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cn1 ZINC000072139584 562728968 /nfs/dbraw/zinc/72/89/68/562728968.db2.gz VBLFKNOMBVMGLW-GDLZYMKVSA-N 0 0 594.782 4.518 3 0 KJAFRN COc1ccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cn1 ZINC000072139585 562728977 /nfs/dbraw/zinc/72/89/77/562728977.db2.gz VBLFKNOMBVMGLW-LJAQVGFWSA-N 0 0 594.782 4.518 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000072139620 562729032 /nfs/dbraw/zinc/72/90/32/562729032.db2.gz DDCRIZNJRHUCRO-FYQCMVGJSA-N 0 0 551.688 4.525 3 0 KJAFRN CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072139678 562729029 /nfs/dbraw/zinc/72/90/29/562729029.db2.gz YMANBSKVEMSMSD-MUUNZHRXSA-N 0 0 559.751 4.995 3 0 KJAFRN CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072139679 562729031 /nfs/dbraw/zinc/72/90/31/562729031.db2.gz YMANBSKVEMSMSD-NDEPHWFRSA-N 0 0 559.751 4.995 3 0 KJAFRN O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000072139806 562729059 /nfs/dbraw/zinc/72/90/59/562729059.db2.gz UDXLZRDTGQGCED-YGJQFJFHSA-N 0 0 565.626 4.827 3 0 KJAFRN CC(C)(C)[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1 ZINC000072139816 562729062 /nfs/dbraw/zinc/72/90/62/562729062.db2.gz ZDTLZVWKRRKPDB-FLGBYAAESA-N 0 0 566.714 4.525 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000072139852 562729097 /nfs/dbraw/zinc/72/90/97/562729097.db2.gz NYIHEBMICRUWFQ-FYQCMVGJSA-N 0 0 545.640 4.715 3 0 KJAFRN COc1ccc(-n2nnnc2[C@@H](c2ccccc2OC(F)(F)F)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000072139941 562729111 /nfs/dbraw/zinc/72/91/11/562729111.db2.gz GHTDYGDPRCLIQW-RUZDIDTESA-N 0 0 565.556 4.639 3 0 KJAFRN COc1ccc(-n2nnnc2[C@H](c2ccccc2OC(F)(F)F)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000072139942 562729136 /nfs/dbraw/zinc/72/91/36/562729136.db2.gz GHTDYGDPRCLIQW-VWLOTQADSA-N 0 0 565.556 4.639 3 0 KJAFRN O=c1[nH]c2ccccc2n1C1CCN([C@H](c2nnnn2C2CCCCC2)c2ccnc3ccccc32)CC1 ZINC000072139944 562729141 /nfs/dbraw/zinc/72/91/41/562729141.db2.gz IDPJRHYEISJWGT-MHZLTWQESA-N 0 0 508.630 4.796 3 0 KJAFRN O=c1[nH]c2ccccc2n1C1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccnc3ccccc32)CC1 ZINC000072139945 562729147 /nfs/dbraw/zinc/72/91/47/562729147.db2.gz IDPJRHYEISJWGT-HHHXNRCGSA-N 0 0 508.630 4.796 3 0 KJAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1 ZINC000072140730 562729137 /nfs/dbraw/zinc/72/91/37/562729137.db2.gz FMJJYRQEGCMRBW-GDLZYMKVSA-N 0 0 564.756 4.509 3 0 KJAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccncc2)cc1 ZINC000072140731 562729119 /nfs/dbraw/zinc/72/91/19/562729119.db2.gz FMJJYRQEGCMRBW-LJAQVGFWSA-N 0 0 564.756 4.509 3 0 KJAFRN COc1ccc(-n2nnnc2[C@@H](CCc2ccccc2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072140888 562729192 /nfs/dbraw/zinc/72/91/92/562729192.db2.gz DZPCLMYRRDKKSW-HHHXNRCGSA-N 0 0 509.614 4.737 3 0 KJAFRN COc1ccc(-n2nnnc2[C@H](CCc2ccccc2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072140889 562729197 /nfs/dbraw/zinc/72/91/97/562729197.db2.gz DZPCLMYRRDKKSW-MHZLTWQESA-N 0 0 509.614 4.737 3 0 KJAFRN CCc1cc(-c2nnn(CC[C@@H]3COCCO3)c2C(C)(C)O)ccc1-c1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000072140905 562729205 /nfs/dbraw/zinc/72/92/05/562729205.db2.gz MMFUZXBEPLYVAC-XMMPIXPASA-N 0 0 555.683 4.523 3 0 KJAFRN CCc1cc(-c2nnn(CC[C@H]3COCCO3)c2C(C)(C)O)ccc1-c1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000072140906 562729194 /nfs/dbraw/zinc/72/91/94/562729194.db2.gz MMFUZXBEPLYVAC-DEOSSOPVSA-N 0 0 555.683 4.523 3 0 KJAFRN O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCCN1CCOCC1 ZINC000072140948 562729272 /nfs/dbraw/zinc/72/92/72/562729272.db2.gz WZZDUWGPEFSALC-REOUMGPISA-N 0 0 660.259 4.521 3 0 KJAFRN Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C(=O)C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]34)[C@@H]2c2cccc3ccccc32)cc1 ZINC000072140960 562729269 /nfs/dbraw/zinc/72/92/69/562729269.db2.gz XKFIXDPVFCQAEF-JPQUJUHESA-N 0 0 578.690 4.900 3 0 KJAFRN Cc1ccccc1S(=O)(=O)N1C[C@@H]2[C@@H](C(=O)C[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)[C@@H]1c1ccc(Cl)cc1 ZINC000072141081 562729232 /nfs/dbraw/zinc/72/92/32/562729232.db2.gz AAFFNDJZZCYJIG-PBSZENBHSA-N 0 0 555.096 4.533 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)c1)C1CCCCC1 ZINC000072141236 562729349 /nfs/dbraw/zinc/72/93/49/562729349.db2.gz MRVLSOUHMURJRU-UHFFFAOYSA-N 0 0 544.696 4.860 3 0 KJAFRN CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2)c1 ZINC000072141712 562729404 /nfs/dbraw/zinc/72/94/04/562729404.db2.gz VEOKLQIOLPEGRJ-HHHXNRCGSA-N 0 0 552.675 4.727 3 0 KJAFRN CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2)c1 ZINC000072141714 562729419 /nfs/dbraw/zinc/72/94/19/562729419.db2.gz VEOKLQIOLPEGRJ-MHZLTWQESA-N 0 0 552.675 4.727 3 0 KJAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000072142229 562729475 /nfs/dbraw/zinc/72/94/75/562729475.db2.gz WUAHTVVSDWGFBZ-GOTSBHOMSA-N 0 0 724.897 4.680 3 0 KJAFRN CC(C)(C)OC(=O)CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)nn1 ZINC000072142235 562729476 /nfs/dbraw/zinc/72/94/76/562729476.db2.gz SYOCYNFPVHSYOY-RSXGOPAZSA-N 0 0 658.797 4.535 3 0 KJAFRN CC(C)(C)OC(=O)CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)nn1 ZINC000072142236 562729460 /nfs/dbraw/zinc/72/94/60/562729460.db2.gz SYOCYNFPVHSYOY-AHWVRZQESA-N 0 0 658.797 4.535 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)C4CCCCC4)CC3)c2)cc1)C1CC1 ZINC000072142434 562729510 /nfs/dbraw/zinc/72/95/10/562729510.db2.gz WRTVFJXLFCUAEX-UHFFFAOYSA-N 0 0 544.696 4.860 3 0 KJAFRN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000072142527 562729561 /nfs/dbraw/zinc/72/95/61/562729561.db2.gz DCIKUJLYHDCMMI-GGUMNFRJSA-N 0 0 640.706 4.952 3 0 KJAFRN CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NC(C)(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072151426 562730069 /nfs/dbraw/zinc/73/00/69/562730069.db2.gz CWSAMKZMEQWAFP-KXFYALTPSA-N 0 0 653.780 4.936 3 0 KJAFRN NC(=O)[C@H]1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000072152048 562730126 /nfs/dbraw/zinc/73/01/26/562730126.db2.gz ZMBXSYQICXRAIM-BIMVPBQRSA-N 0 0 637.092 4.852 3 0 KJAFRN NC(=O)[C@H]1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000072152049 562730102 /nfs/dbraw/zinc/73/01/02/562730102.db2.gz ZMBXSYQICXRAIM-QTQRRKOQSA-N 0 0 637.092 4.852 3 0 KJAFRN O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000072152778 562730149 /nfs/dbraw/zinc/73/01/49/562730149.db2.gz UFTROPFHHLJMCU-LUDBZKNPSA-N 0 0 665.787 4.504 3 0 KJAFRN CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccco1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072153238 562730160 /nfs/dbraw/zinc/73/01/60/562730160.db2.gz XVHFHNPRRBIBRV-GXZJKXPFSA-N 0 0 677.758 4.931 3 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072160873 562730214 /nfs/dbraw/zinc/73/02/14/562730214.db2.gz DGRRPXKQMLQOQN-UYCCPRBBSA-N 0 0 695.838 4.751 3 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072164553 562730249 /nfs/dbraw/zinc/73/02/49/562730249.db2.gz MJQKHCWYHYTJAR-TZHCILSOSA-N 0 0 683.802 4.881 3 0 KJAFRN CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000082143149 562739655 /nfs/dbraw/zinc/73/96/55/562739655.db2.gz XUTBOEKKIYQPJC-YTSDCOTRSA-N 0 0 753.001 4.618 3 0 KJAFRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCCCNC(=O)c2[nH]cnc2C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000095548133 562759132 /nfs/dbraw/zinc/75/91/32/562759132.db2.gz NXMFORYJSZYRAB-UHFFFAOYSA-N 0 0 772.864 4.627 3 0 KJAFRN COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(CCC4CCCC4)c4[nH]c5cc(CCC(=O)N(C)C)ccc5c4CCN3C2=O)cc1OC ZINC000095548214 562759153 /nfs/dbraw/zinc/75/91/53/562759153.db2.gz FYJRJYICKAGMKD-DPYVDFQKSA-N 0 0 755.957 4.958 3 0 KJAFRN CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000095548701 562759378 /nfs/dbraw/zinc/75/93/78/562759378.db2.gz XJGUIJWGLJPGQI-YAWLNMRVSA-N 0 0 762.874 4.621 3 0 KJAFRN CCOC(=O)C12CCCC=C1N(Cc1ccco1)C(=O)C(CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095564820 562764459 /nfs/dbraw/zinc/76/44/59/562764459.db2.gz FKCAKNGCPFGKLX-GSRJPJLQSA-N 0 0 508.659 4.968 3 0 KJAFRN O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000095565777 562764697 /nfs/dbraw/zinc/76/46/97/562764697.db2.gz FMDSNIQSTLJGTK-UHFFFAOYSA-N 0 0 500.443 4.846 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O ZINC000095566357 562764917 /nfs/dbraw/zinc/76/49/17/562764917.db2.gz IDICBOGPMQOFGC-MQBJWECPSA-N 0 0 616.759 4.902 3 0 KJAFRN CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095566437 562765049 /nfs/dbraw/zinc/76/50/49/562765049.db2.gz RKYZJKLNTURKTQ-DNRSQYFGSA-N 0 0 516.704 4.585 3 0 KJAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000095566598 562765062 /nfs/dbraw/zinc/76/50/62/562765062.db2.gz SZLJMJXZYMIYKZ-DFXYEROKSA-N 0 0 602.515 4.927 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095566639 562765119 /nfs/dbraw/zinc/76/51/19/562765119.db2.gz LHAMTMRHOAEOGZ-WBBHLRKXSA-N 0 0 518.654 4.656 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095566666 562765120 /nfs/dbraw/zinc/76/51/20/562765120.db2.gz AXNXTRGAJJRFQW-OSPHWJPCSA-N 0 0 511.471 4.535 3 0 KJAFRN CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095566715 562765194 /nfs/dbraw/zinc/76/51/94/562765194.db2.gz RKYZJKLNTURKTQ-UCGXPXSYSA-N 0 0 516.704 4.585 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095566735 562765250 /nfs/dbraw/zinc/76/52/50/562765250.db2.gz ZXIDHQAEXTTYTA-CJAUYULYSA-N 0 0 504.505 4.581 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3cccc4ccccc43)C1=CCCCC2 ZINC000095566760 562765229 /nfs/dbraw/zinc/76/52/29/562765229.db2.gz KCOGNDIKXGGLJJ-SFRLIIPVSA-N 0 0 583.685 4.773 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCCCC2 ZINC000095566789 562765236 /nfs/dbraw/zinc/76/52/36/562765236.db2.gz HOQRPHDSCPVZNF-GOXGLGGOSA-N 0 0 546.664 4.910 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)c1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000095566793 562765237 /nfs/dbraw/zinc/76/52/37/562765237.db2.gz UKDBDRYJWYYPEO-MHZLTWQESA-N 0 0 552.675 4.985 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000095566794 562765268 /nfs/dbraw/zinc/76/52/68/562765268.db2.gz UKDBDRYJWYYPEO-HHHXNRCGSA-N 0 0 552.675 4.985 3 0 KJAFRN COc1ccc(C(=O)c2[nH]c(N)c(C(=O)NCCc3c[nH]c4ccccc34)c2-c2ccc(OC)c(OC)c2)cc1 ZINC000095566874 562765322 /nfs/dbraw/zinc/76/53/22/562765322.db2.gz MSRKNKVHEOIOKL-UHFFFAOYSA-N 0 0 538.604 4.975 3 0 KJAFRN CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095566905 562765387 /nfs/dbraw/zinc/76/53/87/562765387.db2.gz RKYZJKLNTURKTQ-DFCKQENNSA-N 0 0 516.704 4.585 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3cccc4ccccc43)C1=CCC(C)(C)C2 ZINC000095567004 562765435 /nfs/dbraw/zinc/76/54/35/562765435.db2.gz WCUCOWCJAYASKI-OOXUFLSTSA-N 0 0 571.718 4.523 3 0 KJAFRN CN(CCc1ccccc1)[C@H](C(=O)c1ccc2c(c1)OCO2)c1nnnn1-c1ccccc1NC(=O)OC(C)(C)C ZINC000095567022 562765403 /nfs/dbraw/zinc/76/54/03/562765403.db2.gz DDUWDIFZVVFHBQ-AREMUKBSSA-N 0 0 556.623 4.837 3 0 KJAFRN CN(CCc1ccccc1)[C@@H](C(=O)c1ccc2c(c1)OCO2)c1nnnn1-c1ccccc1NC(=O)OC(C)(C)C ZINC000095567023 562765439 /nfs/dbraw/zinc/76/54/39/562765439.db2.gz DDUWDIFZVVFHBQ-SANMLTNESA-N 0 0 556.623 4.837 3 0 KJAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095567063 562765501 /nfs/dbraw/zinc/76/55/01/562765501.db2.gz LFSFSXVVLAKPPY-VUKRRIEASA-N 0 0 616.759 4.902 3 0 KJAFRN CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c4ccc(CCC(=O)N(C)C)cc4[nH]c3[C@]12C ZINC000095567113 562765512 /nfs/dbraw/zinc/76/55/12/562765512.db2.gz SVHNDCFUASKHSA-HBHMWIPXSA-N 0 0 617.835 4.690 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567140 562765539 /nfs/dbraw/zinc/76/55/39/562765539.db2.gz HRGVVTOWQOHPBJ-OSWQYVSFSA-N 0 0 599.610 4.737 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095567154 562765513 /nfs/dbraw/zinc/76/55/13/562765513.db2.gz ONVAFZKGIZMKHJ-ZBLYBZFDSA-N 0 0 514.544 4.988 3 0 KJAFRN CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(C(=O)N(C)C)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095567186 562765611 /nfs/dbraw/zinc/76/56/11/562765611.db2.gz TYBSUWGSJMEJTO-HHUGKLBUSA-N 0 0 562.736 4.568 3 0 KJAFRN CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(C(=O)N(C)C)c4)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095567187 562765607 /nfs/dbraw/zinc/76/56/07/562765607.db2.gz TYBSUWGSJMEJTO-YKPJRVAWSA-N 0 0 562.736 4.568 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095567320 562765710 /nfs/dbraw/zinc/76/57/10/562765710.db2.gz OUQHIGQKOGOYOP-QCBOHVIISA-N 0 0 592.733 4.716 3 0 KJAFRN CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095567388 562765743 /nfs/dbraw/zinc/76/57/43/562765743.db2.gz RKYZJKLNTURKTQ-RZFJZAQRSA-N 0 0 516.704 4.585 3 0 KJAFRN COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCCO3)n2c3ccccc3nc(-c3ccco3)c2=O)cc1 ZINC000095567398 562765775 /nfs/dbraw/zinc/76/57/75/562765775.db2.gz DHFYOKSFSFVCLE-MHZLTWQESA-N 0 0 509.518 4.664 3 0 KJAFRN COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCCO3)n2c3ccccc3nc(-c3ccco3)c2=O)cc1 ZINC000095567399 562765750 /nfs/dbraw/zinc/76/57/50/562765750.db2.gz DHFYOKSFSFVCLE-HHHXNRCGSA-N 0 0 509.518 4.664 3 0 KJAFRN CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OCC)CCCC=C3N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000095567409 562765769 /nfs/dbraw/zinc/76/57/69/562765769.db2.gz IMKQVCKADKVULP-NGOKVRLYSA-N 0 0 580.509 4.650 3 0 KJAFRN COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095567427 562765797 /nfs/dbraw/zinc/76/57/97/562765797.db2.gz FBWBVOGGQWLZMC-CJAUYULYSA-N 0 0 511.446 4.502 3 0 KJAFRN CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095567461 562765791 /nfs/dbraw/zinc/76/57/91/562765791.db2.gz QPRQQFBFJRRTIR-HXTUKJGWSA-N 0 0 669.823 4.777 3 0 KJAFRN CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095567462 562765810 /nfs/dbraw/zinc/76/58/10/562765810.db2.gz QPRQQFBFJRRTIR-UBPSGZLKSA-N 0 0 669.823 4.777 3 0 KJAFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(F)cc5c4OCOC5)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000095567521 562765892 /nfs/dbraw/zinc/76/58/92/562765892.db2.gz USFSKJKMYYILHO-LRVRFXTPSA-N 0 0 655.698 4.949 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095567541 562765913 /nfs/dbraw/zinc/76/59/13/562765913.db2.gz WAMFFYSVEUUPHA-MRHQGJBWSA-N 0 0 665.853 4.984 3 0 KJAFRN COc1ccccc1-c1cccc(-c2nc(C(=O)Nc3nccs3)cc3c2[C@@H](CCO)N(C(C)=O)C3)c1 ZINC000095567658 562765995 /nfs/dbraw/zinc/76/59/95/562765995.db2.gz LHKRTOSOWSAHNC-HSZRJFAPSA-N 0 0 514.607 4.919 3 0 KJAFRN COc1ccccc1-c1cccc(-c2nc(C(=O)Nc3nccs3)cc3c2[C@H](CCO)N(C(C)=O)C3)c1 ZINC000095567715 562766032 /nfs/dbraw/zinc/76/60/32/562766032.db2.gz LHKRTOSOWSAHNC-QHCPKHFHSA-N 0 0 514.607 4.919 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CCCCC4)CC3)cc2)c1)C1CC1 ZINC000095567730 562766012 /nfs/dbraw/zinc/76/60/12/562766012.db2.gz LLHZUEVPFOEUTJ-UHFFFAOYSA-N 0 0 544.696 4.860 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095567772 562766090 /nfs/dbraw/zinc/76/60/90/562766090.db2.gz ZEFUYZLHDHCGEM-DJUQAAIZSA-N 0 0 524.658 4.676 3 0 KJAFRN CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NC(C)(C)C)C[C@H](C(=O)N3CCOCC3)[C@@]12CCC1CCCC1 ZINC000095567946 562766188 /nfs/dbraw/zinc/76/61/88/562766188.db2.gz WFCWXLMYTYDIJV-BOCHCHAHSA-N 0 0 661.888 4.539 3 0 KJAFRN CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095567958 562766198 /nfs/dbraw/zinc/76/61/98/562766198.db2.gz XWJIHBFGDVZRQI-RUZDIDTESA-N 0 0 523.718 4.552 3 0 KJAFRN CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095567959 562766187 /nfs/dbraw/zinc/76/61/87/562766187.db2.gz XWJIHBFGDVZRQI-VWLOTQADSA-N 0 0 523.718 4.552 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095568049 562766285 /nfs/dbraw/zinc/76/62/85/562766285.db2.gz AVVDWRBJWVQGCA-AXEVQNCQSA-N 0 0 548.680 4.714 3 0 KJAFRN COCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095568053 562766281 /nfs/dbraw/zinc/76/62/81/562766281.db2.gz XUGLZEHNFUTNBM-RUZDIDTESA-N 0 0 507.675 4.651 3 0 KJAFRN COCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc32)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095568054 562766274 /nfs/dbraw/zinc/76/62/74/562766274.db2.gz XUGLZEHNFUTNBM-VWLOTQADSA-N 0 0 507.675 4.651 3 0 KJAFRN CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OC)CCCCC=C3N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000095568125 562766310 /nfs/dbraw/zinc/76/63/10/562766310.db2.gz CIMRSRFWXXQXQC-NGOKVRLYSA-N 0 0 580.509 4.650 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)N3CCSCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=CCCCC2 ZINC000095568153 562766360 /nfs/dbraw/zinc/76/63/60/562766360.db2.gz VUQSRCYWYBMLQP-CJAUYULYSA-N 0 0 525.498 4.925 3 0 KJAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095568169 562766391 /nfs/dbraw/zinc/76/63/91/562766391.db2.gz MKDLECDLLWLLOY-BCHFMIIMSA-N 0 0 518.532 4.971 3 0 KJAFRN CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OC)CC(C)(C)CC=C3N(Cc3cccc4ccccc43)C2=O)CC1 ZINC000095568219 562766392 /nfs/dbraw/zinc/76/63/92/562766392.db2.gz OLXOFUOJUZQJBT-INJOXJOKSA-N 0 0 575.706 4.742 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000095568223 562766434 /nfs/dbraw/zinc/76/64/34/562766434.db2.gz TUJRSFPUDURUJT-OLILMLBXSA-N 0 0 588.488 4.537 3 0 KJAFRN CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095568254 562766440 /nfs/dbraw/zinc/76/64/40/562766440.db2.gz RKYZJKLNTURKTQ-HRNNMHKYSA-N 0 0 516.704 4.585 3 0 KJAFRN Cc1noc(C)c1C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c3ccccc3n(C)c2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095568359 562766599 /nfs/dbraw/zinc/76/65/99/562766599.db2.gz LBGXIXNVJUEMSO-DVHCVUMVSA-N 0 0 558.679 4.580 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095568672 562766825 /nfs/dbraw/zinc/76/68/25/562766825.db2.gz FXPAQRGAUSKWPS-XJFCNFDWSA-N 0 0 532.637 4.520 3 0 KJAFRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@H](C)O3)cc1 ZINC000095568675 562766813 /nfs/dbraw/zinc/76/68/13/562766813.db2.gz MAVYHSKQCPJJQP-SLCANDRHSA-N 0 0 701.908 4.912 3 0 KJAFRN CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(C(=O)N(C)C)c4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095568684 562766855 /nfs/dbraw/zinc/76/68/55/562766855.db2.gz TYBSUWGSJMEJTO-ZCQGCHJCSA-N 0 0 562.736 4.568 3 0 KJAFRN CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(C(=O)N(C)C)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095568685 562766842 /nfs/dbraw/zinc/76/68/42/562766842.db2.gz TYBSUWGSJMEJTO-IIUZHZGHSA-N 0 0 562.736 4.568 3 0 KJAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095568712 562766852 /nfs/dbraw/zinc/76/68/52/562766852.db2.gz DLLBDVQSUYIUNC-GOXGLGGOSA-N 0 0 546.664 4.910 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ncc(-c3cccnc3)cc2C1=O ZINC000095568847 562766925 /nfs/dbraw/zinc/76/69/25/562766925.db2.gz FOBDFEMJOWEWEZ-RHGYRFJNSA-N 0 0 557.573 4.546 3 0 KJAFRN CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095568862 562766930 /nfs/dbraw/zinc/76/69/30/562766930.db2.gz RSKGZFLSRBPJST-YDXRHMNESA-N 0 0 617.832 4.986 3 0 KJAFRN CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc12 ZINC000095568874 562767044 /nfs/dbraw/zinc/76/70/44/562767044.db2.gz AVHXIEFGJJKFHV-UHSQPCAPSA-N 0 0 509.599 4.608 3 0 KJAFRN CCOC(=O)CCCCCC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)NC(C)C)OCCCC[C@H](C)O2 ZINC000095569002 562767062 /nfs/dbraw/zinc/76/70/62/562767062.db2.gz BCXHOZAKCYVTBT-QEETYVBOSA-N 0 0 662.869 4.984 3 0 KJAFRN C(=C/c1ccccc1)\CN1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095569046 562767127 /nfs/dbraw/zinc/76/71/27/562767127.db2.gz MRTOQJQYUYGLGM-MDSLYVRMSA-N 0 0 534.620 4.600 3 0 KJAFRN C(=C/c1ccccc1)\CN1CCN([C@H](c2cc3ccccc3o2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095569047 562767100 /nfs/dbraw/zinc/76/71/00/562767100.db2.gz MRTOQJQYUYGLGM-ZPKXTLNISA-N 0 0 534.620 4.600 3 0 KJAFRN O=C1NC[C@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCC3CCCCC3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000095569131 562767203 /nfs/dbraw/zinc/76/72/03/562767203.db2.gz WNAKHMZGUWFOMS-IOWSJCHKSA-N 0 0 592.825 4.707 3 0 KJAFRN CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(Cc1ccccc1)C(=O)c1cc(F)c(F)cc12 ZINC000095569191 562767261 /nfs/dbraw/zinc/76/72/61/562767261.db2.gz GZEHFXSCCFDRRH-UHSQPCAPSA-N 0 0 523.532 4.745 3 0 KJAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000095569494 562767457 /nfs/dbraw/zinc/76/74/57/562767457.db2.gz IKKDKEBIRMANSH-ZQDYSYBYSA-N 0 0 519.779 4.573 3 0 KJAFRN CC(C)NC(=O)N1Cc2cc(C(=O)NC3CCCC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095569557 562767506 /nfs/dbraw/zinc/76/75/06/562767506.db2.gz PKVSNBQPOILBLC-AREMUKBSSA-N 0 0 513.642 4.840 3 0 KJAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2ncc(-c3cccc(F)c3)cc2C1=O ZINC000095569579 562767529 /nfs/dbraw/zinc/76/75/29/562767529.db2.gz YUSIKKLSTJNKFA-RJYGXOMWSA-N 0 0 542.558 4.550 3 0 KJAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095569696 562767586 /nfs/dbraw/zinc/76/75/86/562767586.db2.gz IJHQXIAZSZIWIX-CJAUYULYSA-N 0 0 511.446 4.502 3 0 KJAFRN CC(C)C[C@H]1CN(CCCC[C@H]2CNC(=O)C(=O)N2CCC2CCCCC2)C(=O)C(=O)N1CCC1CCCCC1 ZINC000095569773 562767637 /nfs/dbraw/zinc/76/76/37/562767637.db2.gz FEZNQYRXPJVDEL-NSOVKSMOSA-N 0 0 558.808 4.510 3 0 KJAFRN CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000095569812 562767719 /nfs/dbraw/zinc/76/77/19/562767719.db2.gz APTXBVIQYOQKIF-HHHXNRCGSA-N 0 0 555.650 4.603 3 0 KJAFRN CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000095569813 562767742 /nfs/dbraw/zinc/76/77/42/562767742.db2.gz APTXBVIQYOQKIF-MHZLTWQESA-N 0 0 555.650 4.603 3 0 KJAFRN O=C1NC[C@H](CCCCN2C[C@H](Cc3ccccc3)N(CCC3CCCCC3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000095569889 562767780 /nfs/dbraw/zinc/76/77/80/562767780.db2.gz WNAKHMZGUWFOMS-CONSDPRKSA-N 0 0 592.825 4.707 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCc1cccc3ccccc31)C2 ZINC000095569922 562767789 /nfs/dbraw/zinc/76/77/89/562767789.db2.gz HHRYOKPGCFJJKH-QNLPTKCRSA-N 0 0 540.616 4.851 3 0 KJAFRN O=C(OCc1cn([C@@H]2CN(C(=O)c3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000095569939 562767806 /nfs/dbraw/zinc/76/78/06/562767806.db2.gz RQWOIBIJRVBMMU-DNVJHFABSA-N 0 0 523.014 4.539 3 0 KJAFRN O=C(OCc1cn([C@H]2CN(C(=O)c3cccs3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000095570048 562767868 /nfs/dbraw/zinc/76/78/68/562767868.db2.gz RQWOIBIJRVBMMU-VJBWXMMDSA-N 0 0 523.014 4.539 3 0 KJAFRN CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCCCn3ccnc3)C[C@H](C(=O)N3CCCCC3)[C@@]12CCc1ccccc1 ZINC000095570066 562767907 /nfs/dbraw/zinc/76/79/07/562767907.db2.gz GSQJUFHZGKWJIP-OWMLEOBPSA-N 0 0 719.931 4.843 3 0 KJAFRN O=c1[nH]c2ccccc2n1C1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095570070 562767919 /nfs/dbraw/zinc/76/79/19/562767919.db2.gz IKRHAVUVWORJMO-NDEPHWFRSA-N 0 0 549.591 4.662 3 0 KJAFRN O=c1[nH]c2ccccc2n1C1CCN([C@H](c2cc3ccccc3o2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000095570071 562767891 /nfs/dbraw/zinc/76/78/91/562767891.db2.gz IKRHAVUVWORJMO-MUUNZHRXSA-N 0 0 549.591 4.662 3 0 KJAFRN CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095570251 562768005 /nfs/dbraw/zinc/76/80/05/562768005.db2.gz RKYZJKLNTURKTQ-RCXJIHSJSA-N 0 0 516.704 4.585 3 0 KJAFRN Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4CC(=O)[C@H]3[C@@H]2c2cccc3ccccc32)cc1 ZINC000095570260 562768074 /nfs/dbraw/zinc/76/80/74/562768074.db2.gz FGMQLSGWNXEDCX-ZZPXSOBZSA-N 0 0 564.663 4.905 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2)c1)C1CCC1 ZINC000095570262 562768054 /nfs/dbraw/zinc/76/80/54/562768054.db2.gz RQWVBYFTVHPQPC-UHFFFAOYSA-N 0 0 552.675 4.983 3 0 KJAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc31)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000095570270 562768089 /nfs/dbraw/zinc/76/80/89/562768089.db2.gz HHAWPFBKKVDGCW-SFRLIIPVSA-N 0 0 583.685 4.773 3 0 KJAFRN O=C(C[C@@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H](c2ccccc2)NC1=O)N(CCO)Cc1ccccc1 ZINC000095570371 562768137 /nfs/dbraw/zinc/76/81/37/562768137.db2.gz HAELHCQHHHCRMH-PRHRJZRRSA-N 0 0 572.677 4.763 3 0 KJAFRN COC(=O)C1(C(=O)OC)C[C@H](c2ccc(OC)cc2)N(Cc2ccccc2OC)[C@@H]1c1ccc(OC)cc1 ZINC000095570377 562768176 /nfs/dbraw/zinc/76/81/76/562768176.db2.gz CTZLFNAUWNMNKY-XNMGPUDCSA-N 0 0 519.594 4.733 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095570399 562768145 /nfs/dbraw/zinc/76/81/45/562768145.db2.gz YHXXYZRIZASOMM-STLWXPNUSA-N 0 0 504.671 4.985 3 0 KJAFRN CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095570406 562768185 /nfs/dbraw/zinc/76/81/85/562768185.db2.gz RKYZJKLNTURKTQ-ZSQFBXSQSA-N 0 0 516.704 4.585 3 0 KJAFRN CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)c2)c1 ZINC000095570506 562768267 /nfs/dbraw/zinc/76/82/67/562768267.db2.gz GEXDMVMRUCVUEB-UHFFFAOYSA-N 0 0 552.675 4.727 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)N3CCSCC3)C(=O)N(Cc3cccc4ccccc43)C1=CCCCC2 ZINC000095570605 562768298 /nfs/dbraw/zinc/76/82/98/562768298.db2.gz MDOJXAWRWOEPFN-BTYSJIOQSA-N 0 0 506.668 4.771 3 0 KJAFRN O=C(Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000095570831 562768536 /nfs/dbraw/zinc/76/85/36/562768536.db2.gz MZDRTSVUXIWSRM-AREMUKBSSA-N 0 0 544.696 4.861 3 0 KJAFRN O=C(Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000095570832 562768537 /nfs/dbraw/zinc/76/85/37/562768537.db2.gz MZDRTSVUXIWSRM-SANMLTNESA-N 0 0 544.696 4.861 3 0 KJAFRN COc1ccc(-n2nnnc2[C@@H](c2cc3ccccc3o2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000095570878 562768579 /nfs/dbraw/zinc/76/85/79/562768579.db2.gz YWZVVGOZWVZUQK-BKUMGXLKSA-N 0 0 506.610 4.838 3 0 KJAFRN COc1ccc(-n2nnnc2[C@H](c2cc3ccccc3o2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000095570879 562768588 /nfs/dbraw/zinc/76/85/88/562768588.db2.gz YWZVVGOZWVZUQK-AELAXVIFSA-N 0 0 506.610 4.838 3 0 KJAFRN Cc1cccc(C)c1N1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095570893 562768631 /nfs/dbraw/zinc/76/86/31/562768631.db2.gz CGERLNXXGDZXLH-PMERELPUSA-N 0 0 533.636 4.510 3 0 KJAFRN Cc1cccc(C)c1N1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095570894 562768612 /nfs/dbraw/zinc/76/86/12/562768612.db2.gz CGERLNXXGDZXLH-SSEXGKCCSA-N 0 0 533.636 4.510 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccco3)C1=CCCCC2 ZINC000095570929 562768625 /nfs/dbraw/zinc/76/86/25/562768625.db2.gz FQRCUXCVUQNVQP-GSRJPJLQSA-N 0 0 508.659 4.968 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCC4)C3)cc2)cc1)C1CCCC1 ZINC000095570935 562768605 /nfs/dbraw/zinc/76/86/05/562768605.db2.gz VBCUBVUTPNZAOE-RUZDIDTESA-N 0 0 544.696 4.860 3 0 KJAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CCC4)C3)cc2)cc1)C1CCCC1 ZINC000095570936 562768624 /nfs/dbraw/zinc/76/86/24/562768624.db2.gz VBCUBVUTPNZAOE-VWLOTQADSA-N 0 0 544.696 4.860 3 0 KJAFRN CCOC1=C2[C@H](c3ccccc3F)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]2[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 ZINC000095570960 562768671 /nfs/dbraw/zinc/76/86/71/562768671.db2.gz OFTWLNDZDHXKPL-TVGCTAMQSA-N 0 0 574.674 4.992 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095571200 562768845 /nfs/dbraw/zinc/76/88/45/562768845.db2.gz YNYGTNCRYGJUBC-GOXGLGGOSA-N 0 0 544.648 4.787 3 0 KJAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc31)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095571201 562768856 /nfs/dbraw/zinc/76/88/56/562768856.db2.gz FJWDRPBVFZGAQD-BTYSJIOQSA-N 0 0 506.668 4.771 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095571391 562769009 /nfs/dbraw/zinc/76/90/09/562769009.db2.gz SIUCNMOPPYBECT-GPNASLBKSA-N 0 0 548.680 4.665 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095571444 562769072 /nfs/dbraw/zinc/76/90/72/562769072.db2.gz LLYYRPBLZFZEER-NGOKVRLYSA-N 0 0 558.553 4.716 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccco3)C1=CCCCC2 ZINC000095571446 562769076 /nfs/dbraw/zinc/76/90/76/562769076.db2.gz WDZRIXYPCHEEGH-BCHFMIIMSA-N 0 0 518.532 4.971 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)c1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000095571491 562769056 /nfs/dbraw/zinc/76/90/56/562769056.db2.gz OBYQGFQPATYGQD-MHZLTWQESA-N 0 0 552.675 4.985 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000095571492 562769077 /nfs/dbraw/zinc/76/90/77/562769077.db2.gz OBYQGFQPATYGQD-HHHXNRCGSA-N 0 0 552.675 4.985 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2)c1)C1CCCCC1 ZINC000095571512 562769046 /nfs/dbraw/zinc/76/90/46/562769046.db2.gz UBADMIPJYLBMBE-RUZDIDTESA-N 0 0 544.696 4.860 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2)c1)C1CCCCC1 ZINC000095571513 562769097 /nfs/dbraw/zinc/76/90/97/562769097.db2.gz UBADMIPJYLBMBE-VWLOTQADSA-N 0 0 544.696 4.860 3 0 KJAFRN CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095571551 562769091 /nfs/dbraw/zinc/76/90/91/562769091.db2.gz XTQYIVRZYYGWLY-HZTDRZKOSA-N 0 0 528.630 4.549 3 0 KJAFRN O=C(N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000095598630 562777462 /nfs/dbraw/zinc/77/74/62/562777462.db2.gz BWEHDLNHAQMHPJ-DQEYMECFSA-N 0 0 573.908 4.733 3 0 KJAFRN O=C(N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000095598676 562777428 /nfs/dbraw/zinc/77/74/28/562777428.db2.gz HWAOSFZZUKBRJT-DQEYMECFSA-N 0 0 573.908 4.733 3 0 KJAFRN Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc21)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000095598939 562777696 /nfs/dbraw/zinc/77/76/96/562777696.db2.gz PNEIOXKPWQRBDC-AREMUKBSSA-N 0 0 513.646 4.860 3 0 KJAFRN Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc21)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000095598940 562777660 /nfs/dbraw/zinc/77/76/60/562777660.db2.gz PNEIOXKPWQRBDC-SANMLTNESA-N 0 0 513.646 4.860 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2)c1)C1CCC1 ZINC000095599022 562777739 /nfs/dbraw/zinc/77/77/39/562777739.db2.gz WDUMYVWYOJNBOT-AREMUKBSSA-N 0 0 552.675 4.983 3 0 KJAFRN CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2)c1)C1CCC1 ZINC000095599023 562777729 /nfs/dbraw/zinc/77/77/29/562777729.db2.gz WDUMYVWYOJNBOT-SANMLTNESA-N 0 0 552.675 4.983 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCC3CCCCC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCCCC2 ZINC000095599033 562777723 /nfs/dbraw/zinc/77/77/23/562777723.db2.gz LJNOHSIONYWURZ-XJFCNFDWSA-N 0 0 540.701 4.799 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095599067 562777788 /nfs/dbraw/zinc/77/77/88/562777788.db2.gz JEFIIWVLHCYMDR-SLGOVJDISA-N 0 0 534.653 4.622 3 0 KJAFRN CC(C)C[C@@H]1CN(CCCC[C@H]2CNC(=O)C(=O)N2CCC2CCCCC2)C(=O)C(=O)N1CCC1CCCCC1 ZINC000095599256 562777910 /nfs/dbraw/zinc/77/79/10/562777910.db2.gz FEZNQYRXPJVDEL-WUFINQPMSA-N 0 0 558.808 4.510 3 0 KJAFRN COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2cccc3ccccc32)C1=O ZINC000095599275 562777912 /nfs/dbraw/zinc/77/79/12/562777912.db2.gz TVUUGAYKZMNICB-WVXBCFDCSA-N 0 0 506.643 4.594 3 0 KJAFRN CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000095599359 562778031 /nfs/dbraw/zinc/77/80/31/562778031.db2.gz VMHSPUVQUVWJLV-GPNASLBKSA-N 0 0 572.743 4.671 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000095599682 562778235 /nfs/dbraw/zinc/77/82/35/562778235.db2.gz WIEJGEMQDJSZMY-AREMUKBSSA-N 0 0 544.696 4.861 3 0 KJAFRN O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)c1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000095599683 562778302 /nfs/dbraw/zinc/77/83/02/562778302.db2.gz WIEJGEMQDJSZMY-SANMLTNESA-N 0 0 544.696 4.861 3 0 KJAFRN Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc21)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095599883 562778454 /nfs/dbraw/zinc/77/84/54/562778454.db2.gz IBWPVPXWMCLTQX-GDLZYMKVSA-N 0 0 533.636 4.871 3 0 KJAFRN Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc21)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095599884 562778436 /nfs/dbraw/zinc/77/84/36/562778436.db2.gz IBWPVPXWMCLTQX-LJAQVGFWSA-N 0 0 533.636 4.871 3 0 KJAFRN COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000095599947 562778497 /nfs/dbraw/zinc/77/84/97/562778497.db2.gz ZWOOGKOJFCFNJF-LTJKKWLXSA-N 0 0 562.707 4.669 3 0 KJAFRN COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095600285 562778765 /nfs/dbraw/zinc/77/87/65/562778765.db2.gz NSGNWJNYRBQKFH-BNCXPCJNSA-N 0 0 551.709 4.502 3 0 KJAFRN COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095600286 562778728 /nfs/dbraw/zinc/77/87/28/562778728.db2.gz NSGNWJNYRBQKFH-URLZHGEESA-N 0 0 551.709 4.502 3 0 KJAFRN CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@H](C)N(C(=O)c2ccccn2)C[C@@H]1C ZINC000095600402 562778879 /nfs/dbraw/zinc/77/88/79/562778879.db2.gz BPZWTLHMBRUMNW-RWYJCYHVSA-N 0 0 581.620 4.650 3 0 KJAFRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl ZINC000095600454 562778916 /nfs/dbraw/zinc/77/89/16/562778916.db2.gz GXJHYLYWEHQYQI-VXKWHMMOSA-N 0 0 524.876 4.751 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccs3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095600489 562778940 /nfs/dbraw/zinc/77/89/40/562778940.db2.gz OBTHYBNDTODVNR-IIMAJNMQSA-N 0 0 554.709 4.726 3 0 KJAFRN COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000095600884 562779338 /nfs/dbraw/zinc/77/93/38/562779338.db2.gz LUDMEYLYEKOCRL-ONLAVICLSA-N 0 0 670.759 4.569 3 0 KJAFRN COCCCN1C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095600934 562779335 /nfs/dbraw/zinc/77/93/35/562779335.db2.gz YVVWJEHXAJDVKT-HHHXNRCGSA-N 0 0 531.697 4.844 3 0 KJAFRN COCCCN1C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095600935 562779323 /nfs/dbraw/zinc/77/93/23/562779323.db2.gz YVVWJEHXAJDVKT-MHZLTWQESA-N 0 0 531.697 4.844 3 0 KJAFRN CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095601675 562779739 /nfs/dbraw/zinc/77/97/39/562779739.db2.gz LADIZLDZOSKLKP-JVGXHWGJSA-N 0 0 542.657 4.857 3 0 KJAFRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)NC(C)C)OCCCC[C@H](C)O3)cc1 ZINC000095602035 562779877 /nfs/dbraw/zinc/77/98/77/562779877.db2.gz UMSVWEVZFWNFFK-SQRAXXTESA-N 0 0 646.851 4.641 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095602317 562779994 /nfs/dbraw/zinc/77/99/94/562779994.db2.gz UWPVCZCHTIDOKN-JPZYQRIQSA-N 0 0 552.668 4.566 3 0 KJAFRN CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)oc1-c1ccccc1 ZINC000095602351 562780054 /nfs/dbraw/zinc/78/00/54/562780054.db2.gz LRMGIXWTVJTHMC-UHFFFAOYSA-N 0 0 503.571 4.718 3 0 KJAFRN CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095602353 562780087 /nfs/dbraw/zinc/78/00/87/562780087.db2.gz ZOEFZYQJLHTQGA-HLADLETHSA-N 0 0 508.659 4.710 3 0 KJAFRN CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000095602683 562780133 /nfs/dbraw/zinc/78/01/33/562780133.db2.gz SJNKUTKONUCHDX-RUZDIDTESA-N 0 0 506.691 4.546 3 0 KJAFRN CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000095602684 562780129 /nfs/dbraw/zinc/78/01/29/562780129.db2.gz SJNKUTKONUCHDX-VWLOTQADSA-N 0 0 506.691 4.546 3 0 KJAFRN CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 ZINC000095602693 562780140 /nfs/dbraw/zinc/78/01/40/562780140.db2.gz PWTVVZRYWDJFME-UMSAYILPSA-N 0 0 556.684 4.853 3 0 KJAFRN CCOC1=C2[C@H](c3cccs3)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095602752 562780190 /nfs/dbraw/zinc/78/01/90/562780190.db2.gz COGKSSKYXPZHCT-CUBKFYFCSA-N 0 0 548.686 4.918 3 0 KJAFRN CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl ZINC000095603748 562780662 /nfs/dbraw/zinc/78/06/62/562780662.db2.gz CKUPHHILFUTXSL-VXKWHMMOSA-N 0 0 524.876 4.751 3 0 KJAFRN O=C(c1ccc2c(c1)OCO2)N1Cc2cc(C(=O)N3CCOCC3)nc(-c3cccc(-c4ccc(F)cc4)c3)c2[C@@H]1CCO ZINC000095604829 562781246 /nfs/dbraw/zinc/78/12/46/562781246.db2.gz JCVYOTDVYFHCTF-NDEPHWFRSA-N 0 0 595.627 4.835 3 0 KJAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCCC(C)C)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095604875 562781257 /nfs/dbraw/zinc/78/12/57/562781257.db2.gz OPMLDBAGOIIRJY-YKGWIAGDSA-N 0 0 528.690 4.511 3 0 KJAFRN Cc1cccc(C)c1-n1nnnc1[C@@H](c1cccc2ccccc21)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000095605138 562781400 /nfs/dbraw/zinc/78/14/00/562781400.db2.gz DIAQSRAGFAJXAQ-SSEXGKCCSA-N 0 0 543.675 4.950 3 0 KJAFRN Cc1cccc(C)c1-n1nnnc1[C@H](c1cccc2ccccc21)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000095605139 562781395 /nfs/dbraw/zinc/78/13/95/562781395.db2.gz DIAQSRAGFAJXAQ-PMERELPUSA-N 0 0 543.675 4.950 3 0 KJAFRN CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCc3ccco3)C[C@H](C(=O)N3CCOCC3)[C@@]12CCC1CCCC1 ZINC000095605186 562781410 /nfs/dbraw/zinc/78/14/10/562781410.db2.gz AUCOPCIQPNVDAA-CVAWOBRUSA-N 0 0 685.866 4.534 3 0 KJAFRN CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000095605393 562781547 /nfs/dbraw/zinc/78/15/47/562781547.db2.gz QECLMZRRNOHOII-RUZDIDTESA-N 0 0 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