smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000622486 551502882 /nfs/dbraw/zinc/50/28/82/551502882.db2.gz JHCUMSBAWWYHCW-UHFFFAOYSA-N 0 0 554.938 4.775 50 0 KJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000000622531 551502876 /nfs/dbraw/zinc/50/28/76/551502876.db2.gz OUNYJVNOBRNROA-UHFFFAOYSA-N 0 0 550.483 4.981 50 0 KJAARN COc1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000000622607 551502944 /nfs/dbraw/zinc/50/29/44/551502944.db2.gz ZYKBCNZRSOKUKU-UHFFFAOYSA-N 0 0 503.418 4.596 50 0 KJAARN Cc1ccc(CN(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000622636 551502959 /nfs/dbraw/zinc/50/29/59/551502959.db2.gz GZCNTJXNLKEACQ-UHFFFAOYSA-N 0 0 509.372 4.865 50 0 KJAARN Cc1ccc(CN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000622639 551502906 /nfs/dbraw/zinc/50/29/06/551502906.db2.gz UJRHRIWFKAQYPA-UHFFFAOYSA-N 0 0 576.944 4.951 50 0 KJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2ccc(I)cc2)o1 ZINC000000623378 551503226 /nfs/dbraw/zinc/50/32/26/551503226.db2.gz JASOFGAABDHOQK-UHFFFAOYSA-N 0 0 521.351 4.912 50 0 KJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Cl)c1 ZINC000000623560 551503190 /nfs/dbraw/zinc/50/31/90/551503190.db2.gz NWUBTLHPIJZOGJ-UHFFFAOYSA-N 0 0 507.974 4.782 50 0 KJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Br)c1 ZINC000000623583 551503188 /nfs/dbraw/zinc/50/31/88/551503188.db2.gz KMIHINREVQCGTN-UHFFFAOYSA-N 0 0 552.425 4.891 50 0 KJAARN O=C1c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000000623959 551503248 /nfs/dbraw/zinc/50/32/48/551503248.db2.gz KSSHKQOWHWZJLV-UHFFFAOYSA-N 0 0 526.542 4.778 50 0 KJAARN Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000000624603 551503422 /nfs/dbraw/zinc/50/34/22/551503422.db2.gz XDHWYHUGDOCJPC-UHFFFAOYSA-N 0 0 591.535 4.938 50 0 KJAARN COc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCN(c5ccccc5)CC4)sc3c2)cc1 ZINC000000624622 551503356 /nfs/dbraw/zinc/50/33/56/551503356.db2.gz GXYIITYVGGEOSL-UHFFFAOYSA-N 0 0 518.664 4.998 50 0 KJAARN Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000000624662 551503380 /nfs/dbraw/zinc/50/33/80/551503380.db2.gz TWIBVBOJCDMABW-UHFFFAOYSA-N 0 0 552.454 4.993 50 0 KJAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2C)c1 ZINC000000624700 551503351 /nfs/dbraw/zinc/50/33/51/551503351.db2.gz RBRQBOBQAKBIMC-UHFFFAOYSA-N 0 0 503.559 4.807 50 0 KJAARN Cn1c(SCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nnc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000000624702 193857590 /nfs/dbraw/zinc/85/75/90/193857590.db2.gz RLBBWLKREUNRIM-UHFFFAOYSA-N 0 0 565.074 4.968 50 0 KJAARN O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000624718 551503341 /nfs/dbraw/zinc/50/33/41/551503341.db2.gz KGIQRXRGLFGTOO-UHFFFAOYSA-N 0 0 508.456 4.538 50 0 KJAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(c2)occ(Oc2ccc(Br)cc2)c3=O)cc1 ZINC000000625847 551503776 /nfs/dbraw/zinc/50/37/76/551503776.db2.gz ICCIDLXOUYCFHO-UHFFFAOYSA-N 0 0 558.406 4.930 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(CCC)CCC)ccc1-2 ZINC000000626074 551503758 /nfs/dbraw/zinc/50/37/58/551503758.db2.gz NBVKNEMUIRQQAG-UHFFFAOYSA-N 0 0 506.690 4.519 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc2-3)cc1 ZINC000000626105 551503710 /nfs/dbraw/zinc/50/37/10/551503710.db2.gz WKQDCTFSMUXYGX-UHFFFAOYSA-N 0 0 536.631 4.877 50 0 KJAARN O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000626760 551503919 /nfs/dbraw/zinc/50/39/19/551503919.db2.gz URTFQXGKDAQQFG-OAHLLOKOSA-N 0 0 528.200 4.977 50 0 KJAARN O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000626762 193857788 /nfs/dbraw/zinc/85/77/88/193857788.db2.gz URTFQXGKDAQQFG-HNNXBMFYSA-N 0 0 528.200 4.977 50 0 KJAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(c2)oc(C)c(-c2ccc4c(c2)OCCCO4)c3=O)cc1 ZINC000000627347 551503995 /nfs/dbraw/zinc/50/39/95/551503995.db2.gz DJIIKXPVOXBKNG-UHFFFAOYSA-N 0 0 549.601 4.512 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c(C)c(Cl)c(=O)oc3c2)cc1 ZINC000000627575 193858228 /nfs/dbraw/zinc/85/82/28/193858228.db2.gz IWOLIVZYVMOSNT-QFIPXVFZSA-N 0 0 511.983 4.558 50 0 KJAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C)cc1 ZINC000000628060 551504225 /nfs/dbraw/zinc/50/42/25/551504225.db2.gz DSORSDGMLGPLRA-AREMUKBSSA-N 0 0 544.629 4.949 50 0 KJAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C)cc1 ZINC000000628062 551504261 /nfs/dbraw/zinc/50/42/61/551504261.db2.gz DSORSDGMLGPLRA-SANMLTNESA-N 0 0 544.629 4.949 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(Br)cc2)cc1 ZINC000000628103 551504289 /nfs/dbraw/zinc/50/42/89/551504289.db2.gz XMYQBERWXPGBSU-UHFFFAOYSA-N 0 0 507.837 4.923 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cccc(Br)c2)cc1 ZINC000000628106 551504214 /nfs/dbraw/zinc/50/42/14/551504214.db2.gz MSZRGABXRNHGQR-UHFFFAOYSA-N 0 0 562.917 4.955 50 0 KJAARN Cc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000628131 193858122 /nfs/dbraw/zinc/85/81/22/193858122.db2.gz IEGXFXNSRCGEKH-UHFFFAOYSA-N 0 0 538.382 4.881 50 0 KJAARN CN(c1cccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O ZINC000000628246 551504247 /nfs/dbraw/zinc/50/42/47/551504247.db2.gz BCBXQJQMUMNCCD-UHFFFAOYSA-N 0 0 576.018 4.589 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C ZINC000000628320 551504281 /nfs/dbraw/zinc/50/42/81/551504281.db2.gz UMUVTPZFNUBUEV-UHFFFAOYSA-N 0 0 500.520 4.624 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(F)cc2)cc1OC ZINC000000628348 551504265 /nfs/dbraw/zinc/50/42/65/551504265.db2.gz UXIGXACWKWSYFD-UHFFFAOYSA-N 0 0 513.374 4.984 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2C)cc1 ZINC000000628379 551504591 /nfs/dbraw/zinc/50/45/91/551504591.db2.gz DQYOHIGCSHYECB-UHFFFAOYSA-N 0 0 512.075 4.809 50 0 KJAARN Cc1sc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n(-c3ccccc3)c(=O)c2c1C ZINC000000628558 551504580 /nfs/dbraw/zinc/50/45/80/551504580.db2.gz HVQCJWVGHPYIOE-UHFFFAOYSA-N 0 0 531.663 4.593 50 0 KJAARN O=C(COc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1)NCc1ccccc1 ZINC000000628728 551504589 /nfs/dbraw/zinc/50/45/89/551504589.db2.gz ZLSDVZQDWMSKKP-LJAQVGFWSA-N 0 0 513.619 4.697 50 0 KJAARN O=C(COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1)NCc1ccccc1 ZINC000000628730 193858430 /nfs/dbraw/zinc/85/84/30/193858430.db2.gz ZLSDVZQDWMSKKP-GDLZYMKVSA-N 0 0 513.619 4.697 50 0 KJAARN Cc1cc(I)ccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000000628807 551504583 /nfs/dbraw/zinc/50/45/83/551504583.db2.gz JMNBKGQCXZFOJT-UHFFFAOYSA-N 0 0 520.392 4.818 50 0 KJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000000628852 551504551 /nfs/dbraw/zinc/50/45/51/551504551.db2.gz MXOREEPIMFXSCT-UHFFFAOYSA-N 0 0 531.609 4.918 50 0 KJAARN COc1ccc(OC)c(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000000628931 193859060 /nfs/dbraw/zinc/85/90/60/193859060.db2.gz BVYKOLPUHLZOPS-UHFFFAOYSA-N 0 0 555.436 4.862 50 0 KJAARN COc1ccc(Br)cc1[C@@H]1SCCN1S(=O)(=O)c1cc(Br)ccc1OC ZINC000000629420 551504762 /nfs/dbraw/zinc/50/47/62/551504762.db2.gz UJQIGQMRRZZNCT-KRWDZBQOSA-N 0 0 523.268 4.665 50 0 KJAARN COc1ccc(Br)cc1[C@H]1SCCN1S(=O)(=O)c1cc(Br)ccc1OC ZINC000000629421 551504785 /nfs/dbraw/zinc/50/47/85/551504785.db2.gz UJQIGQMRRZZNCT-QGZVFWFLSA-N 0 0 523.268 4.665 50 0 KJAARN COc1ccccc1N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccccc3OC)C4=O)cc2C1=O ZINC000000629761 551504740 /nfs/dbraw/zinc/50/47/40/551504740.db2.gz MADDMXXADWRECX-UHFFFAOYSA-N 0 0 532.508 4.536 50 0 KJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(I)cc1)C2=O)c1ccc(Br)cc1 ZINC000000629883 193858930 /nfs/dbraw/zinc/85/89/30/193858930.db2.gz AQWYLGCZXVXDHB-UHFFFAOYSA-N 0 0 590.167 4.894 50 0 KJAARN COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000632242 551505488 /nfs/dbraw/zinc/50/54/88/551505488.db2.gz HDKCZSRFFPFTNQ-UHFFFAOYSA-N 0 0 537.863 4.618 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(I)cc3C(C)C)n2C)cc1 ZINC000000632275 551505468 /nfs/dbraw/zinc/50/54/68/551505468.db2.gz BRSNIKVOHPWHLY-UHFFFAOYSA-N 0 0 522.412 4.950 50 0 KJAARN COC(=O)c1c2cc(-c3ccc(OC)cc3OC)ncn2c(C(=O)c2ccc(Br)cc2)c1C(=O)OC ZINC000000632523 193859881 /nfs/dbraw/zinc/85/98/81/193859881.db2.gz LWKUQKKTOFNHSQ-UHFFFAOYSA-N 0 0 553.365 4.585 50 0 KJAARN O=C(Cc1ccc(F)cc1)Nc1cc(S(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccccc2)c1 ZINC000000632759 193860057 /nfs/dbraw/zinc/86/00/57/193860057.db2.gz ZUEYEBBIXIWVFN-UHFFFAOYSA-N 0 0 509.580 4.673 50 0 KJAARN CCOC(=O)c1c2cc(-c3cc(OC)c(OC)c(OC)c3)ncn2c(C(=O)c2ccccc2)c1C(=O)OCC ZINC000000633086 193860240 /nfs/dbraw/zinc/86/02/40/193860240.db2.gz QWTBFFAZAICWJM-UHFFFAOYSA-N 0 0 532.549 4.612 50 0 KJAARN COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc(OC)c1 ZINC000000633523 551505681 /nfs/dbraw/zinc/50/56/81/551505681.db2.gz UVAFYSUOXVQTEV-UHFFFAOYSA-N 0 0 526.412 4.896 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1OC ZINC000000633538 551505663 /nfs/dbraw/zinc/50/56/63/551505663.db2.gz XDDJFIRXHKTVHS-UHFFFAOYSA-N 0 0 526.412 4.896 50 0 KJAARN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000000634661 551505798 /nfs/dbraw/zinc/50/57/98/551505798.db2.gz MDISBANDEQKDRY-UHFFFAOYSA-N 0 0 504.439 4.538 50 0 KJAARN O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000000637517 551506377 /nfs/dbraw/zinc/50/63/77/551506377.db2.gz PHEHTVNUNLANMS-UHFFFAOYSA-N 0 0 536.456 4.672 50 0 KJAARN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000000637859 551506604 /nfs/dbraw/zinc/50/66/04/551506604.db2.gz UQRLXUPZJCSEEK-UHFFFAOYSA-N 0 0 536.456 4.672 50 0 KJAARN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000000637862 551506637 /nfs/dbraw/zinc/50/66/37/551506637.db2.gz LVNIWYQGDDJVLH-UHFFFAOYSA-N 0 0 507.395 4.594 50 0 KJAARN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000000637971 551506643 /nfs/dbraw/zinc/50/66/43/551506643.db2.gz LTYKRHTWARXHSV-UHFFFAOYSA-N 0 0 507.837 4.610 50 0 KJAARN COc1ccc(OC)c(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000000637997 551506656 /nfs/dbraw/zinc/50/66/56/551506656.db2.gz PCBFJDXOPKOQRD-UHFFFAOYSA-N 0 0 509.411 4.840 50 0 KJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000000638041 193861553 /nfs/dbraw/zinc/86/15/53/193861553.db2.gz QJQLMZWUMKNORM-UHFFFAOYSA-N 0 0 501.583 4.909 50 0 KJAARN COc1cccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4cccc(OC)c4)cc3)cc2)c1 ZINC000000639383 551506856 /nfs/dbraw/zinc/50/68/56/551506856.db2.gz MYPWNLZXASUAPZ-UHFFFAOYSA-N 0 0 518.543 4.975 50 0 KJAARN O=C(Cn1cnc2c(Br)cc(Br)cc2c1=O)c1ccc(Br)cc1 ZINC000000639864 551506815 /nfs/dbraw/zinc/50/68/15/551506815.db2.gz FNIGMIGVQDESOA-UHFFFAOYSA-N 0 0 500.972 4.567 50 0 KJAARN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl ZINC000000641895 193862009 /nfs/dbraw/zinc/86/20/09/193862009.db2.gz MKBNAOWZOOFASP-UHFFFAOYSA-N 0 0 507.837 4.610 50 0 KJAARN O=C(CC(C(=O)N1CCc2ccccc21)C(=O)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000000642487 551507045 /nfs/dbraw/zinc/50/70/45/551507045.db2.gz MBYZPVUOCLSVMA-UHFFFAOYSA-N 0 0 503.396 4.817 50 0 KJAARN CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1 ZINC000000643011 193862418 /nfs/dbraw/zinc/86/24/18/193862418.db2.gz LNVREEXYXVGXSQ-UHFFFAOYSA-N 0 0 502.552 4.560 50 0 KJAARN CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(C(C)=O)cc4)c3=O)c2c1-c1ccc(OC)cc1 ZINC000000643014 193862577 /nfs/dbraw/zinc/86/25/77/193862577.db2.gz FNKVRFNOLQLSKE-UHFFFAOYSA-N 0 0 514.563 4.754 50 0 KJAARN Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000000643254 551507064 /nfs/dbraw/zinc/50/70/64/551507064.db2.gz WRFWNCVDEVBPJK-JDCTXFJWSA-N 0 0 537.620 4.694 50 0 KJAARN Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@]12c1ccccc1N(CCN1C(=O)c3ccccc3C1=O)C2=O ZINC000000643425 551507112 /nfs/dbraw/zinc/50/71/12/551507112.db2.gz REDOBPWQKBOLTB-MGBGTMOVSA-N 0 0 542.595 4.872 50 0 KJAARN Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@@]12c1ccccc1N(CCN1C(=O)c3ccccc3C1=O)C2=O ZINC000000643426 551507144 /nfs/dbraw/zinc/50/71/44/551507144.db2.gz REDOBPWQKBOLTB-XIFFEERXSA-N 0 0 542.595 4.872 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3C)c2C(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000000644040 193862551 /nfs/dbraw/zinc/86/25/51/193862551.db2.gz BTNJHCCPDMGXJJ-UHFFFAOYSA-N 0 0 521.595 4.862 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000000644043 551507361 /nfs/dbraw/zinc/50/73/61/551507361.db2.gz KYCLGQBUPHVUNE-UHFFFAOYSA-N 0 0 523.611 4.713 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000000644053 551507367 /nfs/dbraw/zinc/50/73/67/551507367.db2.gz OYXDHOVPYBCWNW-UHFFFAOYSA-N 0 0 509.584 4.785 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000000644087 551507396 /nfs/dbraw/zinc/50/73/96/551507396.db2.gz ZADDDLDGRAIKNJ-UHFFFAOYSA-N 0 0 527.574 4.924 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000000644100 551507378 /nfs/dbraw/zinc/50/73/78/551507378.db2.gz APADHHLBBOQESZ-UHFFFAOYSA-N 0 0 527.574 4.924 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000000644101 193862391 /nfs/dbraw/zinc/86/23/91/193862391.db2.gz SMDCWZAFMCXTEB-UHFFFAOYSA-N 0 0 527.574 4.924 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000000644103 193862424 /nfs/dbraw/zinc/86/24/24/193862424.db2.gz AKJWQLNPUDIWGC-UHFFFAOYSA-N 0 0 525.558 4.693 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000000644124 551507392 /nfs/dbraw/zinc/50/73/92/551507392.db2.gz 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VGDIGGXLXNOSNM-UHFFFAOYSA-N 0 0 511.554 4.679 50 0 KJAARN COc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000000649899 551511694 /nfs/dbraw/zinc/51/16/94/551511694.db2.gz WOUPAXASFAQOPO-UHFFFAOYSA-N 0 0 505.575 4.961 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc(Cn3cc(Br)cn3)cc1)CCCC2 ZINC000000650029 551511698 /nfs/dbraw/zinc/51/16/98/551511698.db2.gz IBKJBHMDQWHHFI-UHFFFAOYSA-N 0 0 547.500 4.938 50 0 KJAARN Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000000650057 551511862 /nfs/dbraw/zinc/51/18/62/551511862.db2.gz GZCRRQXBGWGGPD-UHFFFAOYSA-N 0 0 555.239 4.734 50 0 KJAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000000650594 551512125 /nfs/dbraw/zinc/51/21/25/551512125.db2.gz DPMIPVDSELLMDR-AUSIDOKSSA-N 0 0 524.503 4.730 50 0 KJAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000000650596 551512225 /nfs/dbraw/zinc/51/22/25/551512225.db2.gz DPMIPVDSELLMDR-CVDCTZTESA-N 0 0 524.503 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526.519 4.602 50 0 KJAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3N2)c1 ZINC000000650830 551512493 /nfs/dbraw/zinc/51/24/93/551512493.db2.gz KAJJNIMIGDYVRZ-NHCUHLMSSA-N 0 0 526.519 4.602 50 0 KJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3N2)c1 ZINC000000650833 551512498 /nfs/dbraw/zinc/51/24/98/551512498.db2.gz KAJJNIMIGDYVRZ-SFTDATJTSA-N 0 0 526.519 4.602 50 0 KJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3N2)c1 ZINC000000650835 193868958 /nfs/dbraw/zinc/86/89/58/193868958.db2.gz KAJJNIMIGDYVRZ-LEWJYISDSA-N 0 0 526.519 4.602 50 0 KJAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c3N2)c1 ZINC000000650845 193868965 /nfs/dbraw/zinc/86/89/65/193868965.db2.gz ZBJCYSAYRUNMIF-XLIONFOSSA-N 0 0 506.481 4.830 50 0 KJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c3N2)c1 ZINC000000650847 551512511 /nfs/dbraw/zinc/51/25/11/551512511.db2.gz ZBJCYSAYRUNMIF-PXNSSMCTSA-N 0 0 506.481 4.830 50 0 KJAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c3N2)c1 ZINC000000650848 193868999 /nfs/dbraw/zinc/86/89/99/193868999.db2.gz ZBJCYSAYRUNMIF-YLJYHZDGSA-N 0 0 506.481 4.830 50 0 KJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c3N2)c1 ZINC000000650850 193868850 /nfs/dbraw/zinc/86/88/50/193868850.db2.gz ZBJCYSAYRUNMIF-FXAWDEMLSA-N 0 0 506.481 4.830 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(-c3nn(C)c(C)c3Cl)n2-c2ccc(C)cc2)cc1OC ZINC000000651229 551512531 /nfs/dbraw/zinc/51/25/31/551512531.db2.gz LTLLIHKHDCQIPK-UHFFFAOYSA-N 0 0 513.023 4.686 50 0 KJAARN Cc1c(CN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cnn1C ZINC000000651359 551512717 /nfs/dbraw/zinc/51/27/17/551512717.db2.gz DFMCJLUIJUBEDA-FQEVSTJZSA-N 0 0 502.427 4.566 50 0 KJAARN Cc1c(CN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cnn1C ZINC000000651360 551512824 /nfs/dbraw/zinc/51/28/24/551512824.db2.gz DFMCJLUIJUBEDA-HXUWFJFHSA-N 0 0 502.427 4.566 50 0 KJAARN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1COc1ccccc1Br ZINC000000651535 551512801 /nfs/dbraw/zinc/51/28/01/551512801.db2.gz CYNKWKQVFXAHFL-UHFFFAOYSA-N 0 0 501.402 4.938 50 0 KJAARN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1COc1ccc(Br)cc1 ZINC000000651552 551512753 /nfs/dbraw/zinc/51/27/53/551512753.db2.gz AFWFHUKWEKDJRV-UHFFFAOYSA-N 0 0 501.402 4.938 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(C(=O)NCc2ccc(F)cc2)cc(C(=O)NCc2ccc(F)cc2)c1 ZINC000000652147 551512962 /nfs/dbraw/zinc/51/29/62/551512962.db2.gz AFHSGCDRUNAMET-UHFFFAOYSA-N 0 0 531.534 4.894 50 0 KJAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c(C)c1C ZINC000000653754 551513129 /nfs/dbraw/zinc/51/31/29/551513129.db2.gz DQAZUCZPQKXIPR-UHFFFAOYSA-N 0 0 520.761 4.856 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000655890 551513953 /nfs/dbraw/zinc/51/39/53/551513953.db2.gz QXSSGUGKAWBWRO-UHFFFAOYSA-N 0 0 528.074 4.510 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000000656144 551513930 /nfs/dbraw/zinc/51/39/30/551513930.db2.gz GFZGDWCNXDDWKH-UHFFFAOYSA-N 0 0 534.465 4.546 50 0 KJAARN Cc1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000656762 551513980 /nfs/dbraw/zinc/51/39/80/551513980.db2.gz WNHPNDNNUUDPIP-UHFFFAOYSA-N 0 0 545.448 4.625 50 0 KJAARN COc1ccccc1O[C@H](C)c1nnc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1-c1ccccc1 ZINC000000657631 551514346 /nfs/dbraw/zinc/51/43/46/551514346.db2.gz TXNUDZMPVUJXKJ-OAQYLSRUSA-N 0 0 570.675 4.945 50 0 KJAARN COc1ccccc1O[C@@H](C)c1nnc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1-c1ccccc1 ZINC000000657634 551514349 /nfs/dbraw/zinc/51/43/49/551514349.db2.gz TXNUDZMPVUJXKJ-NRFANRHFSA-N 0 0 570.675 4.945 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1Br ZINC000000658917 551514615 /nfs/dbraw/zinc/51/46/15/551514615.db2.gz KNWWEQPTBHIDSG-UHFFFAOYSA-N 0 0 531.837 4.713 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cn2cc(Br)cn2)o1 ZINC000000659021 551514671 /nfs/dbraw/zinc/51/46/71/551514671.db2.gz FAWUTPRDGRDZFF-UHFFFAOYSA-N 0 0 535.807 4.993 50 0 KJAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000000659315 551515202 /nfs/dbraw/zinc/51/52/02/551515202.db2.gz RLKJUYOHTSYKNU-UHFFFAOYSA-N 0 0 502.570 4.747 50 0 KJAARN Cc1c(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000000659345 551515205 /nfs/dbraw/zinc/51/52/05/551515205.db2.gz NHJIFEGGVHMYDK-UHFFFAOYSA-N 0 0 506.488 4.774 50 0 KJAARN CCCS(=O)(=O)c1c(C(=O)c2ccc(OC)cc2)n2ccc3ccccc3c2c1S(=O)(=O)CCC ZINC000000659566 551515361 /nfs/dbraw/zinc/51/53/61/551515361.db2.gz PWVWXYIYPIAEFM-UHFFFAOYSA-N 0 0 513.637 4.700 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)C2CCCCC2)cc1 ZINC000000659668 551515403 /nfs/dbraw/zinc/51/54/03/551515403.db2.gz WZKRAXNEOYYMBE-UHFFFAOYSA-N 0 0 512.413 4.562 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000000659787 551515306 /nfs/dbraw/zinc/51/53/06/551515306.db2.gz GVEUCLKMXKEANI-UHFFFAOYSA-N 0 0 535.563 4.697 50 0 KJAARN Cc1cccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000000659810 551515323 /nfs/dbraw/zinc/51/53/23/551515323.db2.gz RXHJSGIMVZAJSL-UHFFFAOYSA-N 0 0 520.392 4.742 50 0 KJAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O ZINC000000659865 551515695 /nfs/dbraw/zinc/51/56/95/551515695.db2.gz NIPLKJKTWUCFPI-UHFFFAOYSA-N 0 0 592.910 4.861 50 0 KJAARN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000660527 551516028 /nfs/dbraw/zinc/51/60/28/551516028.db2.gz XKNPDZVNGLZCNC-UHFFFAOYSA-N 0 0 548.948 4.732 50 0 KJAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000000660599 551516023 /nfs/dbraw/zinc/51/60/23/551516023.db2.gz DEJYDRRYRNWIJG-UHFFFAOYSA-N 0 0 562.113 4.733 50 0 KJAARN COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc(OC)c1OC ZINC000000661269 551516171 /nfs/dbraw/zinc/51/61/71/551516171.db2.gz FYMLMVPCBVONGH-UHFFFAOYSA-N 0 0 500.901 4.876 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2cccc(C)c2C)cc1 ZINC000000661273 551516212 /nfs/dbraw/zinc/51/62/12/551516212.db2.gz LSFOSMPLEHWLCN-UHFFFAOYSA-N 0 0 555.722 4.620 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000000661280 551516216 /nfs/dbraw/zinc/51/62/16/551516216.db2.gz XZVHLPLCFMXBCH-UHFFFAOYSA-N 0 0 536.650 4.506 50 0 KJAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OC(C)C ZINC000000661544 551516244 /nfs/dbraw/zinc/51/62/44/551516244.db2.gz LNKZTICXVPXQRY-VCHYOVAHSA-N 0 0 524.330 4.709 50 0 KJAARN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC(C)C ZINC000000661969 551516222 /nfs/dbraw/zinc/51/62/22/551516222.db2.gz XVHZVLSXOBNOKG-LZYBPNLTSA-N 0 0 512.731 4.838 50 0 KJAARN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC ZINC000000662561 551516158 /nfs/dbraw/zinc/51/61/58/551516158.db2.gz MZSHHHYIKHXHLE-CXUHLZMHSA-N 0 0 512.731 4.839 50 0 KJAARN CC(=O)N1CCN(c2nc(OC(C(F)(F)F)C(F)(F)F)nc(N(c3ccccc3)c3ccccc3)n2)CC1 ZINC000000663013 551516545 /nfs/dbraw/zinc/51/65/45/551516545.db2.gz PSBKUVDEZHVAOC-UHFFFAOYSA-N 0 0 540.468 4.882 50 0 KJAARN O=C(Nc1ccc(I)cc1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000000663245 551516516 /nfs/dbraw/zinc/51/65/16/551516516.db2.gz ONRCFQPFFYZBCD-QFIPXVFZSA-N 0 0 512.347 4.993 50 0 KJAARN O=C(Nc1ccc(I)cc1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000000663246 551516550 /nfs/dbraw/zinc/51/65/50/551516550.db2.gz ONRCFQPFFYZBCD-JOCHJYFZSA-N 0 0 512.347 4.993 50 0 KJAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)c(Br)c1O ZINC000000663514 551516523 /nfs/dbraw/zinc/51/65/23/551516523.db2.gz FLYNQEFGXQNVIY-NTUHNPAUSA-N 0 0 514.145 4.548 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000000664506 551516710 /nfs/dbraw/zinc/51/67/10/551516710.db2.gz KEYDIIHHKBLSEE-UHFFFAOYSA-N 0 0 501.413 4.912 50 0 KJAARN CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12 ZINC000000664528 551516626 /nfs/dbraw/zinc/51/66/26/551516626.db2.gz RVCATFXYLMEGRA-YDZHTSKRSA-N 0 0 504.999 4.809 50 0 KJAARN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000664725 551516686 /nfs/dbraw/zinc/51/66/86/551516686.db2.gz FAHAYTRUDJFJMI-UHFFFAOYSA-N 0 0 512.937 4.897 50 0 KJAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)c1ccccc1 ZINC000000665282 551516619 /nfs/dbraw/zinc/51/66/19/551516619.db2.gz ZCOGANCGHVNRGY-HNNXBMFYSA-N 0 0 507.381 4.645 50 0 KJAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)c1ccccc1 ZINC000000665284 551516950 /nfs/dbraw/zinc/51/69/50/551516950.db2.gz ZCOGANCGHVNRGY-OAHLLOKOSA-N 0 0 507.381 4.645 50 0 KJAARN CC(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)cccc21 ZINC000000667976 551517975 /nfs/dbraw/zinc/51/79/75/551517975.db2.gz OPUKMDKYXBGUEX-AREMUKBSSA-N 0 0 501.608 4.636 50 0 KJAARN CC(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)cccc21 ZINC000000667978 551517950 /nfs/dbraw/zinc/51/79/50/551517950.db2.gz OPUKMDKYXBGUEX-SANMLTNESA-N 0 0 501.608 4.636 50 0 KJAARN CCOc1ccccc1C(=O)NN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000000668857 551518500 /nfs/dbraw/zinc/51/85/00/551518500.db2.gz WIFXEGRAPKITLU-QFIPXVFZSA-N 0 0 524.371 4.546 50 0 KJAARN CCOc1ccccc1C(=O)NN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc(C(=O)OC)cc1 ZINC000000668858 551518482 /nfs/dbraw/zinc/51/84/82/551518482.db2.gz WIFXEGRAPKITLU-JOCHJYFZSA-N 0 0 524.371 4.546 50 0 KJAARN CCOc1ccccc1C(=O)NN1C(=O)c2cc(I)ccc2N[C@@H]1c1cccs1 ZINC000000668927 551518503 /nfs/dbraw/zinc/51/85/03/551518503.db2.gz OZRCZCLDKXFRKZ-IBGZPJMESA-N 0 0 519.364 4.663 50 0 KJAARN CCOc1ccccc1C(=O)NN1C(=O)c2cc(I)ccc2N[C@H]1c1cccs1 ZINC000000668929 551518453 /nfs/dbraw/zinc/51/84/53/551518453.db2.gz OZRCZCLDKXFRKZ-LJQANCHMSA-N 0 0 519.364 4.663 50 0 KJAARN COC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCN(c4ccccc4)CC3)cc2s1 ZINC000000669393 551518632 /nfs/dbraw/zinc/51/86/32/551518632.db2.gz KWJGJEVUNKTEFP-UHFFFAOYSA-N 0 0 546.674 4.776 50 0 KJAARN COc1cccc(COc2ccccc2[C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000000669398 551518644 /nfs/dbraw/zinc/51/86/44/551518644.db2.gz DNOBXXVFYIBXNC-NDEPHWFRSA-N 0 0 523.545 4.914 50 0 KJAARN COc1cccc(COc2ccccc2[C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000000669399 551518567 /nfs/dbraw/zinc/51/85/67/551518567.db2.gz DNOBXXVFYIBXNC-MUUNZHRXSA-N 0 0 523.545 4.914 50 0 KJAARN CCOc1cc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc(I)c1O ZINC000000669424 551518618 /nfs/dbraw/zinc/51/86/18/551518618.db2.gz YPFSTRBMPIBXRR-SFHVURJKSA-N 0 0 522.368 4.863 50 0 KJAARN CCOc1cc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc(I)c1O ZINC000000669426 551518562 /nfs/dbraw/zinc/51/85/62/551518562.db2.gz YPFSTRBMPIBXRR-GOSISDBHSA-N 0 0 522.368 4.863 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(=O)c4ccccc4C)cc3)n2C)cc1 ZINC000000669541 551518609 /nfs/dbraw/zinc/51/86/09/551518609.db2.gz VQKKUXFWSJPTJU-UHFFFAOYSA-N 0 0 515.595 4.560 50 0 KJAARN COC(=O)c1sc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c(C(=O)OC)c1C ZINC000000670852 551518959 /nfs/dbraw/zinc/51/89/59/551518959.db2.gz PDYQVOOFGNUOHL-UHFFFAOYSA-N 0 0 504.520 4.826 50 0 KJAARN COC(=O)c1ccc([C@H]2Nc3ccc(I)cc3C(=O)N2c2cccc(OC)c2)cc1 ZINC000000670853 551518957 /nfs/dbraw/zinc/51/89/57/551518957.db2.gz QUBMNDFOWMIWDD-NRFANRHFSA-N 0 0 514.319 4.858 50 0 KJAARN COC(=O)c1ccc([C@@H]2Nc3ccc(I)cc3C(=O)N2c2cccc(OC)c2)cc1 ZINC000000670855 551518975 /nfs/dbraw/zinc/51/89/75/551518975.db2.gz QUBMNDFOWMIWDD-OAQYLSRUSA-N 0 0 514.319 4.858 50 0 KJAARN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000671156 551519269 /nfs/dbraw/zinc/51/92/69/551519269.db2.gz USUZZQUIMCCBQI-UHFFFAOYSA-N 0 0 503.418 4.794 50 0 KJAARN O=C(NN1C(=O)c2cc(I)ccc2N[C@@H]1c1cccc(Cl)c1Cl)c1ccncc1 ZINC000000671195 551519194 /nfs/dbraw/zinc/51/91/94/551519194.db2.gz BLWVAYAWEOFHIA-SFHVURJKSA-N 0 0 539.160 4.905 50 0 KJAARN O=C(NN1C(=O)c2cc(I)ccc2N[C@H]1c1cccc(Cl)c1Cl)c1ccncc1 ZINC000000671198 551519216 /nfs/dbraw/zinc/51/92/16/551519216.db2.gz BLWVAYAWEOFHIA-GOSISDBHSA-N 0 0 539.160 4.905 50 0 KJAARN O=C(NN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000000671600 551519503 /nfs/dbraw/zinc/51/95/03/551519503.db2.gz NTOCZAKDMJHDPN-FQEVSTJZSA-N 0 0 500.736 4.743 50 0 KJAARN O=C(NN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000000671602 551519479 /nfs/dbraw/zinc/51/94/79/551519479.db2.gz NTOCZAKDMJHDPN-HXUWFJFHSA-N 0 0 500.736 4.743 50 0 KJAARN Cc1c(CNC(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Cl)cnn1C ZINC000000672175 551519475 /nfs/dbraw/zinc/51/94/75/551519475.db2.gz DYIZBIVMHIZBFT-UHFFFAOYSA-N 0 0 527.732 4.803 50 0 KJAARN Cc1nn(C)cc1CNC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000000672513 551519491 /nfs/dbraw/zinc/51/94/91/551519491.db2.gz JLAHPFZMTNSUEM-LSDHHAIUSA-N 0 0 531.764 4.931 50 0 KJAARN Cc1nn(C)cc1CNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000000672515 551519470 /nfs/dbraw/zinc/51/94/70/551519470.db2.gz JLAHPFZMTNSUEM-HUUCEWRRSA-N 0 0 531.764 4.931 50 0 KJAARN Cc1nn(C)cc1CNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000000672520 551519431 /nfs/dbraw/zinc/51/94/31/551519431.db2.gz JLAHPFZMTNSUEM-CABCVRRESA-N 0 0 531.764 4.931 50 0 KJAARN O=C1C[C@@H](Sc2ccc(F)cc2)C(=O)N1c1ccc(N2C(=O)C[C@@H](Sc3ccc(F)cc3)C2=O)cc1 ZINC000000673211 551520095 /nfs/dbraw/zinc/52/00/95/551520095.db2.gz FHXIJASABBKONU-FGZHOGPDSA-N 0 0 524.570 4.813 50 0 KJAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(OC)c(Br)c2)cc1Br ZINC000000673660 551520161 /nfs/dbraw/zinc/52/01/61/551520161.db2.gz BNZAIEBXPAQRIX-HDICACEKSA-N 0 0 540.252 4.700 50 0 KJAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(OC)c(Br)c2)cc1Br ZINC000000673661 551520139 /nfs/dbraw/zinc/52/01/39/551520139.db2.gz BNZAIEBXPAQRIX-QZTJIDSGSA-N 0 0 540.252 4.700 50 0 KJAARN COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2ccc(OC)c(Br)c2)cc1Br ZINC000000673662 551520155 /nfs/dbraw/zinc/52/01/55/551520155.db2.gz BNZAIEBXPAQRIX-ROUUACIJSA-N 0 0 540.252 4.700 50 0 KJAARN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(Br)c1 ZINC000000673710 551520088 /nfs/dbraw/zinc/52/00/88/551520088.db2.gz MNQACAPAZLSLBQ-UHFFFAOYSA-N 0 0 501.402 4.526 50 0 KJAARN Cc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)COc2ccc(C)cc2Br)c(Br)c1 ZINC000000673732 551520136 /nfs/dbraw/zinc/52/01/36/551520136.db2.gz DKNGARKVASESFD-BGYRXZFFSA-N 0 0 568.306 4.830 50 0 KJAARN Cc1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)COc2ccc(C)cc2Br)c(Br)c1 ZINC000000673734 551520122 /nfs/dbraw/zinc/52/01/22/551520122.db2.gz DKNGARKVASESFD-WOJBJXKFSA-N 0 0 568.306 4.830 50 0 KJAARN Cc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(C)cc2Br)c(Br)c1 ZINC000000673737 551520076 /nfs/dbraw/zinc/52/00/76/551520076.db2.gz DKNGARKVASESFD-PMACEKPBSA-N 0 0 568.306 4.830 50 0 KJAARN Cc1nn(C)cc1CNC(=O)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000000674062 551520716 /nfs/dbraw/zinc/52/07/16/551520716.db2.gz NSOUBWCPOYTFEG-UHFFFAOYSA-N 0 0 527.732 4.803 50 0 KJAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000674081 551520714 /nfs/dbraw/zinc/52/07/14/551520714.db2.gz KRYDQXHGWQWTPA-UHFFFAOYSA-N 0 0 521.341 4.800 50 0 KJAARN O=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000674084 551520684 /nfs/dbraw/zinc/52/06/84/551520684.db2.gz BFCZHHIXRQOTQV-UHFFFAOYSA-N 0 0 566.271 4.981 50 0 KJAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000000674194 551520866 /nfs/dbraw/zinc/52/08/66/551520866.db2.gz LWNHUSFHLDVUPT-LSDHHAIUSA-N 0 0 531.764 4.931 50 0 KJAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000000674195 551520922 /nfs/dbraw/zinc/52/09/22/551520922.db2.gz LWNHUSFHLDVUPT-HUUCEWRRSA-N 0 0 531.764 4.931 50 0 KJAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)cnn1C ZINC000000674196 551520859 /nfs/dbraw/zinc/52/08/59/551520859.db2.gz LWNHUSFHLDVUPT-GJZGRUSLSA-N 0 0 531.764 4.931 50 0 KJAARN Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)cnn1C ZINC000000674198 551520847 /nfs/dbraw/zinc/52/08/47/551520847.db2.gz LWNHUSFHLDVUPT-CABCVRRESA-N 0 0 531.764 4.931 50 0 KJAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)cc1 ZINC000000674237 551520881 /nfs/dbraw/zinc/52/08/81/551520881.db2.gz NTNWTJYBZPJJNA-UHFFFAOYSA-N 0 0 522.364 4.743 50 0 KJAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3Br)cc2)cc1 ZINC000000674274 551521199 /nfs/dbraw/zinc/52/11/99/551521199.db2.gz UBTAOGCKHXWXKM-UHFFFAOYSA-N 0 0 519.417 4.975 50 0 KJAARN Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000000674416 551521214 /nfs/dbraw/zinc/52/12/14/551521214.db2.gz GIXFWACNCZSWPP-UHFFFAOYSA-N 0 0 560.308 4.958 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2c(C)cc(Br)cc2Br)cc1 ZINC000000674420 551521228 /nfs/dbraw/zinc/52/12/28/551521228.db2.gz HDZBVRXNARCZOF-UHFFFAOYSA-N 0 0 534.270 4.568 50 0 KJAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)ccc1Br ZINC000000674580 551521331 /nfs/dbraw/zinc/52/13/31/551521331.db2.gz ACIUOWRJEHNCJO-UHFFFAOYSA-N 0 0 501.402 4.526 50 0 KJAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)c(C)c3)cc2)cc1 ZINC000000674598 551521345 /nfs/dbraw/zinc/52/13/45/551521345.db2.gz VLWZOZCUOQNEIW-UHFFFAOYSA-N 0 0 519.417 4.975 50 0 KJAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3C)cc2)cc1 ZINC000000674940 551521595 /nfs/dbraw/zinc/52/15/95/551521595.db2.gz KFHMBPSFZPCZAA-UHFFFAOYSA-N 0 0 519.417 4.975 50 0 KJAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(OC)c(OC)c2)C[C@@H]3C(F)(F)F)cc1OC ZINC000000675278 551522100 /nfs/dbraw/zinc/52/21/00/551522100.db2.gz RMFCVLSGSOGMRB-IIBYNOLFSA-N 0 0 506.481 4.830 50 0 KJAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(OC)c(OC)c2)C[C@@H]3C(F)(F)F)cc1OC ZINC000000675279 551522101 /nfs/dbraw/zinc/52/21/01/551522101.db2.gz RMFCVLSGSOGMRB-HRAATJIYSA-N 0 0 506.481 4.830 50 0 KJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000675597 551522085 /nfs/dbraw/zinc/52/20/85/551522085.db2.gz BOECGDRFUZTNCH-UHFFFAOYSA-N 0 0 508.452 4.941 50 0 KJAARN O=C(N/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000000675985 551522113 /nfs/dbraw/zinc/52/21/13/551522113.db2.gz GLACUBCSQOVZIH-LGUFXXKBSA-N 0 0 557.448 4.932 50 0 KJAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)o3)cc2)c1 ZINC000000676411 551522092 /nfs/dbraw/zinc/52/20/92/551522092.db2.gz JCZWJROKBALQHR-UHFFFAOYSA-N 0 0 508.419 4.587 50 0 aggregator KJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Cl)cc2)cc1 ZINC000000676580 551522081 /nfs/dbraw/zinc/52/20/81/551522081.db2.gz VVJRDXBESKCUFT-UHFFFAOYSA-N 0 0 525.808 4.929 50 0 KJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000000676583 551522077 /nfs/dbraw/zinc/52/20/77/551522077.db2.gz ONEMOUXXHFBBLH-UHFFFAOYSA-N 0 0 523.836 4.941 50 0 KJAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000676585 551522080 /nfs/dbraw/zinc/52/20/80/551522080.db2.gz FFWYLGOHHNTYGL-UHFFFAOYSA-N 0 0 501.830 4.731 50 0 KJAARN O=C(COc1ccc(Br)cc1Cl)N1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000000676590 551522110 /nfs/dbraw/zinc/52/21/10/551522110.db2.gz CXMTXESKKFKXJC-UHFFFAOYSA-N 0 0 581.088 4.647 50 0 KJAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Cl)cc2)CC1 ZINC000000676612 551522087 /nfs/dbraw/zinc/52/20/87/551522087.db2.gz PCYSALHDYXEFIA-UHFFFAOYSA-N 0 0 501.830 4.541 50 0 KJAARN O=C(COc1ccc(Br)cc1Cl)NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000676726 551522083 /nfs/dbraw/zinc/52/20/83/551522083.db2.gz YUQFQGITYIPIAN-UHFFFAOYSA-N 0 0 580.913 4.746 50 0 KJAARN O=C(COC(=O)c1cccc(N2C(=O)c3ccc(C(=O)Oc4ccccc4)cc3C2=O)c1)c1ccccc1 ZINC000000677185 551522216 /nfs/dbraw/zinc/52/22/16/551522216.db2.gz FFRLVCXZTVNAEG-UHFFFAOYSA-N 0 0 505.482 4.746 50 0 KJAARN COc1cc2c(cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)CCCC2 ZINC000000677674 551522208 /nfs/dbraw/zinc/52/22/08/551522208.db2.gz UJROUTSHXRLABF-XMMPIXPASA-N 0 0 590.483 4.707 50 0 KJAARN COc1cc2c(cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)CCCC2 ZINC000000677676 551522124 /nfs/dbraw/zinc/52/21/24/551522124.db2.gz UJROUTSHXRLABF-DEOSSOPVSA-N 0 0 590.483 4.707 50 0 KJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(OCC)cc3)CCCC2=O)cc1 ZINC000000677867 551522196 /nfs/dbraw/zinc/52/21/96/551522196.db2.gz AUQZLUVFYZAWAH-UHFFFAOYSA-N 0 0 568.673 4.996 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)c2ccc(C)cc2)cc1OC ZINC000000678222 551522168 /nfs/dbraw/zinc/52/21/68/551522168.db2.gz BPWFTAYTAXKQCS-UHFFFAOYSA-N 0 0 508.518 4.865 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000678236 551522227 /nfs/dbraw/zinc/52/22/27/551522227.db2.gz UINRIIFRUPNGGM-UHFFFAOYSA-N 0 0 504.992 4.508 50 0 KJAARN CCOc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000000678243 551522638 /nfs/dbraw/zinc/52/26/38/551522638.db2.gz XJTKHSKYNZFCHN-UHFFFAOYSA-N 0 0 505.061 4.972 50 0 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CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(CN(CCc3ccc(OC)c(OC)c3)Cc3ccc(F)cc3)n2)C1 ZINC000000700634 551529133 /nfs/dbraw/zinc/52/91/33/551529133.db2.gz MSYSZIGXTARUAC-HSZRJFAPSA-N 0 0 569.699 4.960 50 0 KJAARN O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1)N1CCc2ccccc2C1 ZINC000000702374 551529599 /nfs/dbraw/zinc/52/95/99/551529599.db2.gz YEVIXWCISHCVEF-UHFFFAOYSA-N 0 0 544.698 4.848 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 ZINC000000702455 551529562 /nfs/dbraw/zinc/52/95/62/551529562.db2.gz KGMGNOQVJVGQLM-KRWDZBQOSA-N 0 0 509.242 4.929 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 ZINC000000702456 551529618 /nfs/dbraw/zinc/52/96/18/551529618.db2.gz KGMGNOQVJVGQLM-QGZVFWFLSA-N 0 0 509.242 4.929 50 0 KJAARN O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000704956 551531363 /nfs/dbraw/zinc/53/13/63/551531363.db2.gz UWCGODNRATWJLM-UHFFFAOYSA-N 0 0 569.433 4.644 50 0 KJAARN CCCS(=O)(=O)c1c(C(=O)c2ccc(Br)cc2)n2cc(C)cc(C)c2c1S(=O)(=O)CCC ZINC000000706027 551531333 /nfs/dbraw/zinc/53/13/33/551531333.db2.gz BFNZHMXGFNHJOB-UHFFFAOYSA-N 0 0 540.501 4.917 50 0 KJAARN Cc1ccc(N2C(=O)c3ccc(-c4nc5ccc(I)cc5c(=O)o4)cc3C2=O)cc1C ZINC000000706247 551531339 /nfs/dbraw/zinc/53/13/39/551531339.db2.gz UJRQVUMHVVLAFG-UHFFFAOYSA-N 0 0 522.298 4.877 50 0 KJAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)NC[C@H]1CCCO1 ZINC000000707434 551531693 /nfs/dbraw/zinc/53/16/93/551531693.db2.gz BANPGPBKZNQJJY-CQSZACIVSA-N 0 0 506.447 4.698 50 0 KJAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)NC[C@@H]1CCCO1 ZINC000000707435 551531678 /nfs/dbraw/zinc/53/16/78/551531678.db2.gz BANPGPBKZNQJJY-AWEZNQCLSA-N 0 0 506.447 4.698 50 0 KJAARN CN(C[C@@H](COc1ccccc1)OC(=O)c1cccc2ccccc21)C1=NS(=O)(=O)c2ccccc21 ZINC000000707471 551531727 /nfs/dbraw/zinc/53/17/27/551531727.db2.gz CMQVNLDZJDGWTE-QFIPXVFZSA-N 0 0 500.576 4.525 50 0 KJAARN CN(C[C@H](COc1ccccc1)OC(=O)c1cccc2ccccc21)C1=NS(=O)(=O)c2ccccc21 ZINC000000707472 551531729 /nfs/dbraw/zinc/53/17/29/551531729.db2.gz CMQVNLDZJDGWTE-JOCHJYFZSA-N 0 0 500.576 4.525 50 0 KJAARN CCOC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 ZINC000000707650 551531841 /nfs/dbraw/zinc/53/18/41/551531841.db2.gz HWJSXQRKMJTQQU-LFAGZIFBSA-N 0 0 502.405 4.796 50 0 KJAARN COc1ccc(C(=O)O[C@H](COc2cccc3ccccc32)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000000707714 551531872 /nfs/dbraw/zinc/53/18/72/551531872.db2.gz RTJCUHXXQHVHOC-QHCPKHFHSA-N 0 0 530.602 4.534 50 0 KJAARN COc1ccc(C(=O)O[C@@H](COc2cccc3ccccc32)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000000707715 551531813 /nfs/dbraw/zinc/53/18/13/551531813.db2.gz RTJCUHXXQHVHOC-HSZRJFAPSA-N 0 0 530.602 4.534 50 0 KJAARN Cc1c(NC(=O)CSc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)c(=O)n(-c2ccccc2)n1C ZINC000000708726 551532397 /nfs/dbraw/zinc/53/23/97/551532397.db2.gz XHPCBNTZWHRVDF-UHFFFAOYSA-N 0 0 549.660 4.751 50 0 KJAARN O=C1CS[C@]2(c3ccccc3N(CN3CCN(Cc4ccccc4)CC3)C2=O)N1c1ccc(Br)cc1 ZINC000000708866 551532713 /nfs/dbraw/zinc/53/27/13/551532713.db2.gz OXBSQKKJLYPWFW-NDEPHWFRSA-N 0 0 563.521 4.504 50 0 KJAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)N1CCc2ccccc21 ZINC000000709339 551532677 /nfs/dbraw/zinc/53/26/77/551532677.db2.gz DXYQKTGSDCBKLB-UHFFFAOYSA-N 0 0 558.685 4.702 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccs3)C2=S)cc1 ZINC000000710604 551533031 /nfs/dbraw/zinc/53/30/31/551533031.db2.gz CKBISJGXISIKAL-OAQYLSRUSA-N 0 0 511.600 4.595 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccs3)C2=S)cc1 ZINC000000710605 551533114 /nfs/dbraw/zinc/53/31/14/551533114.db2.gz CKBISJGXISIKAL-NRFANRHFSA-N 0 0 511.600 4.595 50 0 KJAARN Cn1c2nc3n(cc(-c4ccc(Br)cc4)n3-c3ccc(Oc4ccccc4)cc3)c2c(=O)n(C)c1=O ZINC000000710687 551533081 /nfs/dbraw/zinc/53/30/81/551533081.db2.gz OMVQFKQHETYQJS-UHFFFAOYSA-N 0 0 542.393 4.897 50 0 biogenic KJAARN COc1ccc(C(=O)c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)c(F)c2)cc1Br ZINC000000710699 551533071 /nfs/dbraw/zinc/53/30/71/551533071.db2.gz ZUHIVCNFRUGEFQ-UHFFFAOYSA-N 0 0 515.354 4.929 50 0 KJAARN CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(C(C)=O)c4)C5=O)cc3C2=O)c1 ZINC000000710935 551533102 /nfs/dbraw/zinc/53/31/02/551533102.db2.gz WHYAEFHSCZAAMA-UHFFFAOYSA-N 0 0 556.530 4.924 50 0 KJAARN O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000710980 551533377 /nfs/dbraw/zinc/53/33/77/551533377.db2.gz YOPKMTSPZIUSQE-UHFFFAOYSA-N 0 0 502.228 4.639 50 0 KJAARN O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000000710981 551533415 /nfs/dbraw/zinc/53/34/15/551533415.db2.gz SWKAVEUTKGKHSR-UHFFFAOYSA-N 0 0 524.234 4.942 50 0 aggregator,in-vitro KJAARN Cc1c(NC(=O)CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000711179 551533389 /nfs/dbraw/zinc/53/33/89/551533389.db2.gz IQNQODQZGHDRHF-UHFFFAOYSA-N 0 0 514.586 4.602 50 0 KJAARN O=C(CSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1)NC[C@H]1CCCO1 ZINC000000711534 551533392 /nfs/dbraw/zinc/53/33/92/551533392.db2.gz JYHCYPBDADINMB-MRXNPFEDSA-N 0 0 506.447 4.698 50 0 KJAARN O=C(CSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1)NC[C@@H]1CCCO1 ZINC000000711535 551533359 /nfs/dbraw/zinc/53/33/59/551533359.db2.gz JYHCYPBDADINMB-INIZCTEOSA-N 0 0 506.447 4.698 50 0 KJAARN Cc1ccc(OC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)c(-n2nc3ccccc3n2)c1 ZINC000000712457 551533589 /nfs/dbraw/zinc/53/35/89/551533589.db2.gz LGXNRUDJFJMOFM-UHFFFAOYSA-N 0 0 555.454 4.885 50 0 KJAARN COc1ccc(CCNC(=O)Cc2cc(OCc3ccccc3)c(OC)cc2Br)cc1OC ZINC000000712524 551533665 /nfs/dbraw/zinc/53/36/65/551533665.db2.gz NQNKXAXMFPWSPP-UHFFFAOYSA-N 0 0 514.416 4.955 50 0 KJAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000000712657 551533670 /nfs/dbraw/zinc/53/36/70/551533670.db2.gz UOSMXVNYNTUYBS-YKUCYRFJSA-N 0 0 504.380 4.619 50 0 KJAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000000712659 551533642 /nfs/dbraw/zinc/53/36/42/551533642.db2.gz UOSMXVNYNTUYBS-FPAXGFGJSA-N 0 0 504.380 4.619 50 0 KJAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000000712660 551533660 /nfs/dbraw/zinc/53/36/60/551533660.db2.gz UOSMXVNYNTUYBS-XDJZYPBNSA-N 0 0 504.380 4.619 50 0 KJAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000000712661 551533619 /nfs/dbraw/zinc/53/36/19/551533619.db2.gz UOSMXVNYNTUYBS-KWMZMRFFSA-N 0 0 504.380 4.619 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)ccc1Br ZINC000000713546 551533604 /nfs/dbraw/zinc/53/36/04/551533604.db2.gz KYJWEHPZMMAZDG-UHFFFAOYSA-N 0 0 543.443 4.741 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000713997 551533871 /nfs/dbraw/zinc/53/38/71/551533871.db2.gz JYCHGIGHGPECJE-UHFFFAOYSA-N 0 0 555.436 4.862 50 0 KJAARN CCCS(=O)(=O)c1c2cc(-c3ccncc3)ccn2c(C(=O)c2ccc(F)cc2)c1S(=O)(=O)CCC ZINC000000714531 551533867 /nfs/dbraw/zinc/53/38/67/551533867.db2.gz XGZNUVFTUQULKK-UHFFFAOYSA-N 0 0 528.627 4.739 50 0 KJAARN O=C(c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN(C(=O)c2ccccc2)CC1 ZINC000000714874 551534082 /nfs/dbraw/zinc/53/40/82/551534082.db2.gz DQRPVUSBQPHQSC-RTWAWAEBSA-N 0 0 562.390 4.904 50 0 KJAARN O=C(c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN(C(=O)c2ccccc2)CC1 ZINC000000714875 551534067 /nfs/dbraw/zinc/53/40/67/551534067.db2.gz DQRPVUSBQPHQSC-NHCUHLMSSA-N 0 0 562.390 4.904 50 0 KJAARN O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN(C(=O)c2ccccc2)CC1 ZINC000000714876 551534087 /nfs/dbraw/zinc/53/40/87/551534087.db2.gz DQRPVUSBQPHQSC-SFTDATJTSA-N 0 0 562.390 4.904 50 0 KJAARN O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN(C(=O)c2ccccc2)CC1 ZINC000000714877 551534019 /nfs/dbraw/zinc/53/40/19/551534019.db2.gz DQRPVUSBQPHQSC-LEWJYISDSA-N 0 0 562.390 4.904 50 0 KJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C(=O)c5ccccc5)CC4)c(Cl)c3N2)cc1OC ZINC000000714926 551534049 /nfs/dbraw/zinc/53/40/49/551534049.db2.gz KZRPADTXGAHOKI-NQIIRXRSSA-N 0 0 577.991 4.812 50 0 KJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C(=O)c5ccccc5)CC4)c(Cl)c3N2)cc1OC ZINC000000714928 551534323 /nfs/dbraw/zinc/53/43/23/551534323.db2.gz KZRPADTXGAHOKI-WIYYLYMNSA-N 0 0 577.991 4.812 50 0 KJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C(=O)c5ccccc5)CC4)c(Cl)c3N2)cc1OC ZINC000000714929 551534279 /nfs/dbraw/zinc/53/42/79/551534279.db2.gz KZRPADTXGAHOKI-GHTZIAJQSA-N 0 0 577.991 4.812 50 0 KJAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)sc2c1CCCC2 ZINC000000715587 551534275 /nfs/dbraw/zinc/53/42/75/551534275.db2.gz FVFDEPYBGIJUNB-WYMLVPIESA-N 0 0 532.684 4.639 50 0 KJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000000716593 551534262 /nfs/dbraw/zinc/53/42/62/551534262.db2.gz MWDKVVFSWBRHHH-HXUWFJFHSA-N 0 0 541.785 4.806 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc32)cc1S(=O)(=O)NCc1ccccn1 ZINC000000718289 551535189 /nfs/dbraw/zinc/53/51/89/551535189.db2.gz OAYRPRZDRMUESX-UHFFFAOYSA-N 0 0 525.590 4.951 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc(C(=O)N(C)C)cc3)c3ccccc32)cc1S(=O)(=O)NCc1ccccn1 ZINC000000718345 551535185 /nfs/dbraw/zinc/53/51/85/551535185.db2.gz DBKZAJXUQYNRJB-UHFFFAOYSA-N 0 0 552.660 4.924 50 0 KJAARN COc1cc([C@H](C(=O)Nc2c(C)cccc2C)N(Cc2ccco2)C(=O)c2ccc(-n3cnnn3)cc2)ccc1O ZINC000000718701 551535530 /nfs/dbraw/zinc/53/55/30/551535530.db2.gz CHFAWMCSAGULHD-MUUNZHRXSA-N 0 0 552.591 4.609 50 0 KJAARN COc1cc([C@@H](C(=O)Nc2c(C)cccc2C)N(Cc2ccco2)C(=O)c2ccc(-n3cnnn3)cc2)ccc1O ZINC000000718702 551535583 /nfs/dbraw/zinc/53/55/83/551535583.db2.gz CHFAWMCSAGULHD-NDEPHWFRSA-N 0 0 552.591 4.609 50 0 KJAARN COc1cccc(N(C(=O)c2ccc(-n3cnnn3)cc2)C2(C(=O)Nc3c(C)cccc3C)CCCC2)c1 ZINC000000718745 551535562 /nfs/dbraw/zinc/53/55/62/551535562.db2.gz KSSKEJZKEWMDAV-UHFFFAOYSA-N 0 0 510.598 4.886 50 0 KJAARN FC(F)(Cl)Oc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000000718805 551535568 /nfs/dbraw/zinc/53/55/68/551535568.db2.gz AZHQZHTXQFACMU-UHFFFAOYSA-N 0 0 552.413 4.600 50 0 KJAARN COc1ccc(N(C(=O)c2ccc(-n3cnnn3)cc2)C2(C(=O)Nc3ccccc3C)CCCCC2)cc1 ZINC000000719053 551535755 /nfs/dbraw/zinc/53/57/55/551535755.db2.gz TYXUAKRHBWZNBG-UHFFFAOYSA-N 0 0 510.598 4.968 50 0 KJAARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 ZINC000000719155 252327727 /nfs/dbraw/zinc/32/77/27/252327727.db2.gz YPPNLSKYXDXQGD-UHFFFAOYSA-N 0 0 526.887 4.892 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 ZINC000000719197 551535773 /nfs/dbraw/zinc/53/57/73/551535773.db2.gz QCFPVKOOPVVAHK-LJQANCHMSA-N 0 0 534.400 4.894 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 ZINC000000719199 551535764 /nfs/dbraw/zinc/53/57/64/551535764.db2.gz QCFPVKOOPVVAHK-IBGZPJMESA-N 0 0 534.400 4.894 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 ZINC000000719208 551535776 /nfs/dbraw/zinc/53/57/76/551535776.db2.gz TZERONMLMXJDIE-LJQANCHMSA-N 0 0 516.410 4.755 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 ZINC000000719209 551535807 /nfs/dbraw/zinc/53/58/07/551535807.db2.gz TZERONMLMXJDIE-IBGZPJMESA-N 0 0 516.410 4.755 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Nc2ncc(Cl)cc2Cl)cc1 ZINC000000719210 551535760 /nfs/dbraw/zinc/53/57/60/551535760.db2.gz CISZLLWPUIHYII-IBGZPJMESA-N 0 0 534.400 4.894 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Nc2ncc(Cl)cc2Cl)cc1 ZINC000000719211 551535802 /nfs/dbraw/zinc/53/58/02/551535802.db2.gz CISZLLWPUIHYII-LJQANCHMSA-N 0 0 534.400 4.894 50 0 KJAARN Cc1[nH]c2ccccc2c1CCn1c(=O)[nH]c(=O)c2c1NC(c1cccs1)=NC2(C(F)(F)F)C(F)(F)F ZINC000000719259 551535705 /nfs/dbraw/zinc/53/57/05/551535705.db2.gz WZDYGLJKGMMFFO-UHFFFAOYSA-N 0 0 541.477 4.823 50 0 KJAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCCc1ccc2c(c1)OCCO2 ZINC000000719363 551536070 /nfs/dbraw/zinc/53/60/70/551536070.db2.gz WVQJIVVXCJHUIT-UHFFFAOYSA-N 0 0 533.675 4.548 50 0 KJAARN COc1cccc(NC2=C(Cl)C(=O)N(c3ccccc3N3C(=O)C(Cl)=C(Nc4cccc(OC)c4)C3=O)C2=O)c1 ZINC000000719429 551536064 /nfs/dbraw/zinc/53/60/64/551536064.db2.gz RCEJERJAXLDCKY-UHFFFAOYSA-N 0 0 579.396 4.575 50 0 KJAARN COc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2N2C(=O)C(Cl)=C(Nc3ccccc3OC)C2=O)C1=O ZINC000000719431 551536085 /nfs/dbraw/zinc/53/60/85/551536085.db2.gz BNHGUXDBSJTQPB-UHFFFAOYSA-N 0 0 579.396 4.575 50 0 KJAARN Cn1c2nc(Oc3ccc(Oc4ncc(Cl)cc4Cl)cc3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000000719740 551536381 /nfs/dbraw/zinc/53/63/81/551536381.db2.gz GNBGJCQFYYOCBE-UHFFFAOYSA-N 0 0 542.354 4.908 50 0 biogenic KJAARN Cn1c2nc(Oc3ccc(Oc4ncc(Cl)cc4Cl)cc3)n(Cc3cccc(F)c3)c2c(=O)n(C)c1=O ZINC000000719742 551536401 /nfs/dbraw/zinc/53/64/01/551536401.db2.gz BAMHGJUEPWCWRQ-UHFFFAOYSA-N 0 0 542.354 4.908 50 0 biogenic KJAARN CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Br)c(C(=O)OCC)c1C ZINC000000719954 551536594 /nfs/dbraw/zinc/53/65/94/551536594.db2.gz HPERMQZHAJUHPT-UHFFFAOYSA-N 0 0 504.786 4.843 50 0 KJAARN CCOc1ccc(CCn2c(=O)[nH]c(=O)c3c2NC(c2cccs2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000000720155 551536895 /nfs/dbraw/zinc/53/68/95/551536895.db2.gz DCXWNPKJZITEKN-UHFFFAOYSA-N 0 0 576.519 4.830 50 0 KJAARN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1 ZINC000000720167 551536857 /nfs/dbraw/zinc/53/68/57/551536857.db2.gz BEQUUWQJVRWMDB-HXUWFJFHSA-N 0 0 531.396 4.808 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000000720284 551536852 /nfs/dbraw/zinc/53/68/52/551536852.db2.gz WJZIVEWXIBPPDO-DEOSSOPVSA-N 0 0 519.598 4.576 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000000720285 551536867 /nfs/dbraw/zinc/53/68/67/551536867.db2.gz WJZIVEWXIBPPDO-XMMPIXPASA-N 0 0 519.598 4.576 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000000720286 551536903 /nfs/dbraw/zinc/53/69/03/551536903.db2.gz ILWBXHCILIYYFL-VWLOTQADSA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000000720287 551536886 /nfs/dbraw/zinc/53/68/86/551536886.db2.gz ILWBXHCILIYYFL-RUZDIDTESA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Nc2ncc(Cl)cc2Cl)cc1 ZINC000000720301 551536912 /nfs/dbraw/zinc/53/69/12/551536912.db2.gz NACMRRFUZVGHLB-NRFANRHFSA-N 0 0 588.473 4.932 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Nc2ncc(Cl)cc2Cl)cc1 ZINC000000720302 551536943 /nfs/dbraw/zinc/53/69/43/551536943.db2.gz NACMRRFUZVGHLB-OAQYLSRUSA-N 0 0 588.473 4.932 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(OC)c3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 ZINC000000720303 551536932 /nfs/dbraw/zinc/53/69/32/551536932.db2.gz XBGBIQQXWJUSPE-HXUWFJFHSA-N 0 0 546.436 4.764 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)N(Nc3ncc(Cl)cc3Cl)C2=S)cc1 ZINC000000720304 551536942 /nfs/dbraw/zinc/53/69/42/551536942.db2.gz XBGBIQQXWJUSPE-FQEVSTJZSA-N 0 0 546.436 4.764 50 0 KJAARN Cc1[nH]c2ccccc2c1CCn1c(=O)[nH]c(=O)c2c1NC(c1ccccc1)=NC2(C(F)(F)F)C(F)(F)F ZINC000000720342 551536880 /nfs/dbraw/zinc/53/68/80/551536880.db2.gz GAHGDYPMDKGQFY-UHFFFAOYSA-N 0 0 535.448 4.761 50 0 KJAARN CCOc1ccc(CCn2c(=O)[nH]c(=O)c3c2NC(c2ccccc2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000000720570 551537206 /nfs/dbraw/zinc/53/72/06/551537206.db2.gz NTTNJIZFJMODFA-UHFFFAOYSA-N 0 0 570.490 4.769 50 0 KJAARN O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000000720774 551537174 /nfs/dbraw/zinc/53/71/74/551537174.db2.gz RMIASYDCCQFMBO-HXUWFJFHSA-N 0 0 531.396 4.808 50 0 KJAARN COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4O)c3n2)cc(OC)c1OC ZINC000000720959 551537423 /nfs/dbraw/zinc/53/74/23/551537423.db2.gz DIDDKNXJZJQFJA-UHFFFAOYSA-N 0 0 502.449 4.707 50 0 KJAARN Cc1c(NC(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)c(=O)n(-c2ccccc2)n1C ZINC000000720979 551537424 /nfs/dbraw/zinc/53/74/24/551537424.db2.gz GVSOGROXLXGSMK-UHFFFAOYSA-N 0 0 518.499 4.564 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc2-3)cc1 ZINC000000725839 551538027 /nfs/dbraw/zinc/53/80/27/551538027.db2.gz UPGFKQARNGEPSU-UHFFFAOYSA-N 0 0 550.614 4.517 50 0 KJAARN O=C(c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br)N1CCN(C(=O)c2ccccc2)CC1 ZINC000000726447 551538438 /nfs/dbraw/zinc/53/84/38/551538438.db2.gz DDRGXHNWSDHPAP-UHFFFAOYSA-N 0 0 558.358 4.776 50 0 KJAARN COc1ccccc1NC(=S)N[C@H](NC(=O)c1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000000727217 551538476 /nfs/dbraw/zinc/53/84/76/551538476.db2.gz VHGBAEBOZYFZEQ-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1NC(=S)N[C@@H](NC(=O)c1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000000727219 551538392 /nfs/dbraw/zinc/53/83/92/551538392.db2.gz VHGBAEBOZYFZEQ-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)c1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000000727220 551538415 /nfs/dbraw/zinc/53/84/15/551538415.db2.gz ZVLLASYTRMDWRZ-INIZCTEOSA-N 0 0 539.666 4.648 50 0 KJAARN COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)c1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000000727221 551538393 /nfs/dbraw/zinc/53/83/93/551538393.db2.gz ZVLLASYTRMDWRZ-MRXNPFEDSA-N 0 0 539.666 4.648 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000727662 551538904 /nfs/dbraw/zinc/53/89/04/551538904.db2.gz PEGJZPKHIGFLHH-UHFFFAOYSA-N 0 0 519.417 4.690 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000727672 551538867 /nfs/dbraw/zinc/53/88/67/551538867.db2.gz DNOCMKWJPLSCNB-UHFFFAOYSA-N 0 0 531.428 4.884 50 0 KJAARN CCCS(=O)(=O)c1c(C(=O)c2ccc(Br)cc2)n2cccc(C)c2c1S(=O)(=O)CCC ZINC000000728787 551539089 /nfs/dbraw/zinc/53/90/89/551539089.db2.gz ISHZECANLWGMSZ-UHFFFAOYSA-N 0 0 526.474 4.609 50 0 KJAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000000728964 551539000 /nfs/dbraw/zinc/53/90/00/551539000.db2.gz MHTVEUKOQITREZ-CYBMUJFWSA-N 0 0 527.396 4.978 50 0 KJAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000000728966 551539045 /nfs/dbraw/zinc/53/90/45/551539045.db2.gz MHTVEUKOQITREZ-ZDUSSCGKSA-N 0 0 527.396 4.978 50 0 KJAARN COC(=O)c1c(NC(=O)COc2ccc(Br)cc2Br)sc2c1CCCC2 ZINC000000729796 551539455 /nfs/dbraw/zinc/53/94/55/551539455.db2.gz JTNIMWCLSBOEHE-UHFFFAOYSA-N 0 0 503.212 4.956 50 0 KJAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000000731779 551539696 /nfs/dbraw/zinc/53/96/96/551539696.db2.gz VOTGWMNQVVJKJE-UHFFFAOYSA-N 0 0 508.987 4.737 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc(Cl)cc(N3CCN(C(=O)C4CCCCC4)[C@@H](C)C3)n2)cc1 ZINC000000734374 551539703 /nfs/dbraw/zinc/53/97/03/551539703.db2.gz IKSBXCSZMDVZAP-SFHVURJKSA-N 0 0 502.084 4.787 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc(Cl)cc(N3CCN(C(=O)C4CCCCC4)[C@H](C)C3)n2)cc1 ZINC000000734375 551539737 /nfs/dbraw/zinc/53/97/37/551539737.db2.gz IKSBXCSZMDVZAP-GOSISDBHSA-N 0 0 502.084 4.787 50 0 KJAARN COc1ccc(CC(=O)N2CCN(c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3)CC2)cc1 ZINC000000740803 551540767 /nfs/dbraw/zinc/54/07/67/551540767.db2.gz RMVZIVVXBBVGSD-UHFFFAOYSA-N 0 0 515.635 4.541 50 0 KJAARN CC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000000742069 551540737 /nfs/dbraw/zinc/54/07/37/551540737.db2.gz ZPVARBZYJBKQLT-OAQYLSRUSA-N 0 0 546.668 4.820 50 0 KJAARN CC[C@H](C)NC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000000742070 551540734 /nfs/dbraw/zinc/54/07/34/551540734.db2.gz ZPVARBZYJBKQLT-NRFANRHFSA-N 0 0 546.668 4.820 50 0 KJAARN CC[C@@H](C)NC(=O)c1cc(NC(=O)c2c(OC)cccc2OC)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000000742095 551540805 /nfs/dbraw/zinc/54/08/05/551540805.db2.gz YZUIBKSVWNDCKR-OAQYLSRUSA-N 0 0 546.668 4.820 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccc(Br)cc1)N(Cc1cccs1)Cc1ccccc1 ZINC000000742455 551540788 /nfs/dbraw/zinc/54/07/88/551540788.db2.gz OAJIZAYUWCCYFR-UHFFFAOYSA-N 0 0 556.526 4.514 50 0 KJAARN CCOc1ccc(NC(=O)N(CCN2CCOCC2)CC(=O)N(Cc2cccs2)Cc2ccccc2)cc1 ZINC000000742880 551541088 /nfs/dbraw/zinc/54/10/88/551541088.db2.gz SJHNGQZNDIIZPV-UHFFFAOYSA-N 0 0 536.698 4.542 50 0 KJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CCN2CCOCC2)C(=O)Nc2cccc(C)c2)s1 ZINC000000743036 551541115 /nfs/dbraw/zinc/54/11/15/551541115.db2.gz LPFHNUCPJLTZJF-UHFFFAOYSA-N 0 0 520.699 4.760 50 0 KJAARN COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000000746979 551541344 /nfs/dbraw/zinc/54/13/44/551541344.db2.gz UVSIDGHMOYHZPP-QFIPXVFZSA-N 0 0 549.071 4.836 50 0 KJAARN COc1ccccc1N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C(=O)NC[C@H]2CCCO2)CC1 ZINC000000747004 551541319 /nfs/dbraw/zinc/54/13/19/551541319.db2.gz XJPRWFKYZDWNAT-RUZDIDTESA-N 0 0 579.097 4.602 50 0 KJAARN COc1ccccc1N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000000747005 551541358 /nfs/dbraw/zinc/54/13/58/551541358.db2.gz XJPRWFKYZDWNAT-VWLOTQADSA-N 0 0 579.097 4.602 50 0 KJAARN COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2C(=O)NCC(C)C)CC1 ZINC000000747875 551541342 /nfs/dbraw/zinc/54/13/42/551541342.db2.gz HRQFAQWNWKXRLK-UHFFFAOYSA-N 0 0 500.643 4.968 50 0 KJAARN Cc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C)cc4O)C5=O)cc3C2=O)c(O)c1 ZINC000000754628 561675468 /nfs/dbraw/zinc/67/54/68/561675468.db2.gz HSLWBWZUDWWHNZ-UHFFFAOYSA-N 0 0 532.508 4.547 50 0 KJAARN O=C(c1ccc(N2CCOCC2)cc1)c1cc(C(=O)N2CCOCC2)ccc1-c1ccc(Br)cc1 ZINC000000754691 1067156383 /nfs/dbraw/zinc/15/63/83/1067156383.db2.gz JPMUQOHBUPXVEZ-UHFFFAOYSA-N 0 0 535.438 4.656 50 0 KJAARN O=C(c1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000756529 551541703 /nfs/dbraw/zinc/54/17/03/551541703.db2.gz BSIGJYFGHUQETP-UHFFFAOYSA-N 0 0 523.464 4.918 50 0 KJAARN COc1ccc(CCN(C)CC(=O)Nc2c3c(nc4ccccc42)N(Cc2ccccc2)CC3)cc1OC ZINC000000758877 551541582 /nfs/dbraw/zinc/54/15/82/551541582.db2.gz XSYNINCFVITLDN-UHFFFAOYSA-N 0 0 510.638 4.928 50 0 KJAARN CCCS(=O)(=O)c1c(C(=O)c2ccc(F)cc2)n2ccc3ccccc3c2c1S(=O)(=O)CCC ZINC000000783588 551542404 /nfs/dbraw/zinc/54/24/04/551542404.db2.gz BLOKZWFUTBMYJB-UHFFFAOYSA-N 0 0 501.601 4.830 50 0 KJAARN CCCS(=O)(=O)c1c2cc(-c3ccncc3)ccn2c(C(=O)c2ccc(C)cc2)c1S(=O)(=O)CCC ZINC000000783589 551542347 /nfs/dbraw/zinc/54/23/47/551542347.db2.gz CCYIIKWUIHOYEQ-UHFFFAOYSA-N 0 0 524.664 4.908 50 0 KJAARN CCCS(=O)(=O)c1c2cc(-c3ccncc3)ccn2c(C(=O)c2ccc(OC)cc2)c1S(=O)(=O)CCC ZINC000000783590 551542398 /nfs/dbraw/zinc/54/23/98/551542398.db2.gz MEIXYFNSWMQLAT-UHFFFAOYSA-N 0 0 540.663 4.608 50 0 KJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(I)cc1)OCc1ccccc1 ZINC000000788068 551542649 /nfs/dbraw/zinc/54/26/49/551542649.db2.gz WTBXNHNSAGJJAT-NRFANRHFSA-N 0 0 500.336 4.767 50 0 KJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(I)cc1)OCc1ccccc1 ZINC000000788070 551542590 /nfs/dbraw/zinc/54/25/90/551542590.db2.gz WTBXNHNSAGJJAT-OAQYLSRUSA-N 0 0 500.336 4.767 50 0 KJAARN O=S(=O)(c1ccc(Sc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)N1CCCCCC1 ZINC000000792960 551542668 /nfs/dbraw/zinc/54/26/68/551542668.db2.gz DWCHYLFQJRMPKH-UHFFFAOYSA-N 0 0 508.731 4.967 50 0 KJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C(=O)OCC(=O)c1ccccc1)C2=O)c1ccccc1 ZINC000000797320 551542895 /nfs/dbraw/zinc/54/28/95/551542895.db2.gz NNSOEKCTWAVFFE-UHFFFAOYSA-N 0 0 547.519 4.567 50 0 KJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)OCC(=O)c3ccccc3)c1)C2=O)c1ccccc1 ZINC000000797322 551543209 /nfs/dbraw/zinc/54/32/09/551543209.db2.gz HGLFPPQNUMZZHQ-UHFFFAOYSA-N 0 0 547.519 4.567 50 0 KJAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)cc1)c1ccccc1 ZINC000000797328 551543237 /nfs/dbraw/zinc/54/32/37/551543237.db2.gz QPERCQMWLAAXEI-UHFFFAOYSA-N 0 0 547.519 4.567 50 0 KJAARN O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1c1ccccn1 ZINC000000808575 551543688 /nfs/dbraw/zinc/54/36/88/551543688.db2.gz PPCMRBQEVVWHDH-UHFFFAOYSA-N 0 0 539.803 4.932 50 0 KJAARN COc1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4ccc(OC)cc4)C5=O)cc3C2=O)cc1 ZINC000000808593 551543695 /nfs/dbraw/zinc/54/36/95/551543695.db2.gz IBYHHWBUJXJYAZ-UHFFFAOYSA-N 0 0 504.498 4.972 50 0 KJAARN COc1ccc(NC(=O)C(C(=O)Nc2ccc(OC)c(OC)c2)=C2NC(C)(C)Cc3ccccc32)cc1OC ZINC000000816634 551543699 /nfs/dbraw/zinc/54/36/99/551543699.db2.gz PAMRCGIBSLCOOR-UHFFFAOYSA-N 0 0 531.609 4.634 50 0 biogenic KJAARN CC1(C)Cc2c3c(N)c(C(=O)c4ccc(Br)cc4)sc3nc(N3CCOCC3)c2CO1 ZINC000000820785 551544049 /nfs/dbraw/zinc/54/40/49/551544049.db2.gz ASEBBNXZJBBYOJ-UHFFFAOYSA-N 0 0 502.434 4.560 50 0 KJAARN CCCC(=O)N(c1ccc(N(C(=O)CCC)S(=O)(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000000822116 551544186 /nfs/dbraw/zinc/54/41/86/551544186.db2.gz TZNOEPWCJLOQQQ-UHFFFAOYSA-N 0 0 528.652 4.731 50 0 KJAARN O=S(=O)(NC[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccccc1 ZINC000000822737 551544258 /nfs/dbraw/zinc/54/42/58/551544258.db2.gz YHHBGHUJICCQNG-INIZCTEOSA-N 0 0 538.261 4.659 50 0 KJAARN O=S(=O)(NC[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21)c1ccccc1 ZINC000000822738 551544273 /nfs/dbraw/zinc/54/42/73/551544273.db2.gz YHHBGHUJICCQNG-MRXNPFEDSA-N 0 0 538.261 4.659 50 0 KJAARN O=C(COC(=O)c1cccc(C(=O)OCC(=O)c2ccc(Br)cc2)n1)c1ccc(Br)cc1 ZINC000000825468 551544722 /nfs/dbraw/zinc/54/47/22/551544722.db2.gz DTRZMEGOPSPDEB-UHFFFAOYSA-N 0 0 561.182 4.686 50 0 aggregator KJAARN O=C(c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl)N1CCN(C(=O)c2ccccc2)CC1 ZINC000000825567 551544696 /nfs/dbraw/zinc/54/46/96/551544696.db2.gz NGGIAVGCELJPHC-UHFFFAOYSA-N 0 0 513.907 4.667 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000000825896 551544871 /nfs/dbraw/zinc/54/48/71/551544871.db2.gz BTXADSCKJPDGQJ-CQSZACIVSA-N 0 0 528.630 4.704 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000000825897 551544864 /nfs/dbraw/zinc/54/48/64/551544864.db2.gz BTXADSCKJPDGQJ-AWEZNQCLSA-N 0 0 528.630 4.704 50 0 KJAARN CCCS(=O)(=O)c1c2cc(-c3ccncc3)ccn2c(C(=O)c2ccccc2)c1S(=O)(=O)CCC ZINC000000826066 551544869 /nfs/dbraw/zinc/54/48/69/551544869.db2.gz MLMQPBXJVGMWCG-UHFFFAOYSA-N 0 0 510.637 4.600 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc(NC(=O)c3cccc(OC)c3)c2)c1 ZINC000000826772 551544893 /nfs/dbraw/zinc/54/48/93/551544893.db2.gz WDHHMPTWXMHXFF-UHFFFAOYSA-N 0 0 517.003 4.851 50 0 KJAARN O=C(c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000000826902 551545221 /nfs/dbraw/zinc/54/52/21/551545221.db2.gz PPIWGTXETNNADC-UHFFFAOYSA-N 0 0 508.436 4.797 50 0 KJAARN O=C(c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br)N1CCN(C(=O)c2ccccc2)CC1 ZINC000000827072 551545255 /nfs/dbraw/zinc/54/52/55/551545255.db2.gz GILTYBKWFAIRFG-UHFFFAOYSA-N 0 0 564.387 4.837 50 0 KJAARN Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(-n2nc3ccccc3n2)c1 ZINC000000827250 551545509 /nfs/dbraw/zinc/54/55/09/551545509.db2.gz RCLBZUQNJJCAOU-UHFFFAOYSA-N 0 0 511.003 4.776 50 0 KJAARN O=C(Nc1cccc(OC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)c1)c1ccco1 ZINC000000827257 551545469 /nfs/dbraw/zinc/54/54/69/551545469.db2.gz ZOXREYRWMQBJGM-UHFFFAOYSA-N 0 0 533.400 4.688 50 0 aggregator KJAARN CCOC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000000827435 551545520 /nfs/dbraw/zinc/54/55/20/551545520.db2.gz RJEOTYAVVAKHEY-XTJBDQBJSA-N 0 0 502.405 4.796 50 0 KJAARN COC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C(=O)OC)cc4)C5=O)cc3C2=O)cc1 ZINC000000828650 551545780 /nfs/dbraw/zinc/54/57/80/551545780.db2.gz AOKRZOPZPJOBMO-UHFFFAOYSA-N 0 0 576.517 4.653 50 0 KJAARN O=C(c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000830012 551545756 /nfs/dbraw/zinc/54/57/56/551545756.db2.gz MMPXQADKSGGSTL-UHFFFAOYSA-N 0 0 523.464 4.918 50 0 KJAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc1-2)c1ccccc1 ZINC000000831228 551546066 /nfs/dbraw/zinc/54/60/66/551546066.db2.gz TXZNNPZWNKZMND-PMACEKPBSA-N 0 0 546.670 4.977 50 0 KJAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc1-2)c1ccccc1 ZINC000000831229 551546099 /nfs/dbraw/zinc/54/60/99/551546099.db2.gz TXZNNPZWNKZMND-BGYRXZFFSA-N 0 0 546.670 4.977 50 0 KJAARN O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000000831837 551546312 /nfs/dbraw/zinc/54/63/12/551546312.db2.gz BVSBSJQBLYSULR-UHFFFAOYSA-N 0 0 516.189 4.811 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000833441 551546601 /nfs/dbraw/zinc/54/66/01/551546601.db2.gz HKCRDFZDYXPRNM-UHFFFAOYSA-N 0 0 549.443 4.699 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C)cc3)CCCC2=O)cc1 ZINC000000834406 551546616 /nfs/dbraw/zinc/54/66/16/551546616.db2.gz AWWRDRQFWBNGHU-UHFFFAOYSA-N 0 0 508.621 4.815 50 0 KJAARN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1 ZINC000000835070 551546585 /nfs/dbraw/zinc/54/65/85/551546585.db2.gz VYXOLVSMMLPTEG-UHFFFAOYSA-N 0 0 506.365 4.510 50 0 KJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000000835312 551546875 /nfs/dbraw/zinc/54/68/75/551546875.db2.gz JVYFQSKEDWNJPI-UHFFFAOYSA-N 0 0 506.365 4.510 50 0 KJAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836965 551547067 /nfs/dbraw/zinc/54/70/67/551547067.db2.gz KLPAPBURVHERON-MRXNPFEDSA-N 0 0 541.682 4.879 50 0 KJAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836967 551547075 /nfs/dbraw/zinc/54/70/75/551547075.db2.gz KLPAPBURVHERON-INIZCTEOSA-N 0 0 541.682 4.879 50 0 KJAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc(Br)c2)C(Cl)(Cl)Cl)cc1OC ZINC000000836968 551547073 /nfs/dbraw/zinc/54/70/73/551547073.db2.gz BOLGJSQHMZTMLU-MRXNPFEDSA-N 0 0 541.682 4.879 50 0 KJAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc(Br)c2)C(Cl)(Cl)Cl)cc1OC ZINC000000836969 551547082 /nfs/dbraw/zinc/54/70/82/551547082.db2.gz BOLGJSQHMZTMLU-INIZCTEOSA-N 0 0 541.682 4.879 50 0 KJAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(I)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836971 551547094 /nfs/dbraw/zinc/54/70/94/551547094.db2.gz DSPXBUSSJLUELB-MRXNPFEDSA-N 0 0 588.682 4.721 50 0 KJAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(I)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000000836972 551547063 /nfs/dbraw/zinc/54/70/63/551547063.db2.gz DSPXBUSSJLUELB-INIZCTEOSA-N 0 0 588.682 4.721 50 0 KJAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2I)C(Cl)(Cl)Cl)cc1OC ZINC000000836973 551547079 /nfs/dbraw/zinc/54/70/79/551547079.db2.gz FSPUFPUFKQSRCO-MRXNPFEDSA-N 0 0 588.682 4.721 50 0 KJAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2I)C(Cl)(Cl)Cl)cc1OC ZINC000000836975 551547069 /nfs/dbraw/zinc/54/70/69/551547069.db2.gz FSPUFPUFKQSRCO-INIZCTEOSA-N 0 0 588.682 4.721 50 0 KJAARN COc1cccc(C(=O)Nc2cccc(OC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)c2)c1 ZINC000000837365 551547064 /nfs/dbraw/zinc/54/70/64/551547064.db2.gz ZJKFAEITWDIZGW-UHFFFAOYSA-N 0 0 529.014 4.995 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C)cc2)cc1OC ZINC000000839929 551547531 /nfs/dbraw/zinc/54/75/31/551547531.db2.gz OOWDHVRVHROLBO-UHFFFAOYSA-N 0 0 508.518 4.865 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000000840825 551547499 /nfs/dbraw/zinc/54/74/99/551547499.db2.gz IGHBHJRMFWYXNF-UHFFFAOYSA-N 0 0 503.045 4.906 50 0 KJAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000000841998 551547563 /nfs/dbraw/zinc/54/75/63/551547563.db2.gz XSHUWUKNXJNEDY-YKUCYRFJSA-N 0 0 504.380 4.619 50 0 KJAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000000841999 551547521 /nfs/dbraw/zinc/54/75/21/551547521.db2.gz XSHUWUKNXJNEDY-FPAXGFGJSA-N 0 0 504.380 4.619 50 0 KJAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000000842000 551547503 /nfs/dbraw/zinc/54/75/03/551547503.db2.gz XSHUWUKNXJNEDY-XDJZYPBNSA-N 0 0 504.380 4.619 50 0 KJAARN COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000000842001 551547487 /nfs/dbraw/zinc/54/74/87/551547487.db2.gz XSHUWUKNXJNEDY-KWMZMRFFSA-N 0 0 504.380 4.619 50 0 KJAARN Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)N(S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1 ZINC000000842139 551547555 /nfs/dbraw/zinc/54/75/55/551547555.db2.gz XQWRQKNERKKCCN-UHFFFAOYSA-N 0 0 546.626 4.688 50 0 KJAARN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000000842490 551547780 /nfs/dbraw/zinc/54/77/80/551547780.db2.gz NGYGDOZLIXDKTA-UHFFFAOYSA-N 0 0 513.465 4.824 50 0 KJAARN COc1ccc(NC(=O)c2cc3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3n2)cc1OC ZINC000000844982 551548027 /nfs/dbraw/zinc/54/80/27/551548027.db2.gz CGEVLXCSXCTIOX-UHFFFAOYSA-N 0 0 502.449 4.702 50 0 KJAARN COc1ccc(NC(=O)c2cnn3c2nc(-c2ccc(OC)c(OC)c2)cc3C(F)(F)F)c(OC)c1 ZINC000000845001 551548082 /nfs/dbraw/zinc/54/80/82/551548082.db2.gz QWDYPMVQJOHZDD-UHFFFAOYSA-N 0 0 502.449 4.702 50 0 KJAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 ZINC000000845146 551548337 /nfs/dbraw/zinc/54/83/37/551548337.db2.gz OJZPFBJDANNLTI-JTQLQIEISA-N 0 0 521.403 4.923 50 0 KJAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000000845147 551548319 /nfs/dbraw/zinc/54/83/19/551548319.db2.gz OJZPFBJDANNLTI-SNVBAGLBSA-N 0 0 521.403 4.923 50 0 KJAARN O=C(NC[C@H]1CCCO1)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000000845277 551548617 /nfs/dbraw/zinc/54/86/17/551548617.db2.gz VVOSPSQZFGJDPQ-GFCCVEGCSA-N 0 0 503.706 4.740 50 0 KJAARN O=C(NC[C@@H]1CCCO1)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000000845278 551548669 /nfs/dbraw/zinc/54/86/69/551548669.db2.gz VVOSPSQZFGJDPQ-LBPRGKRZSA-N 0 0 503.706 4.740 50 0 KJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCCCCC2)cc1 ZINC000000846248 551549183 /nfs/dbraw/zinc/54/91/83/551549183.db2.gz RHYLBMWDHSPNJT-NDEPHWFRSA-N 0 0 529.637 4.833 50 0 KJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC2CCCCCC2)cc1 ZINC000000846249 551549227 /nfs/dbraw/zinc/54/92/27/551549227.db2.gz RHYLBMWDHSPNJT-MUUNZHRXSA-N 0 0 529.637 4.833 50 0 KJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000000846261 551549179 /nfs/dbraw/zinc/54/91/79/551549179.db2.gz OVZPMODMZSIYEG-NDEPHWFRSA-N 0 0 523.589 4.941 50 0 KJAARN Cc1ccc(S(=O)(=O)NC[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1 ZINC000000846727 551549219 /nfs/dbraw/zinc/54/92/19/551549219.db2.gz IKIRVRTVIXKISQ-KRWDZBQOSA-N 0 0 552.288 4.967 50 0 KJAARN Cc1ccc(S(=O)(=O)NC[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1 ZINC000000846728 551549221 /nfs/dbraw/zinc/54/92/21/551549221.db2.gz IKIRVRTVIXKISQ-QGZVFWFLSA-N 0 0 552.288 4.967 50 0 KJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1ccc(Br)cc1Br ZINC000000846868 551549223 /nfs/dbraw/zinc/54/92/23/551549223.db2.gz BATNBVYYCGVMQD-UHFFFAOYSA-N 0 0 519.211 4.978 50 0 KJAARN CCOC(=O)c1c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000000846873 551549216 /nfs/dbraw/zinc/54/92/16/551549216.db2.gz IZQLKWYWNOMODO-OAQYLSRUSA-N 0 0 502.592 4.650 50 0 KJAARN CCOC(=O)c1c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000000846874 551549217 /nfs/dbraw/zinc/54/92/17/551549217.db2.gz IZQLKWYWNOMODO-NRFANRHFSA-N 0 0 502.592 4.650 50 0 KJAARN CCOC(=O)c1c(NC(=O)COc2ccc(Br)cc2Br)sc2c1CCC2 ZINC000000846892 551549214 /nfs/dbraw/zinc/54/92/14/551549214.db2.gz QYOPBUBAPQNROP-UHFFFAOYSA-N 0 0 503.212 4.956 50 0 KJAARN COc1ccc(CN(C(=O)c2cccc(F)c2)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000000847444 551549224 /nfs/dbraw/zinc/54/92/24/551549224.db2.gz AYCAUAQMVRPJKO-JOCHJYFZSA-N 0 0 511.347 4.571 50 0 KJAARN CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000000848220 551549434 /nfs/dbraw/zinc/54/94/34/551549434.db2.gz OEHPBSGROUFFQR-SANMLTNESA-N 0 0 517.582 4.562 50 0 KJAARN CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000000848221 551549411 /nfs/dbraw/zinc/54/94/11/551549411.db2.gz OEHPBSGROUFFQR-AREMUKBSSA-N 0 0 517.582 4.562 50 0 KJAARN Cc1c(NC(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000000848538 551549400 /nfs/dbraw/zinc/54/94/00/551549400.db2.gz ZVAOZIGKSRTWRA-UHFFFAOYSA-N 0 0 516.867 4.712 50 0 KJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C(=O)c5ccccc5)CC4)c(Cl)c3n2)cc1 ZINC000000848628 551549746 /nfs/dbraw/zinc/54/97/46/551549746.db2.gz FFDUFXAFKBIUKS-UHFFFAOYSA-N 0 0 527.934 4.975 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)CCc4ccccn4)c(Cl)c3n2)cc1OC ZINC000000848640 551549706 /nfs/dbraw/zinc/54/97/06/551549706.db2.gz RZSYRHFSRCDGEB-UHFFFAOYSA-N 0 0 519.911 4.795 50 0 KJAARN Cc1c(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)c(=O)n(-c2ccccc2)n1C ZINC000000848711 551549749 /nfs/dbraw/zinc/54/97/49/551549749.db2.gz TUZIBNKXNCIDOL-UHFFFAOYSA-N 0 0 506.488 4.774 50 0 KJAARN COC(=O)c1ccc(NC(=O)COC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000000849967 551549712 /nfs/dbraw/zinc/54/97/12/551549712.db2.gz HJMCBKGILIMTJP-UHFFFAOYSA-N 0 0 513.575 4.871 50 0 KJAARN Cn1c(Oc2ccc(Cl)c3cccnc23)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C ZINC000000851612 551549875 /nfs/dbraw/zinc/54/98/75/551549875.db2.gz QTBTYYDVRZKMFF-UHFFFAOYSA-N 0 0 516.772 4.783 50 0 KJAARN COc1ccccc1C(=O)O[C@H](COc1cccc2ccccc21)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000000852549 551549833 /nfs/dbraw/zinc/54/98/33/551549833.db2.gz HNLOQIMQBHTJRU-NRFANRHFSA-N 0 0 530.602 4.534 50 0 KJAARN COc1ccccc1C(=O)O[C@@H](COc1cccc2ccccc21)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000000852550 551549891 /nfs/dbraw/zinc/54/98/91/551549891.db2.gz HNLOQIMQBHTJRU-OAQYLSRUSA-N 0 0 530.602 4.534 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccc(C)cc2)cc1OC ZINC000000854499 551550195 /nfs/dbraw/zinc/55/01/95/551550195.db2.gz COUHYRHHVPBRPN-UHFFFAOYSA-N 0 0 519.417 4.609 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccc(C)cc2)cc1OC ZINC000000854501 551550192 /nfs/dbraw/zinc/55/01/92/551550192.db2.gz WFWMFAFHIKCBAX-UHFFFAOYSA-N 0 0 519.417 4.609 50 0 KJAARN COc1cccc(C(=O)N[C@H](NC(=S)Nc2ccccc2Br)C(Cl)(Cl)Cl)c1 ZINC000000855840 551550446 /nfs/dbraw/zinc/55/04/46/551550446.db2.gz VSHRYOUBWFCJDE-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2Br)C(Cl)(Cl)Cl)c1 ZINC000000855841 551550457 /nfs/dbraw/zinc/55/04/57/551550457.db2.gz VSHRYOUBWFCJDE-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(Cl)cc1 ZINC000000858055 551550693 /nfs/dbraw/zinc/55/06/93/551550693.db2.gz TVVROGLWGGJCOO-UHFFFAOYSA-N 0 0 521.864 4.652 50 0 KJAARN COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccnc4Cl)c3n2)cc(OC)c1OC ZINC000000862898 551551906 /nfs/dbraw/zinc/55/19/06/551551906.db2.gz AAIKRIGBSUDRJD-UHFFFAOYSA-N 0 0 507.856 4.742 50 0 KJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3N2)cc1 ZINC000000866471 551552905 /nfs/dbraw/zinc/55/29/05/551552905.db2.gz PPGRAHYXEVTJJI-NHCUHLMSSA-N 0 0 526.519 4.602 50 0 KJAARN Cc1c(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000000866671 551552879 /nfs/dbraw/zinc/55/28/79/551552879.db2.gz DYBXOWPMPMRMSB-AEFFLSMTSA-N 0 0 502.522 4.655 50 0 KJAARN Cc1c(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000000866672 551552914 /nfs/dbraw/zinc/55/29/14/551552914.db2.gz DYBXOWPMPMRMSB-SJLPKXTDSA-N 0 0 502.522 4.655 50 0 KJAARN Cc1c(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000000866673 551552911 /nfs/dbraw/zinc/55/29/11/551552911.db2.gz DYBXOWPMPMRMSB-WMZOPIPTSA-N 0 0 502.522 4.655 50 0 KJAARN Cc1c(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000000866674 551552959 /nfs/dbraw/zinc/55/29/59/551552959.db2.gz DYBXOWPMPMRMSB-FUHWJXTLSA-N 0 0 502.522 4.655 50 0 KJAARN Cc1c(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000000866940 551553203 /nfs/dbraw/zinc/55/32/03/551553203.db2.gz OBQMETUZRKGQLJ-ZBFHGGJFSA-N 0 0 520.899 4.840 50 0 KJAARN COc1cc(NC(=O)c2nc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc(OC)c1OC ZINC000000869868 551553690 /nfs/dbraw/zinc/55/36/90/551553690.db2.gz BKPXJBAKTNCEEY-UHFFFAOYSA-N 0 0 507.856 4.742 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000870049 551553685 /nfs/dbraw/zinc/55/36/85/551553685.db2.gz QNDIKCFNIABLOS-UHFFFAOYSA-N 0 0 549.443 4.699 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2ccc(C(C)=O)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000870053 551553659 /nfs/dbraw/zinc/55/36/59/551553659.db2.gz BBBARYNRDRHGDK-UHFFFAOYSA-N 0 0 531.428 4.884 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000870075 551553654 /nfs/dbraw/zinc/55/36/54/551553654.db2.gz MIGZTMRFEDPJQH-UHFFFAOYSA-N 0 0 519.019 4.817 50 0 KJAARN CCOC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000000879727 551555714 /nfs/dbraw/zinc/55/57/14/551555714.db2.gz NCJWGBJRAAVPKH-UHFFFAOYSA-N 0 0 526.636 4.781 50 0 KJAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c3n2)c1 ZINC000000883792 551556516 /nfs/dbraw/zinc/55/65/16/551556516.db2.gz HGZZLGYXCHLXSN-UHFFFAOYSA-N 0 0 502.449 4.702 50 0 KJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccc(OC)c(OC)c4)c3N2)c1 ZINC000000884321 551556662 /nfs/dbraw/zinc/55/66/62/551556662.db2.gz QYCLKJABKKMQDX-UGKGYDQZSA-N 0 0 504.509 4.542 50 0 KJAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccc(OC)c(OC)c4)c3N2)c1 ZINC000000884323 551556637 /nfs/dbraw/zinc/55/66/37/551556637.db2.gz QYCLKJABKKMQDX-DENIHFKCSA-N 0 0 504.509 4.542 50 0 KJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccc(OC)c(OC)c4)c3N2)c1 ZINC000000884325 551556626 /nfs/dbraw/zinc/55/66/26/551556626.db2.gz QYCLKJABKKMQDX-SIKLNZKXSA-N 0 0 504.509 4.542 50 0 KJAARN Cc1c(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)c(=O)n(-c2ccccc2)n1C ZINC000000885295 551557098 /nfs/dbraw/zinc/55/70/98/551557098.db2.gz CWYKTNLXQMIHRT-UHFFFAOYSA-N 0 0 525.556 4.790 50 0 KJAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)N1CCN(c2ccc(F)cc2)CC1 ZINC000000885326 551557508 /nfs/dbraw/zinc/55/75/08/551557508.db2.gz UJANNAKFCOENMC-UHFFFAOYSA-N 0 0 502.537 4.841 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)cc1OC ZINC000000885366 551557409 /nfs/dbraw/zinc/55/74/09/551557409.db2.gz ZKHRUICXZFXQGK-UHFFFAOYSA-N 0 0 503.546 4.729 50 0 KJAARN COc1ccccc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 ZINC000000886511 551559419 /nfs/dbraw/zinc/55/94/19/551559419.db2.gz ATWDKBGWMNGNSV-UHFFFAOYSA-N 0 0 506.584 4.700 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000000890660 551562607 /nfs/dbraw/zinc/56/26/07/551562607.db2.gz AQMVUTSTVKBCEG-UHFFFAOYSA-N 0 0 506.525 4.751 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 ZINC000000890725 551562598 /nfs/dbraw/zinc/56/25/98/551562598.db2.gz KPRSSFYHGVGSMO-UHFFFAOYSA-N 0 0 529.544 4.700 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000000890732 551562549 /nfs/dbraw/zinc/56/25/49/551562549.db2.gz CPOOCTSPVOIMNT-UHFFFAOYSA-N 0 0 507.534 4.639 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1 ZINC000000890830 551562588 /nfs/dbraw/zinc/56/25/88/551562588.db2.gz KEDDCFCIMFLFFS-UHFFFAOYSA-N 0 0 506.525 4.751 50 0 KJAARN CC(=O)Oc1cccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4cccc(OC(C)=O)c4)C5=O)cc3C2=O)c1 ZINC000000894470 551563740 /nfs/dbraw/zinc/56/37/40/551563740.db2.gz KXEKXDGKUIUWQG-UHFFFAOYSA-N 0 0 560.518 4.805 50 0 KJAARN Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)c3N2)cc1 ZINC000000900658 551564710 /nfs/dbraw/zinc/56/47/10/551564710.db2.gz JJNCOJAKUWBDLX-YADHBBJMSA-N 0 0 515.586 4.591 50 0 KJAARN Cc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)c3N2)cc1 ZINC000000900662 551564693 /nfs/dbraw/zinc/56/46/93/551564693.db2.gz JJNCOJAKUWBDLX-VXKWHMMOSA-N 0 0 515.586 4.591 50 0 KJAARN Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)c3N2)cc1 ZINC000000900666 551564744 /nfs/dbraw/zinc/56/47/44/551564744.db2.gz JJNCOJAKUWBDLX-FGZHOGPDSA-N 0 0 515.586 4.591 50 0 KJAARN Cc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)c3N2)cc1 ZINC000000900668 551564748 /nfs/dbraw/zinc/56/47/48/551564748.db2.gz JJNCOJAKUWBDLX-FCHUYYIVSA-N 0 0 515.586 4.591 50 0 KJAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000000901139 551564953 /nfs/dbraw/zinc/56/49/53/551564953.db2.gz CSFBCWWLFGVYKY-INIZCTEOSA-N 0 0 516.545 4.754 50 0 KJAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000000901144 551564977 /nfs/dbraw/zinc/56/49/77/551564977.db2.gz CSFBCWWLFGVYKY-MRXNPFEDSA-N 0 0 516.545 4.754 50 0 KJAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000901156 551564979 /nfs/dbraw/zinc/56/49/79/551564979.db2.gz FBWQFFKWBPADOH-AWEZNQCLSA-N 0 0 510.563 4.580 50 0 KJAARN COc1ccc(CCn2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc3ccccc3c2=O)cc1OC ZINC000000905637 551567217 /nfs/dbraw/zinc/56/72/17/551567217.db2.gz HVDFQVAYRLBOHZ-UHFFFAOYSA-N 0 0 517.607 4.590 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2ccc(C)cc2)cc1OC ZINC000000912940 551570454 /nfs/dbraw/zinc/57/04/54/551570454.db2.gz XEWKFIRHPZHEGN-UHFFFAOYSA-N 0 0 519.417 4.609 50 0 KJAARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2-c2ccccc2)cc1 ZINC000000925177 551578703 /nfs/dbraw/zinc/57/87/03/551578703.db2.gz DCWZOTNHKLVDMX-UHFFFAOYSA-N 0 0 506.584 4.603 50 0 KJAARN COc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000000925245 551578670 /nfs/dbraw/zinc/57/86/70/551578670.db2.gz MXWIBNSLEWCZTD-UHFFFAOYSA-N 0 0 523.590 4.775 50 0 KJAARN COc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3OC)n2-c2ccc(OC)cc2)cc1 ZINC000000925395 551578681 /nfs/dbraw/zinc/57/86/81/551578681.db2.gz JJRJIUUPOHPQOF-UHFFFAOYSA-N 0 0 505.600 4.636 50 0 KJAARN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000000931940 551584648 /nfs/dbraw/zinc/58/46/48/551584648.db2.gz BLGYAHLLNSFIGL-LJAQVGFWSA-N 0 0 523.568 4.670 50 0 KJAARN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000000931941 551584613 /nfs/dbraw/zinc/58/46/13/551584613.db2.gz BLGYAHLLNSFIGL-GDLZYMKVSA-N 0 0 523.568 4.670 50 0 KJAARN CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000000931944 551584610 /nfs/dbraw/zinc/58/46/10/551584610.db2.gz QPHYTKPSTABSMB-PMERELPUSA-N 0 0 535.579 4.864 50 0 KJAARN CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000000931945 551584668 /nfs/dbraw/zinc/58/46/68/551584668.db2.gz QPHYTKPSTABSMB-SSEXGKCCSA-N 0 0 535.579 4.864 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000000931948 551584625 /nfs/dbraw/zinc/58/46/25/551584625.db2.gz SMGXHFAIZRIQHH-GDLZYMKVSA-N 0 0 507.569 4.657 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000000931949 551584650 /nfs/dbraw/zinc/58/46/50/551584650.db2.gz SMGXHFAIZRIQHH-LJAQVGFWSA-N 0 0 507.569 4.657 50 0 KJAARN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000000931960 551584929 /nfs/dbraw/zinc/58/49/29/551584929.db2.gz XRBNEYBEEGDZIZ-PMERELPUSA-N 0 0 535.604 4.539 50 0 KJAARN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000000931961 551584863 /nfs/dbraw/zinc/58/48/63/551584863.db2.gz XRBNEYBEEGDZIZ-SSEXGKCCSA-N 0 0 535.604 4.539 50 0 KJAARN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)cc1 ZINC000000931962 551584904 /nfs/dbraw/zinc/58/49/04/551584904.db2.gz ZUTAHJJMRJBGDP-PMERELPUSA-N 0 0 535.604 4.539 50 0 KJAARN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)cc1 ZINC000000931963 551584948 /nfs/dbraw/zinc/58/49/48/551584948.db2.gz ZUTAHJJMRJBGDP-SSEXGKCCSA-N 0 0 535.604 4.539 50 0 KJAARN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000000931968 551584878 /nfs/dbraw/zinc/58/48/78/551584878.db2.gz VMHCNYJULULNTH-LJAQVGFWSA-N 0 0 523.568 4.670 50 0 KJAARN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000000931969 551584900 /nfs/dbraw/zinc/58/49/00/551584900.db2.gz VMHCNYJULULNTH-GDLZYMKVSA-N 0 0 523.568 4.670 50 0 KJAARN COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)c1 ZINC000000931972 551584834 /nfs/dbraw/zinc/58/48/34/551584834.db2.gz ZSHYRIHPYHLRHF-HKBQPEDESA-N 0 0 549.631 4.848 50 0 KJAARN COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)c1 ZINC000000931973 551584848 /nfs/dbraw/zinc/58/48/48/551584848.db2.gz ZSHYRIHPYHLRHF-WJOKGBTCSA-N 0 0 549.631 4.848 50 0 KJAARN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000000931974 551584926 /nfs/dbraw/zinc/58/49/26/551584926.db2.gz VWKKVQHUWWRDLJ-PMERELPUSA-N 0 0 533.588 4.559 50 0 KJAARN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)cc1 ZINC000000931975 551584854 /nfs/dbraw/zinc/58/48/54/551584854.db2.gz VWKKVQHUWWRDLJ-SSEXGKCCSA-N 0 0 533.588 4.559 50 0 KJAARN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000000931976 551584909 /nfs/dbraw/zinc/58/49/09/551584909.db2.gz HUXBEURSDRUQLZ-HKBQPEDESA-N 0 0 546.631 4.789 50 0 KJAARN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000000931977 551584883 /nfs/dbraw/zinc/58/48/83/551584883.db2.gz HUXBEURSDRUQLZ-WJOKGBTCSA-N 0 0 546.631 4.789 50 0 KJAARN COc1cccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(C)=O)c2)c1 ZINC000000931990 551584932 /nfs/dbraw/zinc/58/49/32/551584932.db2.gz XDQFCNXPZLMUQG-HKBQPEDESA-N 0 0 547.615 4.733 50 0 KJAARN COc1cccc([C@H](C(=O)NCc2ccccc2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C(C)=O)c2)c1 ZINC000000931991 551584938 /nfs/dbraw/zinc/58/49/38/551584938.db2.gz XDQFCNXPZLMUQG-WJOKGBTCSA-N 0 0 547.615 4.733 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)cc1 ZINC000000933272 551585593 /nfs/dbraw/zinc/58/55/93/551585593.db2.gz WXVNWAPVQCABGD-HYBUGGRVSA-N 0 0 538.732 4.504 50 0 KJAARN O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccccc2F)cc1 ZINC000000933309 551585586 /nfs/dbraw/zinc/58/55/86/551585586.db2.gz REZDEJMVQUCRTR-UHFFFAOYSA-N 0 0 520.623 4.577 50 0 KJAARN O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2Cl)cc1 ZINC000000933310 551585680 /nfs/dbraw/zinc/58/56/80/551585680.db2.gz AKRXAOMWADMVBF-UHFFFAOYSA-N 0 0 519.088 4.952 50 0 KJAARN COc1cc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc(OC)c1OC ZINC000000933314 551585574 /nfs/dbraw/zinc/58/55/74/551585574.db2.gz GFNANWOKEHDQFD-NLFFAJNJSA-N 0 0 580.769 4.703 50 0 KJAARN CCOc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000933336 551585621 /nfs/dbraw/zinc/58/56/21/551585621.db2.gz DYUPCUTUSKFGDT-UHFFFAOYSA-N 0 0 532.684 4.680 50 0 KJAARN C[C@H]1CCCC[C@@H]1N(Cc1ccccc1F)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000933660 551585982 /nfs/dbraw/zinc/58/59/82/551585982.db2.gz JOAFAYQDVNZLCR-CPJSRVTESA-N 0 0 508.681 4.770 50 0 KJAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000000933665 551586000 /nfs/dbraw/zinc/58/60/00/551586000.db2.gz OHXZGSRHBVRSMY-UHFFFAOYSA-N 0 0 520.623 4.531 50 0 KJAARN COc1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000000933670 551585984 /nfs/dbraw/zinc/58/59/84/551585984.db2.gz AXFZKLFIHWGYMI-UHFFFAOYSA-N 0 0 549.114 4.914 50 0 KJAARN CCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000000933679 551585986 /nfs/dbraw/zinc/58/59/86/551585986.db2.gz LATVWCORGDMQGO-UHFFFAOYSA-N 0 0 558.722 4.660 50 0 KJAARN CC(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000000934003 551586469 /nfs/dbraw/zinc/58/64/69/551586469.db2.gz ZPVMWYWUKMYPNZ-AREMUKBSSA-N 0 0 542.723 4.658 50 0 KJAARN CC(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000000934005 551586467 /nfs/dbraw/zinc/58/64/67/551586467.db2.gz ZPVMWYWUKMYPNZ-SANMLTNESA-N 0 0 542.723 4.658 50 0 KJAARN O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C2CCCC2)cc1 ZINC000000934012 551586457 /nfs/dbraw/zinc/58/64/57/551586457.db2.gz CWMNFAGFCBOHSI-UHFFFAOYSA-N 0 0 519.088 4.952 50 0 in-vitro KJAARN COc1ccc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC ZINC000000934023 551586431 /nfs/dbraw/zinc/58/64/31/551586431.db2.gz BHBTWJAKJNQUBM-CUNXSJBXSA-N 0 0 572.749 4.952 50 0 KJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccn2)cc1 ZINC000000934064 551586606 /nfs/dbraw/zinc/58/66/06/551586606.db2.gz IAWUZFHNDGVDHZ-UHFFFAOYSA-N 0 0 535.691 4.684 50 0 KJAARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000936102 551587061 /nfs/dbraw/zinc/58/70/61/551587061.db2.gz ALQJBLNVQRHCDY-UHFFFAOYSA-N 0 0 500.986 4.970 50 0 KJAARN Nc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000937017 551587059 /nfs/dbraw/zinc/58/70/59/551587059.db2.gz DJTVYIICHRZDFJ-UHFFFAOYSA-N 0 0 520.229 4.843 50 0 KJAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc3scc(-c4ccc(Cl)cc4)n13)CC2 ZINC000000937483 551587370 /nfs/dbraw/zinc/58/73/70/551587370.db2.gz DUWXSCCGEAZDBP-UHFFFAOYSA-N 0 0 501.033 4.805 50 0 KJAARN Cc1cc(I)ccc1NC(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000000938142 551587590 /nfs/dbraw/zinc/58/75/90/551587590.db2.gz HHRSTUBUIMMNMG-UHFFFAOYSA-N 0 0 500.123 4.705 50 0 KJAARN CCOc1ccc(N(C(=O)c2ccccc2OC)S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000000938805 551587594 /nfs/dbraw/zinc/58/75/94/551587594.db2.gz BHFFXVQVCCVGFU-UHFFFAOYSA-N 0 0 516.575 4.873 50 0 KJAARN CCOc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3CC)cc1 ZINC000000938806 551587562 /nfs/dbraw/zinc/58/75/62/551587562.db2.gz ZNUSMUZFNZRRFI-UHFFFAOYSA-N 0 0 501.564 4.649 50 0 KJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000000940595 551587600 /nfs/dbraw/zinc/58/76/00/551587600.db2.gz WAAUJOWXIDNLHY-XMMPIXPASA-N 0 0 502.962 4.842 50 0 KJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000000940596 551587577 /nfs/dbraw/zinc/58/75/77/551587577.db2.gz WAAUJOWXIDNLHY-DEOSSOPVSA-N 0 0 502.962 4.842 50 0 KJAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c(C)c1 ZINC000000941749 551587886 /nfs/dbraw/zinc/58/78/86/551587886.db2.gz NSJIISMRTBVCGL-UHFFFAOYSA-N 0 0 504.153 4.695 50 0 KJAARN Cc1cccc(NC(=O)COC(=O)CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1C ZINC000000941750 551587821 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O=C1C[C@H](N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000001066411 551601874 /nfs/dbraw/zinc/60/18/74/551601874.db2.gz RUAWAFHLEZCYFW-DEOSSOPVSA-N 0 0 540.408 4.766 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)[C@@H](C)Oc1c(F)c(F)cc(F)c1F ZINC000001066829 551602119 /nfs/dbraw/zinc/60/21/19/551602119.db2.gz OUINMWBEVVCOPF-LLVKDONJSA-N 0 0 504.502 4.678 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)[C@H](C)Oc1c(F)c(F)cc(F)c1F ZINC000001066830 551602193 /nfs/dbraw/zinc/60/21/93/551602193.db2.gz OUINMWBEVVCOPF-NSHDSACASA-N 0 0 504.502 4.678 50 0 KJAARN Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)ccc1Br ZINC000001066855 551602212 /nfs/dbraw/zinc/60/22/12/551602212.db2.gz QMWDCLWDIUJCQW-UHFFFAOYSA-N 0 0 580.526 4.580 50 0 KJAARN COc1ccc(CCNC(=O)CSc2ncnc3c4cc5c(nc4sc32)CC(C)(C)OC5)cc1OC ZINC000001067251 551602200 /nfs/dbraw/zinc/60/22/00/551602200.db2.gz YRMJNJJIEWMMLC-UHFFFAOYSA-N 0 0 524.668 4.559 50 0 KJAARN COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2ccn(Cc3ccc(C)cc3)n2)n1 ZINC000001067998 551602148 /nfs/dbraw/zinc/60/21/48/551602148.db2.gz PHESOAFTVFJBIQ-UHFFFAOYSA-N 0 0 573.597 4.917 50 0 KJAARN O=C(c1cc(-c2ccccn2)nc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000001068386 551602224 /nfs/dbraw/zinc/60/22/24/551602224.db2.gz MBIWIKMTLODXCD-UHFFFAOYSA-N 0 0 577.913 4.921 50 0 KJAARN Cc1ccccc1Cn1ccc(NC(=O)CCCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)n1 ZINC000001068669 551602128 /nfs/dbraw/zinc/60/21/28/551602128.db2.gz GENDDKLVXGZSTE-UHFFFAOYSA-N 0 0 549.600 4.970 50 0 KJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@H](C)O)OCO5)c3N2)cc1OC ZINC000001070657 551602897 /nfs/dbraw/zinc/60/28/97/551602897.db2.gz UNQLKEWKYSJNIF-OLZZKDKNSA-N 0 0 534.491 4.595 50 0 KJAARN CNC(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCc4ccccn4)c3)c3ccccc32)cc1 ZINC000001070662 551602937 /nfs/dbraw/zinc/60/29/37/551602937.db2.gz ZGAHLNLZYFYAJZ-UHFFFAOYSA-N 0 0 538.633 4.582 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)N3CCCc4ccccc43)n2)cc1OC ZINC000001071061 551602928 /nfs/dbraw/zinc/60/29/28/551602928.db2.gz VPBNNKNKJSYSDE-UHFFFAOYSA-N 0 0 549.571 4.713 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001072692 551602923 /nfs/dbraw/zinc/60/29/23/551602923.db2.gz DGMDMYIGHHVBNX-UHFFFAOYSA-N 0 0 507.381 4.821 50 0 KJAARN CCCC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000001072895 551603301 /nfs/dbraw/zinc/60/33/01/551603301.db2.gz GEPQHDIFKLTLBP-UHFFFAOYSA-N 0 0 501.370 4.564 50 0 KJAARN CCOc1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000001073238 551603290 /nfs/dbraw/zinc/60/32/90/551603290.db2.gz XEIAWFNUTRBZDY-UHFFFAOYSA-N 0 0 504.992 4.590 50 0 KJAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000001073467 551603154 /nfs/dbraw/zinc/60/31/54/551603154.db2.gz YPZNCDGGPFPZGS-UHFFFAOYSA-N 0 0 517.383 4.784 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(Br)c3)n2-c2ccccc2)cc1 ZINC000001074602 551603516 /nfs/dbraw/zinc/60/35/16/551603516.db2.gz KCLCEGURRJDSCQ-UHFFFAOYSA-N 0 0 552.454 4.699 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccccc1)Nc1cccc(Br)c1 ZINC000001074703 551603878 /nfs/dbraw/zinc/60/38/78/551603878.db2.gz HRQUOZUOTDNYFE-UHFFFAOYSA-N 0 0 540.418 4.830 50 0 KJAARN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Br ZINC000001074770 551603869 /nfs/dbraw/zinc/60/38/69/551603869.db2.gz FNYMXUPRAXYYII-CQSZACIVSA-N 0 0 503.422 4.535 50 0 KJAARN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Br ZINC000001074773 551603883 /nfs/dbraw/zinc/60/38/83/551603883.db2.gz FNYMXUPRAXYYII-AWEZNQCLSA-N 0 0 503.422 4.535 50 0 KJAARN Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000001074793 551603852 /nfs/dbraw/zinc/60/38/52/551603852.db2.gz RAHJKCNCLRIGQB-UHFFFAOYSA-N 0 0 529.247 4.545 50 0 KJAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)n1C ZINC000001075160 551604020 /nfs/dbraw/zinc/60/40/20/551604020.db2.gz HIZPQNFVQKIGDZ-UHFFFAOYSA-N 0 0 503.024 4.960 50 0 KJAARN CCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 ZINC000001075928 551604087 /nfs/dbraw/zinc/60/40/87/551604087.db2.gz WHLYZQZZTLFRLF-UHFFFAOYSA-N 0 0 516.641 4.658 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001076249 551604012 /nfs/dbraw/zinc/60/40/12/551604012.db2.gz BNTURALPIRFRCA-UHFFFAOYSA-N 0 0 521.042 4.666 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000001076433 551604343 /nfs/dbraw/zinc/60/43/43/551604343.db2.gz LARMMMKVFFKREQ-UHFFFAOYSA-N 0 0 566.705 4.582 50 0 KJAARN CCOc1ccc(Cn2c(SCc3cccc(C(F)(F)F)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000001076739 551604364 /nfs/dbraw/zinc/60/43/64/551604364.db2.gz YKQDHSZJCDRSAL-UHFFFAOYSA-N 0 0 548.587 4.591 50 0 KJAARN COc1cc(Br)cc2cc(C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c(=O)oc21 ZINC000001077406 551604877 /nfs/dbraw/zinc/60/48/77/551604877.db2.gz JYYBMOYBRNKRDH-UHFFFAOYSA-N 0 0 512.187 4.833 50 0 KJAARN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccccc1Cl ZINC000001077708 551604881 /nfs/dbraw/zinc/60/48/81/551604881.db2.gz XJJYTXBBDMRJSR-FQEVSTJZSA-N 0 0 531.396 4.808 50 0 KJAARN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccccc1Cl ZINC000001077711 551605145 /nfs/dbraw/zinc/60/51/45/551605145.db2.gz XJJYTXBBDMRJSR-HXUWFJFHSA-N 0 0 531.396 4.808 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000001077953 551605185 /nfs/dbraw/zinc/60/51/85/551605185.db2.gz HDCBNNNGXJRUCC-QFIPXVFZSA-N 0 0 566.035 4.777 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000001077956 551605198 /nfs/dbraw/zinc/60/51/98/551605198.db2.gz HDCBNNNGXJRUCC-JOCHJYFZSA-N 0 0 566.035 4.777 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000001077970 551605244 /nfs/dbraw/zinc/60/52/44/551605244.db2.gz HHNCWRJUKBFRDF-NRFANRHFSA-N 0 0 523.998 4.608 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000001077972 551605201 /nfs/dbraw/zinc/60/52/01/551605201.db2.gz HHNCWRJUKBFRDF-OAQYLSRUSA-N 0 0 523.998 4.608 50 0 KJAARN Cn1c(CNC(=O)c2ccc(Br)cc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001078066 551605247 /nfs/dbraw/zinc/60/52/47/551605247.db2.gz VODLFUBFKJKPON-UHFFFAOYSA-N 0 0 562.799 4.911 50 0 KJAARN CN(c1cccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O ZINC000001078563 551605528 /nfs/dbraw/zinc/60/55/28/551605528.db2.gz VAMDICBXGLMNKB-UHFFFAOYSA-N 0 0 565.673 4.709 50 0 KJAARN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(C)cc1 ZINC000001079189 551605531 /nfs/dbraw/zinc/60/55/31/551605531.db2.gz LCNJHOZKQCCGIH-UHFFFAOYSA-N 0 0 503.418 4.909 50 0 KJAARN COc1cccc(NC(=O)Cc2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)n2C)c1 ZINC000001079819 551605605 /nfs/dbraw/zinc/60/56/05/551605605.db2.gz HMFWIDDTJGIUKJ-UHFFFAOYSA-N 0 0 517.636 4.927 50 0 KJAARN CCn1c2ccc(S(=O)(=O)Nc3cccc([C@H]4OCC(C)(C)[C@@H](C(C)C)O4)c3)cc2n(CC)c1=O ZINC000001080146 551605563 /nfs/dbraw/zinc/60/55/63/551605563.db2.gz HAGXBWLRTMMNHR-RPWUZVMVSA-N 0 0 501.649 4.740 50 0 KJAARN CCn1c2ccc(S(=O)(=O)Nc3cccc([C@@H]4OCC(C)(C)[C@@H](C(C)C)O4)c3)cc2n(CC)c1=O ZINC000001080147 551605586 /nfs/dbraw/zinc/60/55/86/551605586.db2.gz HAGXBWLRTMMNHR-DNQXCXABSA-N 0 0 501.649 4.740 50 0 KJAARN CCn1c2ccc(S(=O)(=O)Nc3cccc([C@H]4OCC(C)(C)[C@H](C(C)C)O4)c3)cc2n(CC)c1=O ZINC000001080148 551605558 /nfs/dbraw/zinc/60/55/58/551605558.db2.gz HAGXBWLRTMMNHR-ZEQRLZLVSA-N 0 0 501.649 4.740 50 0 KJAARN CCn1c2ccc(S(=O)(=O)Nc3cccc([C@@H]4OCC(C)(C)[C@H](C(C)C)O4)c3)cc2n(CC)c1=O ZINC000001080149 551605547 /nfs/dbraw/zinc/60/55/47/551605547.db2.gz HAGXBWLRTMMNHR-BJKOFHAPSA-N 0 0 501.649 4.740 50 0 KJAARN COc1ccc2[nH]c(C)c(CCNC(=O)c3cc4nc(-c5ccc6c(c5)OCO6)cc(C(F)(F)F)n4n3)c2c1 ZINC000001083560 551606160 /nfs/dbraw/zinc/60/61/60/551606160.db2.gz YMLZTIJMLDKJMK-UHFFFAOYSA-N 0 0 537.498 4.915 50 0 KJAARN CCOc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OCC)c4ccccc43)CC2)c2ccccc12 ZINC000001087828 551606661 /nfs/dbraw/zinc/60/66/61/551606661.db2.gz CZAUQBMYZWDQER-UHFFFAOYSA-N 0 0 568.717 4.876 50 0 KJAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc4c(c2)OCCO4)sc2c3CCCC2)cc1 ZINC000001088236 551607019 /nfs/dbraw/zinc/60/70/19/551607019.db2.gz JDMKFAOQONOKFP-UHFFFAOYSA-N 0 0 535.647 4.837 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000001088876 551607011 /nfs/dbraw/zinc/60/70/11/551607011.db2.gz PKARSCMFIWEPDE-UHFFFAOYSA-N 0 0 524.396 4.666 50 0 KJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 ZINC000001088896 551606923 /nfs/dbraw/zinc/60/69/23/551606923.db2.gz NKIDURWGFSKPTI-UHFFFAOYSA-N 0 0 524.400 4.594 50 0 KJAARN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 ZINC000001093318 551607311 /nfs/dbraw/zinc/60/73/11/551607311.db2.gz JEWFDAIHTIAIEI-UHFFFAOYSA-N 0 0 501.811 4.704 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000001093787 551607238 /nfs/dbraw/zinc/60/72/38/551607238.db2.gz VXAODIJTQSUJRW-UHFFFAOYSA-N 0 0 532.493 4.842 50 0 KJAARN Cc1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(=O)n(-c2ccccc2)n1C ZINC000001093849 551607245 /nfs/dbraw/zinc/60/72/45/551607245.db2.gz DKKRLLDCIKTYJM-UHFFFAOYSA-N 0 0 557.701 4.855 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)Cc2c(Cl)cccc2Cl)cc1 ZINC000001094481 551607643 /nfs/dbraw/zinc/60/76/43/551607643.db2.gz QMYPZROWUMTJSG-UHFFFAOYSA-N 0 0 532.493 4.842 50 0 KJAARN COc1cccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001096179 551607613 /nfs/dbraw/zinc/60/76/13/551607613.db2.gz CMPNFUNCHXSXMS-UHFFFAOYSA-N 0 0 503.418 4.909 50 0 KJAARN COc1ccccc1CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001096264 551607606 /nfs/dbraw/zinc/60/76/06/551607606.db2.gz QKTQZAQSKANVRK-UHFFFAOYSA-N 0 0 512.937 4.879 50 0 KJAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(=O)(=O)c1ccccc1 ZINC000001096331 551607911 /nfs/dbraw/zinc/60/79/11/551607911.db2.gz KAEIDWFBOHUQPV-UHFFFAOYSA-N 0 0 500.020 4.621 50 0 KJAARN CCOc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000001098393 551608242 /nfs/dbraw/zinc/60/82/42/551608242.db2.gz WKQKWJHQQKNGHJ-UHFFFAOYSA-N 0 0 529.456 4.628 50 0 KJAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000001098529 551608251 /nfs/dbraw/zinc/60/82/51/551608251.db2.gz UFLZJTVOSCFADZ-HNNXBMFYSA-N 0 0 542.466 4.587 50 0 KJAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000001098530 551608244 /nfs/dbraw/zinc/60/82/44/551608244.db2.gz UFLZJTVOSCFADZ-OAHLLOKOSA-N 0 0 542.466 4.587 50 0 KJAARN COC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001099432 551608646 /nfs/dbraw/zinc/60/86/46/551608646.db2.gz YCQTYXPWGWWQDW-UHFFFAOYSA-N 0 0 501.004 4.886 50 0 KJAARN COc1ccc(/C=C/C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2cccc(Br)c2)cc1 ZINC000001100648 551608626 /nfs/dbraw/zinc/60/86/26/551608626.db2.gz LAZMFZORZPNDKA-RBNVVWFDSA-N 0 0 520.383 4.854 50 0 KJAARN COc1ccc(/C=C/C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2cccc(Br)c2)cc1 ZINC000001100650 551608615 /nfs/dbraw/zinc/60/86/15/551608615.db2.gz LAZMFZORZPNDKA-UDFXALJUSA-N 0 0 520.383 4.854 50 0 KJAARN COc1ccc2c(c1)c(CC(=O)N1CCN(C(=O)c3ccccc3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000001102709 551608894 /nfs/dbraw/zinc/60/88/94/551608894.db2.gz HCJZFFIWRCBJKQ-UHFFFAOYSA-N 0 0 530.024 4.827 50 0 biogenic,in-vitro KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000001102735 551609154 /nfs/dbraw/zinc/60/91/54/551609154.db2.gz MIRXUHQEZYKQIZ-QFIPXVFZSA-N 0 0 508.372 4.844 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000001102736 551609087 /nfs/dbraw/zinc/60/90/87/551609087.db2.gz MIRXUHQEZYKQIZ-JOCHJYFZSA-N 0 0 508.372 4.844 50 0 KJAARN O=C(CN1C(=O)S/C(=C\c2cccc(OCc3ccccc3F)c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000001102747 551609135 /nfs/dbraw/zinc/60/91/35/551609135.db2.gz BLJSETNCPZKLMQ-CFRMEGHHSA-N 0 0 520.538 4.851 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)c2cccc(Br)c2)cc1 ZINC000001103053 551609171 /nfs/dbraw/zinc/60/91/71/551609171.db2.gz RGYZYIRTQHCGQK-UHFFFAOYSA-N 0 0 507.837 4.923 50 0 KJAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000001103968 551609523 /nfs/dbraw/zinc/60/95/23/551609523.db2.gz WOTQCGLSBHFPAF-UHFFFAOYSA-N 0 0 503.020 4.538 50 0 KJAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(CNS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc1)CC2 ZINC000001104235 551609435 /nfs/dbraw/zinc/60/94/35/551609435.db2.gz KKRROZIMLOFAGA-UHFFFAOYSA-N 0 0 522.667 4.614 50 0 KJAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001105154 551609466 /nfs/dbraw/zinc/60/94/66/551609466.db2.gz LWRGWZVWQQMRLB-UHFFFAOYSA-N 0 0 571.526 4.716 50 0 KJAARN CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000001105464 551609956 /nfs/dbraw/zinc/60/99/56/551609956.db2.gz KDYPIGJTVIJGAO-UHFFFAOYSA-N 0 0 509.429 4.945 50 0 KJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)Nc1ccc2c[nH]nc2c1 ZINC000001105466 551609841 /nfs/dbraw/zinc/60/98/41/551609841.db2.gz LKEJPVTYVKHQNS-UHFFFAOYSA-N 0 0 506.389 4.699 50 0 KJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)Nc1ccc2c[nH]nc2c1 ZINC000001105468 551609902 /nfs/dbraw/zinc/60/99/02/551609902.db2.gz HOYPMEIQUHHNJB-UHFFFAOYSA-N 0 0 506.389 4.699 50 0 KJAARN CC(C)c1cc(I)ccc1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1 ZINC000001107594 551610496 /nfs/dbraw/zinc/61/04/96/551610496.db2.gz AAXHZQXFZZFAFE-UHFFFAOYSA-N 0 0 577.492 4.558 50 0 KJAARN Cc1oc2cc(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000001108145 551610551 /nfs/dbraw/zinc/61/05/51/551610551.db2.gz XJOMQUYQLCFICZ-QGZVFWFLSA-N 0 0 515.518 4.760 50 0 KJAARN Cc1oc2cc(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000001108146 551610503 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COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3Br)cc2)cc1OC ZINC000001111030 551611407 /nfs/dbraw/zinc/61/14/07/551611407.db2.gz JRWYAGRUELVCTD-UHFFFAOYSA-N 0 0 505.390 4.544 50 0 KJAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000001111312 551611360 /nfs/dbraw/zinc/61/13/60/551611360.db2.gz NRROSIJJBWIICB-UHFFFAOYSA-N 0 0 508.991 4.681 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc(I)c1 ZINC000001111319 551611318 /nfs/dbraw/zinc/61/13/18/551611318.db2.gz FPDKWTJWXFPJBR-UHFFFAOYSA-N 0 0 517.392 4.567 50 0 KJAARN O=C(NC[C@H]1CCCO1)c1cc(I)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001111382 551611625 /nfs/dbraw/zinc/61/16/25/551611625.db2.gz NWFZCUALZSVTNS-CYBMUJFWSA-N 0 0 519.166 4.759 50 0 KJAARN O=C(NC[C@@H]1CCCO1)c1cc(I)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001111383 551611557 /nfs/dbraw/zinc/61/15/57/551611557.db2.gz NWFZCUALZSVTNS-ZDUSSCGKSA-N 0 0 519.166 4.759 50 0 KJAARN CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000001111408 551611645 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Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(CNC(=O)c2ccccc2Cl)n1C ZINC000001115201 551611946 /nfs/dbraw/zinc/61/19/46/551611946.db2.gz XWMWOFUTMXYWBD-UHFFFAOYSA-N 0 0 522.856 4.509 50 0 KJAARN COc1ccc(OC)c(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000001118238 551612337 /nfs/dbraw/zinc/61/23/37/551612337.db2.gz ZPIHNYNGQGKSRY-UHFFFAOYSA-N 0 0 554.543 4.574 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001118398 551612508 /nfs/dbraw/zinc/61/25/08/551612508.db2.gz VPIOPWQQXOMZST-UHFFFAOYSA-N 0 0 590.045 4.897 50 0 KJAARN CSc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2-c2ccccc2)c1 ZINC000001118829 551612501 /nfs/dbraw/zinc/61/25/01/551612501.db2.gz DUUBWLFKSKNHIV-UHFFFAOYSA-N 0 0 507.616 4.789 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000001118944 551612462 /nfs/dbraw/zinc/61/24/62/551612462.db2.gz ZWAMZERCSQAVBP-UHFFFAOYSA-N 0 0 550.102 4.589 50 0 KJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000001119006 551612429 /nfs/dbraw/zinc/61/24/29/551612429.db2.gz DCWLBHUKBYESMO-UHFFFAOYSA-N 0 0 553.990 4.736 50 0 KJAARN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000001119364 551612487 /nfs/dbraw/zinc/61/24/87/551612487.db2.gz IGSPHFQVNUUYOO-MRXNPFEDSA-N 0 0 516.465 4.899 50 0 KJAARN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000001119366 551612472 /nfs/dbraw/zinc/61/24/72/551612472.db2.gz IGSPHFQVNUUYOO-INIZCTEOSA-N 0 0 516.465 4.899 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000001119416 551612807 /nfs/dbraw/zinc/61/28/07/551612807.db2.gz OLDMJPPBJQASDX-UHFFFAOYSA-N 0 0 512.628 4.862 50 0 KJAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC000001119418 551612800 /nfs/dbraw/zinc/61/28/00/551612800.db2.gz XCXYZJFGDHHTGJ-SFHVURJKSA-N 0 0 500.020 4.544 50 0 KJAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000001119420 551612794 /nfs/dbraw/zinc/61/27/94/551612794.db2.gz XCXYZJFGDHHTGJ-GOSISDBHSA-N 0 0 500.020 4.544 50 0 KJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000001119460 551612806 /nfs/dbraw/zinc/61/28/06/551612806.db2.gz AXWADDBVJAKZBC-UHFFFAOYSA-N 0 0 508.385 4.521 50 0 KJAARN CN(c1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O ZINC000001119520 551612777 /nfs/dbraw/zinc/61/27/77/551612777.db2.gz VLTRKBCXYVUOOM-UHFFFAOYSA-N 0 0 549.674 4.730 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000001119733 551612787 /nfs/dbraw/zinc/61/27/87/551612787.db2.gz PGOLDSUUVUMWOV-UHFFFAOYSA-N 0 0 513.641 4.600 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000001119995 551612783 /nfs/dbraw/zinc/61/27/83/551612783.db2.gz OGFAOLUWXNBXFK-UHFFFAOYSA-N 0 0 541.695 4.637 50 0 KJAARN COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000001120577 551613001 /nfs/dbraw/zinc/61/30/01/551613001.db2.gz KTXJHNQXSCRTMV-UHFFFAOYSA-N 0 0 508.003 4.590 50 0 KJAARN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000001121881 551613048 /nfs/dbraw/zinc/61/30/48/551613048.db2.gz WJQBAXUVFKQFEZ-UHFFFAOYSA-N 0 0 500.020 4.697 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 ZINC000001122311 551613289 /nfs/dbraw/zinc/61/32/89/551613289.db2.gz IXADKDLDWDSSHI-UHFFFAOYSA-N 0 0 524.400 4.609 50 0 KJAARN Cn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001122324 551613329 /nfs/dbraw/zinc/61/33/29/551613329.db2.gz RSZUUTUTONRKAS-UHFFFAOYSA-N 0 0 518.348 4.802 50 0 KJAARN COc1nnc(-c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c2ccccc21 ZINC000001122338 551613311 /nfs/dbraw/zinc/61/33/11/551613311.db2.gz ILWJNMUUFMBEHU-UHFFFAOYSA-N 0 0 511.003 4.596 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)c(OC)c1 ZINC000001122491 551613332 /nfs/dbraw/zinc/61/33/32/551613332.db2.gz 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CCOc1ccccc1N1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(c3ccccc3OCC)C4=O)cc2C1=O ZINC000001207464 551624800 /nfs/dbraw/zinc/62/48/00/551624800.db2.gz SNCATXKYYWKNMV-UHFFFAOYSA-N 0 0 596.617 4.918 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001207576 551624830 /nfs/dbraw/zinc/62/48/30/551624830.db2.gz JEYWTGHLWFOGMX-UHFFFAOYSA-N 0 0 517.003 4.749 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001207671 551624809 /nfs/dbraw/zinc/62/48/09/551624809.db2.gz BSAOYCRXBPHNFY-UHFFFAOYSA-N 0 0 504.992 4.590 50 0 KJAARN CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000001208036 551625179 /nfs/dbraw/zinc/62/51/79/551625179.db2.gz OZTHOPWIPXSHMG-UHFFFAOYSA-N 0 0 503.418 4.677 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001208162 551625151 /nfs/dbraw/zinc/62/51/51/551625151.db2.gz XKZIDBKYIRDJFY-UHFFFAOYSA-N 0 0 519.417 4.609 50 0 KJAARN CCOc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000001208172 551625147 /nfs/dbraw/zinc/62/51/47/551625147.db2.gz VWFMYQDACXDAPX-UHFFFAOYSA-N 0 0 517.445 4.720 50 0 KJAARN COC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000001208522 551625177 /nfs/dbraw/zinc/62/51/77/551625177.db2.gz SMSJJJVWYRIUQB-UHFFFAOYSA-N 0 0 526.920 4.979 50 0 KJAARN COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)Nc5ccc(C(=O)OC)cc5)cc4C3=O)cc2)cc1 ZINC000001208961 551625182 /nfs/dbraw/zinc/62/51/82/551625182.db2.gz IWTWOTOSWLHLHZ-UHFFFAOYSA-N 0 0 577.549 4.565 50 0 KJAARN CC(=O)Oc1cc(Cc2ccc(N3C(=O)c4ccccc4C3=O)c(OC(C)=O)c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000001209285 1067157225 /nfs/dbraw/zinc/15/72/25/1067157225.db2.gz RCEPTCPUIMENMQ-UHFFFAOYSA-N 0 0 574.545 4.729 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)c2ccc(F)cc2)cc1 ZINC000001209518 551625185 /nfs/dbraw/zinc/62/51/85/551625185.db2.gz YGDYULJDLAYMFH-UHFFFAOYSA-N 0 0 524.355 4.573 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000001209613 551625169 /nfs/dbraw/zinc/62/51/69/551625169.db2.gz ZAXABUSVRBBXGS-UHFFFAOYSA-N 0 0 519.417 4.609 50 0 KJAARN COc1ccc(NC(=O)c2cnn3c2nc(-c2ccc(OC)c(OC)c2)cc3C(F)(F)F)cc1OC ZINC000001209673 551625171 /nfs/dbraw/zinc/62/51/71/551625171.db2.gz KNECNFLLPOJRFI-UHFFFAOYSA-N 0 0 502.449 4.702 50 0 KJAARN COc1ccc([C@H](NC(=O)/C=C/c2ccco2)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000001211441 551625314 /nfs/dbraw/zinc/62/53/14/551625314.db2.gz OSDFSCCKYKKYHA-DRBUTMMVSA-N 0 0 502.361 4.996 50 0 KJAARN COc1ccc([C@@H](NC(=O)/C=C/c2ccco2)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000001211445 551625391 /nfs/dbraw/zinc/62/53/91/551625391.db2.gz OSDFSCCKYKKYHA-PVOYRIJTSA-N 0 0 502.361 4.996 50 0 KJAARN COC(=O)c1cccc(NC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccccc2Br)c1 ZINC000001212781 1067157141 /nfs/dbraw/zinc/15/71/41/1067157141.db2.gz OEOQEXDOVGOXQL-HYARGMPZSA-N 0 0 509.356 4.654 50 0 KJAARN Cc1c(NC(=O)c2cccc3c2C(=O)c2cc(I)ccc2-3)c(=O)n(-c2ccccc2)n1C ZINC000001215566 551626543 /nfs/dbraw/zinc/62/65/43/551626543.db2.gz AGAQFBLUUQVLIK-UHFFFAOYSA-N 0 0 535.341 4.553 50 0 KJAARN CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccccc4I)C3=O)sc2c1 ZINC000001218599 551627137 /nfs/dbraw/zinc/62/71/37/551627137.db2.gz UOLIFTNJVLVXAO-INIZCTEOSA-N 0 0 510.378 4.724 50 0 KJAARN COc1ccc(OC)c(NC(=S)N[C@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)c1 ZINC000001218813 551626995 /nfs/dbraw/zinc/62/69/95/551626995.db2.gz ADPCNWMQPFMZDA-INIZCTEOSA-N 0 0 541.682 4.879 50 0 KJAARN COc1ccc(OC)c(NC(=S)N[C@@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)c1 ZINC000001218814 551627132 /nfs/dbraw/zinc/62/71/32/551627132.db2.gz ADPCNWMQPFMZDA-MRXNPFEDSA-N 0 0 541.682 4.879 50 0 KJAARN COc1cc(C(=O)N[C@@H](NC(=S)Nc2ccccc2Br)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000001218829 551627431 /nfs/dbraw/zinc/62/74/31/551627431.db2.gz GFSRQGIMXLGKHN-KRWDZBQOSA-N 0 0 571.708 4.888 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000001218833 551627422 /nfs/dbraw/zinc/62/74/22/551627422.db2.gz WAUKPQHMYUVSLL-QGZVFWFLSA-N 0 0 509.242 4.929 50 0 KJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CC(C)(C)OC3 ZINC000001219096 551627430 /nfs/dbraw/zinc/62/74/30/551627430.db2.gz VMRBQFAGMAJMJW-UHFFFAOYSA-N 0 0 509.447 4.716 50 0 KJAARN COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000001219162 551627405 /nfs/dbraw/zinc/62/74/05/551627405.db2.gz GZYWMTKNAPEJLC-UHFFFAOYSA-N 0 0 519.417 4.609 50 0 KJAARN CCc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000001219338 551627432 /nfs/dbraw/zinc/62/74/32/551627432.db2.gz YTVJCPACNSNKTN-UHFFFAOYSA-N 0 0 501.446 4.884 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1Br ZINC000001219342 551627428 /nfs/dbraw/zinc/62/74/28/551627428.db2.gz KIBROGDLNPMBGI-UHFFFAOYSA-N 0 0 503.418 4.909 50 0 KJAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000001219450 551627421 /nfs/dbraw/zinc/62/74/21/551627421.db2.gz XOLSCILZRYEDTM-UHFFFAOYSA-N 0 0 549.443 4.617 50 0 KJAARN COc1ccc(OC)c(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001219463 551627425 /nfs/dbraw/zinc/62/74/25/551627425.db2.gz NRTGXJASBHVUAE-UHFFFAOYSA-N 0 0 508.518 4.865 50 0 KJAARN CCOC(=O)C1=C(C)N=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2[C@H]1c1ccc(OC)cc1 ZINC000001220147 551627636 /nfs/dbraw/zinc/62/76/36/551627636.db2.gz HQOBZYOPKFTLLE-CTNGQTDRSA-N 0 0 515.429 4.892 50 0 KJAARN CCOC(=O)C1=C(C)N=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(OC)cc1 ZINC000001220148 551627579 /nfs/dbraw/zinc/62/75/79/551627579.db2.gz HQOBZYOPKFTLLE-TZIWHRDSSA-N 0 0 515.429 4.892 50 0 KJAARN CCOC(=O)C1=C(C)N=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2[C@H]1c1ccc(OC)cc1 ZINC000001220149 551627575 /nfs/dbraw/zinc/62/75/75/551627575.db2.gz HQOBZYOPKFTLLE-FPOVZHCZSA-N 0 0 515.429 4.892 50 0 KJAARN CCOC(=O)C1=C(C)N=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(OC)cc1 ZINC000001220150 551627612 /nfs/dbraw/zinc/62/76/12/551627612.db2.gz HQOBZYOPKFTLLE-PZJWPPBQSA-N 0 0 515.429 4.892 50 0 KJAARN COC(=O)C1=C(C)N=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(OC)cc1 ZINC000001220193 551627669 /nfs/dbraw/zinc/62/76/69/551627669.db2.gz ZVCGPVFUTISBHM-UYAOXDASSA-N 0 0 501.402 4.502 50 0 KJAARN COC(=O)C1=C(C)N=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(OC)cc1 ZINC000001220194 551627619 /nfs/dbraw/zinc/62/76/19/551627619.db2.gz ZVCGPVFUTISBHM-AZUAARDMSA-N 0 0 501.402 4.502 50 0 KJAARN COC(=O)C1=C(C)N=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2[C@H]1c1ccc(OC)cc1 ZINC000001220195 551627655 /nfs/dbraw/zinc/62/76/55/551627655.db2.gz ZVCGPVFUTISBHM-QUCCMNQESA-N 0 0 501.402 4.502 50 0 KJAARN COC(=O)C1=C(C)N=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2[C@H]1c1ccc(OC)cc1 ZINC000001220196 551627615 /nfs/dbraw/zinc/62/76/15/551627615.db2.gz ZVCGPVFUTISBHM-ICSRJNTNSA-N 0 0 501.402 4.502 50 0 KJAARN COc1ccc(C)cc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001220281 551627587 /nfs/dbraw/zinc/62/75/87/551627587.db2.gz GPWORUDTHCGDIJ-UHFFFAOYSA-N 0 0 503.418 4.909 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cc(Cl)ccc2OC)cc1OC ZINC000001220311 551627631 /nfs/dbraw/zinc/62/76/31/551627631.db2.gz QKESQELEOSEHKY-UHFFFAOYSA-N 0 0 519.019 4.817 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(I)cc2)c2ccccc2C)cc1 ZINC000001220366 551627626 /nfs/dbraw/zinc/62/76/26/551627626.db2.gz AEDARIVVQJORDC-UHFFFAOYSA-N 0 0 520.392 4.742 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c(OC)c1 ZINC000001222329 551628075 /nfs/dbraw/zinc/62/80/75/551628075.db2.gz QOAUBPBRFITHCN-UHFFFAOYSA-N 0 0 506.584 4.700 50 0 KJAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c1 ZINC000001224394 551628685 /nfs/dbraw/zinc/62/86/85/551628685.db2.gz HYBJJPZFCDPPNL-UHFFFAOYSA-N 0 0 506.584 4.700 50 0 KJAARN COc1cccc(OC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)Oc4cccc(OC)c4)cc3)cc2)c1 ZINC000001227196 1067157262 /nfs/dbraw/zinc/15/72/62/1067157262.db2.gz CMUFDBVPWQEOHR-UHFFFAOYSA-N 0 0 518.543 4.975 50 0 KJAARN CCCS(=O)(=O)c1c2ccc(C(C)=O)cn2c(C(=O)c2ccc(Br)cc2)c1S(=O)(=O)CCC ZINC000001228847 551629210 /nfs/dbraw/zinc/62/92/10/551629210.db2.gz COERYNWWVMYQEI-UHFFFAOYSA-N 0 0 554.484 4.503 50 0 KJAARN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)N([C@@H]1CC(=O)N(c3ccccc3)C1=O)CC2 ZINC000001229032 551629155 /nfs/dbraw/zinc/62/91/55/551629155.db2.gz CHFZDZFEGRNZCK-GJZUVCINSA-N 0 0 521.411 4.746 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c(C(=O)OCC)c1C ZINC000001231001 551629175 /nfs/dbraw/zinc/62/91/75/551629175.db2.gz MNIKWGRGPRFPAN-UHFFFAOYSA-N 0 0 508.346 4.531 50 0 KJAARN COC(=O)CN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](n2oc(=O)n(-c3ccc(Cl)c(Cl)c3)c2=O)C1(C)C ZINC000001231964 551629147 /nfs/dbraw/zinc/62/91/47/551629147.db2.gz AYQQPHQOFXLAPO-GOSISDBHSA-N 0 0 576.220 4.598 50 0 KJAARN COC(=O)CN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](n2oc(=O)n(-c3ccc(Cl)c(Cl)c3)c2=O)C1(C)C ZINC000001231965 551629151 /nfs/dbraw/zinc/62/91/51/551629151.db2.gz AYQQPHQOFXLAPO-SFHVURJKSA-N 0 0 576.220 4.598 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(S(=O)(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000001232071 1067157214 /nfs/dbraw/zinc/15/72/14/1067157214.db2.gz XCXFPPYCUZPJFJ-UHFFFAOYSA-N 0 0 584.741 4.786 50 0 KJAARN Cc1c(N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000001232302 551629191 /nfs/dbraw/zinc/62/91/91/551629191.db2.gz RVSRNNWWDHEEHT-LJQANCHMSA-N 0 0 532.653 4.785 50 0 KJAARN Cc1c(N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000001232303 551629207 /nfs/dbraw/zinc/62/92/07/551629207.db2.gz RVSRNNWWDHEEHT-IBGZPJMESA-N 0 0 532.653 4.785 50 0 KJAARN COc1ccccc1O[C@@H](NC(=O)c1ccc(C)cc1)C(Br)(Br)Br ZINC000001232312 551629182 /nfs/dbraw/zinc/62/91/82/551629182.db2.gz PRQGYURUJICDIJ-MRXNPFEDSA-N 0 0 522.031 4.977 50 0 KJAARN COc1ccccc1O[C@H](NC(=O)c1ccc(C)cc1)C(Br)(Br)Br ZINC000001232313 551629122 /nfs/dbraw/zinc/62/91/22/551629122.db2.gz PRQGYURUJICDIJ-INIZCTEOSA-N 0 0 522.031 4.977 50 0 KJAARN COc1ccc(O[C@@H](NC(=O)c2ccc(C)cc2)C(Br)(Br)Br)cc1 ZINC000001232314 551629462 /nfs/dbraw/zinc/62/94/62/551629462.db2.gz LBPBRQCBPCDVSR-MRXNPFEDSA-N 0 0 522.031 4.977 50 0 biogenic KJAARN COc1ccc(O[C@H](NC(=O)c2ccc(C)cc2)C(Br)(Br)Br)cc1 ZINC000001232315 551629444 /nfs/dbraw/zinc/62/94/44/551629444.db2.gz LBPBRQCBPCDVSR-INIZCTEOSA-N 0 0 522.031 4.977 50 0 biogenic KJAARN COC(=O)c1cccc(O[C@@H](NC(=O)c2ccc(C)cc2)C(Br)(Br)Br)c1 ZINC000001232316 551629458 /nfs/dbraw/zinc/62/94/58/551629458.db2.gz LYTFNUYAKBSKKJ-QGZVFWFLSA-N 0 0 550.041 4.755 50 0 KJAARN COC(=O)c1cccc(O[C@H](NC(=O)c2ccc(C)cc2)C(Br)(Br)Br)c1 ZINC000001232317 551629434 /nfs/dbraw/zinc/62/94/34/551629434.db2.gz LYTFNUYAKBSKKJ-KRWDZBQOSA-N 0 0 550.041 4.755 50 0 KJAARN COc1cccc(NC(=S)N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 ZINC000001232492 551629453 /nfs/dbraw/zinc/62/94/53/551629453.db2.gz OOQXNJMEZDQLIY-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN COc1cccc(NC(=S)N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 ZINC000001232493 551629436 /nfs/dbraw/zinc/62/94/36/551629436.db2.gz OOQXNJMEZDQLIY-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)cc1 ZINC000001232500 551629465 /nfs/dbraw/zinc/62/94/65/551629465.db2.gz DKJFIDYDODCNCL-INIZCTEOSA-N 0 0 538.682 4.820 50 0 KJAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)cc1 ZINC000001232501 551629468 /nfs/dbraw/zinc/62/94/68/551629468.db2.gz DKJFIDYDODCNCL-MRXNPFEDSA-N 0 0 538.682 4.820 50 0 KJAARN COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)Cc2cccc3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC000001232978 551629452 /nfs/dbraw/zinc/62/94/52/551629452.db2.gz CZHXUMMIQCROOK-NRFANRHFSA-N 0 0 524.857 4.968 50 0 KJAARN COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)Cc2cccc3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC000001232979 551629454 /nfs/dbraw/zinc/62/94/54/551629454.db2.gz CZHXUMMIQCROOK-OAQYLSRUSA-N 0 0 524.857 4.968 50 0 KJAARN COc1ccc(CC(=O)N[C@@H](NC(=S)Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)cc1OC ZINC000001232996 1067157231 /nfs/dbraw/zinc/15/72/31/1067157231.db2.gz DEILRAQMJJDMLD-IBGZPJMESA-N 0 0 504.867 4.662 50 0 KJAARN COc1ccc(CC(=O)N[C@H](NC(=S)Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)cc1OC ZINC000001232997 1067157073 /nfs/dbraw/zinc/15/70/73/1067157073.db2.gz DEILRAQMJJDMLD-LJQANCHMSA-N 0 0 504.867 4.662 50 0 KJAARN COc1ccc(CC(=O)N[C@H](NC(=S)Nc2ccccc2Cl)C(Cl)(Cl)Cl)cc1OC ZINC000001233002 1067157236 /nfs/dbraw/zinc/15/72/36/1067157236.db2.gz KMFYHURMFCYXNY-QGZVFWFLSA-N 0 0 511.258 4.699 50 0 KJAARN COc1ccc(CC(=O)N[C@@H](NC(=S)Nc2ccccc2Cl)C(Cl)(Cl)Cl)cc1OC ZINC000001233003 1067157118 /nfs/dbraw/zinc/15/71/18/1067157118.db2.gz KMFYHURMFCYXNY-KRWDZBQOSA-N 0 0 511.258 4.699 50 0 KJAARN COc1ccc(CC(=O)N[C@@H](NC(=S)Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000001233007 1067157082 /nfs/dbraw/zinc/15/70/82/1067157082.db2.gz KVHSCPNCAZQGKG-KRWDZBQOSA-N 0 0 555.709 4.808 50 0 KJAARN COc1ccc(CC(=O)N[C@H](NC(=S)Nc2cccc(Br)c2)C(Cl)(Cl)Cl)cc1OC ZINC000001233008 1067157241 /nfs/dbraw/zinc/15/72/41/1067157241.db2.gz NRIZNZYSZPFHOC-QGZVFWFLSA-N 0 0 555.709 4.808 50 0 KJAARN COc1ccc(CC(=O)N[C@@H](NC(=S)Nc2cccc(Br)c2)C(Cl)(Cl)Cl)cc1OC ZINC000001233009 1067157113 /nfs/dbraw/zinc/15/71/13/1067157113.db2.gz NRIZNZYSZPFHOC-KRWDZBQOSA-N 0 0 555.709 4.808 50 0 KJAARN CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C(C)=O)cc4)C5=O)cc3C2=O)cc1 ZINC000001233029 551629654 /nfs/dbraw/zinc/62/96/54/551629654.db2.gz ZZTQCECTBMBYPE-UHFFFAOYSA-N 0 0 556.530 4.924 50 0 KJAARN O=C1c2ccccc2C(=O)N1c1cc(-c2nc3ccccc3c(=O)o2)cc(-c2nc3ccccc3c(=O)o2)c1 ZINC000001233578 1067157085 /nfs/dbraw/zinc/15/70/85/1067157085.db2.gz PXHUDTAIFUYSRD-UHFFFAOYSA-N 0 0 513.465 4.824 50 0 KJAARN O=S(=O)(NCc1ccccc1)c1ccc(Sc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000001234542 1067157154 /nfs/dbraw/zinc/15/71/54/1067157154.db2.gz QMRMFEPONMVBKA-UHFFFAOYSA-N 0 0 524.689 4.795 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)c2cc(OC(=O)c3ccccc3)ccc2OC(=O)c2ccccc2)cc1 ZINC000001234559 1067157109 /nfs/dbraw/zinc/15/71/09/1067157109.db2.gz XASXECZXIVZBPA-UHFFFAOYSA-N 0 0 515.543 4.916 50 0 KJAARN Cc1ccccc1S(=O)(=O)N1c2ccccc2C(=O)N(S(=O)(=O)c2ccccc2C)c2ccccc2C1=O ZINC000001234926 551629745 /nfs/dbraw/zinc/62/97/45/551629745.db2.gz JNOWYFZVJNYTLF-UHFFFAOYSA-N 0 0 546.626 4.688 50 0 KJAARN COc1ccccc1-n1c2nnc(SCc3ccc4c(c3)OCO4)n2c2sc3c(c2c1=O)CCC3 ZINC000001236866 551629931 /nfs/dbraw/zinc/62/99/31/551629931.db2.gz PKNHLEVGJNEAEU-UHFFFAOYSA-N 0 0 504.593 4.613 50 0 KJAARN CN(C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(C)(C)OC3)c1ccccc1 ZINC000001238766 551630341 /nfs/dbraw/zinc/63/03/41/551630341.db2.gz GQKGETVEWINIOF-UHFFFAOYSA-N 0 0 559.717 4.955 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c(OC)c1 ZINC000001239157 551630277 /nfs/dbraw/zinc/63/02/77/551630277.db2.gz YHVIXEDWQPEQKX-UHFFFAOYSA-N 0 0 526.412 4.896 50 0 KJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 ZINC000001239218 551630287 /nfs/dbraw/zinc/63/02/87/551630287.db2.gz KTUVIZSFIXCIGB-UHFFFAOYSA-N 0 0 510.373 4.551 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc3c4c2cccc4C(=O)N(c2ccccc2OC)C3=O)cc1OC ZINC000001240632 551630637 /nfs/dbraw/zinc/63/06/37/551630637.db2.gz RSZZTVCMMAOUCA-UHFFFAOYSA-N 0 0 510.546 4.639 50 0 KJAARN CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 ZINC000001241337 551630976 /nfs/dbraw/zinc/63/09/76/551630976.db2.gz VNMGCVFQNSMWCW-UHFFFAOYSA-N 0 0 509.433 4.889 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2cccc(C)c2)COC(C)(C)C4)cc1 ZINC000001241683 551630879 /nfs/dbraw/zinc/63/08/79/551630879.db2.gz XJVLNDJNEIUQBQ-UHFFFAOYSA-N 0 0 500.624 4.980 50 0 KJAARN Cn1c2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2c2sc3c(c2c1=O)CCCC3 ZINC000001242846 551631173 /nfs/dbraw/zinc/63/11/73/551631173.db2.gz VBUZWMCEEULJAV-UHFFFAOYSA-N 0 0 515.664 4.519 50 0 KJAARN Cc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(Br)cc4)n21)CC(C)(C)OC3 ZINC000001242915 551631160 /nfs/dbraw/zinc/63/11/60/551631160.db2.gz BBWGMCYFZXRXCJ-UHFFFAOYSA-N 0 0 518.462 4.992 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 ZINC000001243427 551631193 /nfs/dbraw/zinc/63/11/93/551631193.db2.gz CCENGOTXRAKLQH-UHFFFAOYSA-N 0 0 523.416 4.781 50 0 KJAARN Cc1cccc(-n2c(=O)c3cc4c(nc3nc2SCC(=O)Nc2ccccc2C)CC(C)(C)OC4)c1 ZINC000001243838 551631223 /nfs/dbraw/zinc/63/12/23/551631223.db2.gz QHGASWYGRMHWBW-UHFFFAOYSA-N 0 0 500.624 4.980 50 0 KJAARN Cc1ccc(-n2c3nnc(S[C@H](C)C(=O)N4CCCCC4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001244679 551631230 /nfs/dbraw/zinc/63/12/30/551631230.db2.gz JLKPDKXSKORKKC-NQIIRXRSSA-N 0 0 551.738 4.994 50 0 KJAARN Cc1ccc(-c2nnc(N3CCCCC3)c3ccccc32)cc1S(=O)(=O)NCc1nc2ccccc2[nH]1 ZINC000001245304 551631564 /nfs/dbraw/zinc/63/15/64/551631564.db2.gz KBCGARUWQCWYEO-UHFFFAOYSA-N 0 0 512.639 4.950 50 0 KJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 ZINC000001245456 551631506 /nfs/dbraw/zinc/63/15/06/551631506.db2.gz PMKRHVDFRXJBEK-UHFFFAOYSA-N 0 0 524.400 4.594 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 ZINC000001245557 551631541 /nfs/dbraw/zinc/63/15/41/551631541.db2.gz NDMXCUITNIKWRA-UHFFFAOYSA-N 0 0 523.416 4.781 50 0 KJAARN CC1(C)Cc2c(sc3c2c(=O)n(CCc2ccccc2)c2nnc(SCC(=O)Nc4ccccc4)n23)CO1 ZINC000001245698 551631576 /nfs/dbraw/zinc/63/15/76/551631576.db2.gz SZDHZKCGTFXKSA-UHFFFAOYSA-N 0 0 545.690 4.931 50 0 KJAARN CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)Nc4ccccc4)n23)CO1 ZINC000001245879 551631538 /nfs/dbraw/zinc/63/15/38/551631538.db2.gz CWDQXCLGBHLIFP-UHFFFAOYSA-N 0 0 517.636 4.677 50 0 KJAARN COc1ccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCCCC4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001247003 551631656 /nfs/dbraw/zinc/63/16/56/551631656.db2.gz ASMGECIBESXFOO-LAUBAEHRSA-N 0 0 567.737 4.694 50 0 KJAARN COc1ccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCCCC4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001247004 551631647 /nfs/dbraw/zinc/63/16/47/551631647.db2.gz ASMGECIBESXFOO-UWJYYQICSA-N 0 0 567.737 4.694 50 0 KJAARN COc1ccc(-n2c3nnc(S[C@H](C)C(=O)N4CCCCC4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001247005 551632033 /nfs/dbraw/zinc/63/20/33/551632033.db2.gz ASMGECIBESXFOO-DYESRHJHSA-N 0 0 567.737 4.694 50 0 KJAARN COc1ccc(-n2c3nnc(S[C@H](C)C(=O)N4CCCCC4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001247006 551631965 /nfs/dbraw/zinc/63/19/65/551631965.db2.gz ASMGECIBESXFOO-UTKZUKDTSA-N 0 0 567.737 4.694 50 0 KJAARN O=C1C[C@@H](N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000001248203 551631972 /nfs/dbraw/zinc/63/19/72/551631972.db2.gz IFBGLGWKKHMAKD-RSXGOPAZSA-N 0 0 585.873 4.984 50 0 KJAARN O=C1C[C@H](N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000001248204 551632025 /nfs/dbraw/zinc/63/20/25/551632025.db2.gz IFBGLGWKKHMAKD-AZGAKELHSA-N 0 0 585.873 4.984 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3CCc2ccccc2)CCCC4)cc1 ZINC000001251245 551632546 /nfs/dbraw/zinc/63/25/46/551632546.db2.gz BCTOGEANWHVKQJ-UHFFFAOYSA-N 0 0 545.690 4.967 50 0 KJAARN COc1ccc(-n2c3nnc(SCc4ccc5c(c4)OCO5)n3c3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000001251378 551632536 /nfs/dbraw/zinc/63/25/36/551632536.db2.gz XOAIJWFGRHIWRF-UHFFFAOYSA-N 0 0 548.646 4.976 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1OC ZINC000001251379 551632559 /nfs/dbraw/zinc/63/25/59/551632559.db2.gz SOVQRHCCFGQYNU-UHFFFAOYSA-N 0 0 526.416 4.840 50 0 KJAARN Cc1cccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)c1 ZINC000001252141 551632743 /nfs/dbraw/zinc/63/27/43/551632743.db2.gz JITWBRSOEVXDCG-UHFFFAOYSA-N 0 0 535.695 4.967 50 0 KJAARN Cc1c(NC(=O)c2c(N)n(-c3ccc(Br)cc3)c3nc4ccccc4nc32)c(=O)n(-c2ccccc2)n1C ZINC000001253152 551632692 /nfs/dbraw/zinc/63/26/92/551632692.db2.gz IPQSMLANFNNZBV-UHFFFAOYSA-N 0 0 568.435 4.969 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 ZINC000001253625 551632690 /nfs/dbraw/zinc/63/26/90/551632690.db2.gz DRQYYAOODCHBBY-UHFFFAOYSA-N 0 0 524.400 4.609 50 0 KJAARN CN(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 ZINC000001253770 551632716 /nfs/dbraw/zinc/63/27/16/551632716.db2.gz JMDARKHUGJZXCR-UHFFFAOYSA-N 0 0 509.433 4.889 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 ZINC000001253834 551632988 /nfs/dbraw/zinc/63/29/88/551632988.db2.gz CWHBFJUHTBWAPQ-UHFFFAOYSA-N 0 0 510.369 4.608 50 0 KJAARN Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000001253907 551633054 /nfs/dbraw/zinc/63/30/54/551633054.db2.gz JIWXUKOEXTYDMI-UHFFFAOYSA-N 0 0 505.665 4.844 50 0 KJAARN O=C1C[C@H](N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000001254966 551633143 /nfs/dbraw/zinc/63/31/43/551633143.db2.gz YFUIIYTXBCIQIX-DEOSSOPVSA-N 0 0 587.408 4.609 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccc(C)cc2)COC(C)(C)C4)cc1 ZINC000001255275 551633162 /nfs/dbraw/zinc/63/31/62/551633162.db2.gz UCMDSUQGOXMHLL-UHFFFAOYSA-N 0 0 516.623 4.680 50 0 KJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2)CC1 ZINC000001256181 551633152 /nfs/dbraw/zinc/63/31/52/551633152.db2.gz LVMDIJAEAJADQT-UHFFFAOYSA-N 0 0 525.390 4.814 50 0 KJAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc2ccccc21 ZINC000001262309 551633646 /nfs/dbraw/zinc/63/36/46/551633646.db2.gz OFWYSRVHRIQTRI-UHFFFAOYSA-N 0 0 500.649 4.991 50 0 KJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)cc1Cl ZINC000001263769 551634010 /nfs/dbraw/zinc/63/40/10/551634010.db2.gz LYGIXQACDQCZQJ-UHFFFAOYSA-N 0 0 523.486 4.824 50 0 KJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1Cl ZINC000001266749 551634072 /nfs/dbraw/zinc/63/40/72/551634072.db2.gz CLPPASULHQGWPO-UHFFFAOYSA-N 0 0 529.087 4.889 50 0 KJAARN CCOC(=O)c1[nH]c2ccc(SCCN3C(=O)c4ccccc4C3=O)cc2c1CCN1C(=O)c2ccccc2C1=O ZINC000001267643 551634054 /nfs/dbraw/zinc/63/40/54/551634054.db2.gz NWQPVUDKFRZZBS-UHFFFAOYSA-N 0 0 567.623 4.572 50 0 KJAARN Cc1ccc(-c2nn(CC(=O)NCc3cc(-c4nn(C)c(=O)c5ccccc54)ccc3C)c(=O)c3ccccc32)cc1 ZINC000001267833 551634076 /nfs/dbraw/zinc/63/40/76/551634076.db2.gz LZTNMOJSEQRIOW-UHFFFAOYSA-N 0 0 555.638 4.911 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cc(I)ccc1Cl ZINC000001268144 551634041 /nfs/dbraw/zinc/63/40/41/551634041.db2.gz NINUGVDOEJZFOQ-UHFFFAOYSA-N 0 0 535.769 4.752 50 0 KJAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1 ZINC000001268342 551634427 /nfs/dbraw/zinc/63/44/27/551634427.db2.gz RECGNKBQNXHXBQ-UHFFFAOYSA-N 0 0 508.669 4.625 50 0 KJAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1Br ZINC000001268464 551634338 /nfs/dbraw/zinc/63/43/38/551634338.db2.gz JSGBGHCFNKVDIT-UHFFFAOYSA-N 0 0 529.485 4.600 50 0 KJAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc(Cl)c1Cl ZINC000001268574 551634373 /nfs/dbraw/zinc/63/43/73/551634373.db2.gz FZBUNKMFKDEDFQ-UHFFFAOYSA-N 0 0 503.411 4.676 50 0 KJAARN COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@@H]34)C2O)cc1 ZINC000001269790 551634669 /nfs/dbraw/zinc/63/46/69/551634669.db2.gz UNWJUYYXCJWMEJ-FWEHEUNISA-N 0 0 583.438 4.836 50 0 KJAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001270027 551634599 /nfs/dbraw/zinc/63/45/99/551634599.db2.gz RIOZHDRCQIFYRF-AWEZNQCLSA-N 0 0 553.379 4.885 50 0 KJAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001270028 551634576 /nfs/dbraw/zinc/63/45/76/551634576.db2.gz RIOZHDRCQIFYRF-CQSZACIVSA-N 0 0 553.379 4.885 50 0 KJAARN CCN(CC)C(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC(C)(C)CO)c3)c3ccccc32)cc1 ZINC000001270064 551634639 /nfs/dbraw/zinc/63/46/39/551634639.db2.gz JNHRSKQZKZBFIT-UHFFFAOYSA-N 0 0 561.708 4.880 50 0 KJAARN CCCN(CCC)C(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccc(OC)cc1 ZINC000001270787 551634611 /nfs/dbraw/zinc/63/46/11/551634611.db2.gz OKVVBEFXRVMSCV-UHFFFAOYSA-N 0 0 551.450 4.740 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCN(C)C4)c(OC)c1 ZINC000001270809 551634564 /nfs/dbraw/zinc/63/45/64/551634564.db2.gz PSLWJCMONFPLSG-UHFFFAOYSA-N 0 0 557.097 4.837 50 0 KJAARN Cc1ccc(S(=O)(=O)c2c(N)n(CCNC(=O)c3cccc(Br)c3)c3nc4ccccc4nc32)cc1 ZINC000001272925 551635261 /nfs/dbraw/zinc/63/52/61/551635261.db2.gz UMDXZXVIMAWNCW-UHFFFAOYSA-N 0 0 564.465 4.500 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1OC ZINC000001273021 551635253 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515.664 4.958 50 0 KJAARN CC1(C)Cc2c(sc3nc(SCC(=O)NCc4ccco4)n(CCc4ccccc4)c(=O)c23)CO1 ZINC000001301989 551638206 /nfs/dbraw/zinc/63/82/06/551638206.db2.gz UMCPFBOKAMGQBS-UHFFFAOYSA-N 0 0 509.653 4.554 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 ZINC000001302537 551638526 /nfs/dbraw/zinc/63/85/26/551638526.db2.gz VZPKNPDKNBEYDK-UHFFFAOYSA-N 0 0 524.396 4.650 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2cccc(C)c2)COC(C)(C)C4)cc1 ZINC000001305306 551638506 /nfs/dbraw/zinc/63/85/06/551638506.db2.gz IWJBVHNWDQAGRQ-UHFFFAOYSA-N 0 0 516.623 4.680 50 0 KJAARN CC1(C)Cc2c(sc3nc(SCC(=O)Nc4ccccn4)n(CCc4ccccc4)c(=O)c32)CO1 ZINC000001306934 551638990 /nfs/dbraw/zinc/63/89/90/551638990.db2.gz WFJRGUZPAUMUKA-UHFFFAOYSA-N 0 0 506.653 4.678 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccc(C)cc2)COC(C)(C)C4)cc1 ZINC000001307183 551639359 /nfs/dbraw/zinc/63/93/59/551639359.db2.gz KOGYAQAUYYTMHB-UHFFFAOYSA-N 0 0 500.624 4.980 50 0 KJAARN CC(C)[C@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S[C@@H](C)C(=O)N4CCCCC4)n32)CO1 ZINC000001308223 551639405 /nfs/dbraw/zinc/63/94/05/551639405.db2.gz NUNXEPSABFNINI-GHTZIAJQSA-N 0 0 551.738 4.744 50 0 KJAARN CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S[C@@H](C)C(=O)N4CCCCC4)n32)CO1 ZINC000001308224 551639414 /nfs/dbraw/zinc/63/94/14/551639414.db2.gz NUNXEPSABFNINI-RXVVDRJESA-N 0 0 551.738 4.744 50 0 KJAARN CC(C)[C@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S[C@H](C)C(=O)N4CCCCC4)n32)CO1 ZINC000001308225 551639328 /nfs/dbraw/zinc/63/93/28/551639328.db2.gz NUNXEPSABFNINI-WIYYLYMNSA-N 0 0 551.738 4.744 50 0 KJAARN CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S[C@H](C)C(=O)N4CCCCC4)n32)CO1 ZINC000001308226 551639420 /nfs/dbraw/zinc/63/94/20/551639420.db2.gz NUNXEPSABFNINI-NQIIRXRSSA-N 0 0 551.738 4.744 50 0 KJAARN COc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc(OC)c1 ZINC000001308310 551639388 /nfs/dbraw/zinc/63/93/88/551639388.db2.gz RMWLDQHACTWCLN-UHFFFAOYSA-N 0 0 526.416 4.840 50 0 KJAARN CCc1nnc(NC(=O)c2cn(C3CC3)c3cc(N4CCN(C(=O)c5cccc(Cl)c5)CC4)c(F)cc3c2=O)s1 ZINC000001311397 551639584 /nfs/dbraw/zinc/63/95/84/551639584.db2.gz SJXLMVUBHGTHKR-UHFFFAOYSA-N 0 0 581.073 4.758 50 0 KJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1Br ZINC000001311437 551639551 /nfs/dbraw/zinc/63/95/51/551639551.db2.gz XIKLIISCEJQETI-UHFFFAOYSA-N 0 0 559.511 4.608 50 0 KJAARN COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000001312005 551640001 /nfs/dbraw/zinc/64/00/01/551640001.db2.gz IGVOSERIYRMXPK-UHFFFAOYSA-N 0 0 500.418 4.734 50 0 KJAARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000001312060 551639960 /nfs/dbraw/zinc/63/99/60/551639960.db2.gz RZCRIPGWOLRUCK-MNUOIFNESA-N 0 0 583.984 4.635 50 0 KJAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000001314995 551640487 /nfs/dbraw/zinc/64/04/87/551640487.db2.gz DBDWNCIYSTXCGQ-YTCPBCGMSA-N 0 0 550.567 4.974 50 0 KJAARN Cc1cc(Br)c(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)c(Br)c1 ZINC000001315365 551640443 /nfs/dbraw/zinc/64/04/43/551640443.db2.gz MOWYJDHTYBLUQQ-UHFFFAOYSA-N 0 0 564.263 4.941 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccc(Br)cc1 ZINC000001320788 551641262 /nfs/dbraw/zinc/64/12/62/551641262.db2.gz OEUZXENYRCBMJP-UHFFFAOYSA-N 0 0 569.437 4.762 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccc(CC)cc1 ZINC000001320793 551641236 /nfs/dbraw/zinc/64/12/36/551641236.db2.gz BLYGSSPBRFQEBQ-UHFFFAOYSA-N 0 0 518.595 4.562 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccc(Cl)cc1 ZINC000001320794 551641240 /nfs/dbraw/zinc/64/12/40/551641240.db2.gz MCTYXJNWAIWKKZ-UHFFFAOYSA-N 0 0 524.986 4.653 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1cccc(Cl)c1 ZINC000001320795 551641266 /nfs/dbraw/zinc/64/12/66/551641266.db2.gz UKNHXFHKKQCAQL-UHFFFAOYSA-N 0 0 524.986 4.653 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1cc(OC)ccc1OC ZINC000001320818 551641402 /nfs/dbraw/zinc/64/14/02/551641402.db2.gz FWDQMZQROMVITP-UHFFFAOYSA-N 0 0 520.611 4.847 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1ccc(OC)cc1OC ZINC000001320819 551641398 /nfs/dbraw/zinc/64/13/98/551641398.db2.gz JXYQIXHOYXAOMF-UHFFFAOYSA-N 0 0 520.611 4.847 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1cccc(C(=O)OC)c1 ZINC000001320823 551641395 /nfs/dbraw/zinc/64/13/95/551641395.db2.gz MUUPSZDFWINXQB-UHFFFAOYSA-N 0 0 518.595 4.617 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000001320825 551641429 /nfs/dbraw/zinc/64/14/29/551641429.db2.gz YTKSFOBYLDEBQO-UHFFFAOYSA-N 0 0 518.595 4.617 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000001320828 551641439 /nfs/dbraw/zinc/64/14/39/551641439.db2.gz UAQQWTHUAKQNCS-UHFFFAOYSA-N 0 0 518.595 4.778 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1cccc(C(=O)OCC)c1 ZINC000001320847 551641432 /nfs/dbraw/zinc/64/14/32/551641432.db2.gz QNYCJSIZVZPGHI-UHFFFAOYSA-N 0 0 522.558 4.529 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1ccc(I)cc1 ZINC000001320848 551641388 /nfs/dbraw/zinc/64/13/88/551641388.db2.gz VFXAFEZOVRGQIQ-UHFFFAOYSA-N 0 0 576.391 4.957 50 0 KJAARN COC(=O)c1ccc(NC(=O)c2c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc3nc(C)cc(=O)n32)cc1 ZINC000001320881 551641413 /nfs/dbraw/zinc/64/14/13/551641413.db2.gz OBWZWKBZJHRKAJ-UHFFFAOYSA-N 0 0 531.377 4.662 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccc(C)c(C)c1 ZINC000001320884 551641397 /nfs/dbraw/zinc/64/13/97/551641397.db2.gz COWRNNODGGVLHV-UHFFFAOYSA-N 0 0 518.595 4.617 50 0 KJAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1ccc(I)cc1 ZINC000001320902 551641385 /nfs/dbraw/zinc/64/13/85/551641385.db2.gz HIKTYWWUWXSVGZ-UHFFFAOYSA-N 0 0 558.401 4.790 50 0 KJAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1ccc(Br)cc1 ZINC000001320903 551641421 /nfs/dbraw/zinc/64/14/21/551641421.db2.gz NUWCHVDIPZGFFJ-UHFFFAOYSA-N 0 0 511.401 4.948 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1ccc(I)cc1 ZINC000001320911 551641811 /nfs/dbraw/zinc/64/18/11/551641811.db2.gz ASMDMFPHHHAOOM-UHFFFAOYSA-N 0 0 558.401 4.818 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1ccc(Br)cc1 ZINC000001320912 551641802 /nfs/dbraw/zinc/64/18/02/551641802.db2.gz JAPISOPDNMTXPO-UHFFFAOYSA-N 0 0 511.401 4.976 50 0 KJAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(Cl)cc1)c2C(=O)Nc1ccc(Br)cc1 ZINC000001320952 551641727 /nfs/dbraw/zinc/64/17/27/551641727.db2.gz VHIRAADSCISFKU-UHFFFAOYSA-N 0 0 517.792 4.985 50 0 KJAARN CCOC(=O)c1oc2cc(OC(=O)c3cccc(OC)c3)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 ZINC000001322966 551642071 /nfs/dbraw/zinc/64/20/71/551642071.db2.gz QSIHRBNRJDQYBH-UHFFFAOYSA-N 0 0 504.491 4.882 50 0 KJAARN CCOC(=O)c1oc2cc(OC(=O)c3ccccc3OC)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 ZINC000001323047 551641983 /nfs/dbraw/zinc/64/19/83/551641983.db2.gz IOPHXGAXOUHUCX-UHFFFAOYSA-N 0 0 504.491 4.882 50 0 KJAARN COc1cc(CN2CC(=O)N3[C@H](c4cccc(Br)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc(OC)c1OC ZINC000001323529 551642227 /nfs/dbraw/zinc/64/22/27/551642227.db2.gz VEYAYISOHFAWDZ-NEKDWFFYSA-N 0 0 590.474 4.841 50 0 biogenic KJAARN COc1cc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(Br)c3)C2=O)cc(OC)c1OC ZINC000001323530 551642190 /nfs/dbraw/zinc/64/21/90/551642190.db2.gz VEYAYISOHFAWDZ-FIPFOOKPSA-N 0 0 590.474 4.841 50 0 biogenic KJAARN O=C(CSc1n[nH]c(=O)n1-c1ccc(OCc2ccccc2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000001324196 551642265 /nfs/dbraw/zinc/64/22/65/551642265.db2.gz ZFSNSIOELZIXLR-UHFFFAOYSA-N 0 0 500.502 4.889 50 0 KJAARN CC(C)Oc1cc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl ZINC000001387578 551660736 /nfs/dbraw/zinc/66/07/36/551660736.db2.gz JBWSDYDPTVDRQQ-UHFFFAOYSA-N 0 0 527.348 4.791 50 0 KJAARN Cn1c(CNS(=O)(=O)c2ccc(Br)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000001388277 551660631 /nfs/dbraw/zinc/66/06/31/551660631.db2.gz RUOHXFKODGEGBD-UHFFFAOYSA-N 0 0 522.277 4.655 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000001392345 551660929 /nfs/dbraw/zinc/66/09/29/551660929.db2.gz ZQFYLXYZLVCOGG-UHFFFAOYSA-N 0 0 523.438 4.865 50 0 KJAARN CCOC(=O)c1csc(N(c2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)n1 ZINC000001395332 551661002 /nfs/dbraw/zinc/66/10/02/551661002.db2.gz XRFJJMDJUYNWKA-UHFFFAOYSA-N 0 0 513.519 4.824 50 0 KJAARN O=C(Nc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(F)c1)c1cccc(Cl)c1 ZINC000001399160 551661265 /nfs/dbraw/zinc/66/12/65/551661265.db2.gz LRUBJTUEIALYLY-UHFFFAOYSA-N 0 0 508.402 4.896 50 0 KJAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000001401069 551661275 /nfs/dbraw/zinc/66/12/75/551661275.db2.gz RKVGBCUNRWFHCK-UHFFFAOYSA-N 0 0 500.979 4.941 50 0 KJAARN O=C(CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000001401415 551661302 /nfs/dbraw/zinc/66/13/02/551661302.db2.gz HZLNJSFSDXPGLB-UHFFFAOYSA-N 0 0 530.283 4.688 50 0 KJAARN Cc1noc(N(S(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)c1Cl ZINC000001403432 551661293 /nfs/dbraw/zinc/66/12/93/551661293.db2.gz IINPFDPFWIAQNK-UHFFFAOYSA-N 0 0 570.668 4.746 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000001403454 551661263 /nfs/dbraw/zinc/66/12/63/551661263.db2.gz UQBQOGWYMMLNPX-UHFFFAOYSA-N 0 0 500.823 4.780 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N(Cc2cccnc2)C(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000001405476 551661557 /nfs/dbraw/zinc/66/15/57/551661557.db2.gz LCWULWOQVCKXLZ-MHZLTWQESA-N 0 0 527.650 4.998 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2cccnc2)C(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000001405480 551661689 /nfs/dbraw/zinc/66/16/89/551661689.db2.gz LCWULWOQVCKXLZ-HHHXNRCGSA-N 0 0 527.650 4.998 50 0 KJAARN COc1ccc(NC(=O)C(C)(C)N(Cc2ccccc2)C(=O)CSc2nc(C)cc(C)n2)c(OC)c1 ZINC000001407232 551662245 /nfs/dbraw/zinc/66/22/45/551662245.db2.gz WMIOCXBXFOUTON-UHFFFAOYSA-N 0 0 508.644 4.649 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2F)C(C)(C)C(=O)Nc2ccc(N(C)C)cc2)n1 ZINC000001407563 551662447 /nfs/dbraw/zinc/66/24/47/551662447.db2.gz PWTORRRVMIIXHM-UHFFFAOYSA-N 0 0 509.651 4.837 50 0 KJAARN COc1ccc(CN(C(=O)CSc2nc(C)cc(C)n2)C2(C(=O)Nc3ccc4c(c3)OCO4)CCCC2)cc1 ZINC000001407578 551662505 /nfs/dbraw/zinc/66/25/05/551662505.db2.gz AIKGDHKZJMIIRM-UHFFFAOYSA-N 0 0 548.665 4.903 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)n1 ZINC000001407828 551662695 /nfs/dbraw/zinc/66/26/95/551662695.db2.gz DJEHWQIXLDXZQX-MHZLTWQESA-N 0 0 559.623 4.857 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)n1 ZINC000001407829 551662715 /nfs/dbraw/zinc/66/27/15/551662715.db2.gz DJEHWQIXLDXZQX-HHHXNRCGSA-N 0 0 559.623 4.857 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@H](C(=O)Nc2ccc3c(c2)OCO3)[C@@H]2CC=CCC2)n1 ZINC000001407832 551662713 /nfs/dbraw/zinc/66/27/13/551662713.db2.gz DCRPCCWIZZCFDN-AMGIVPHBSA-N 0 0 545.665 4.702 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)[C@@H]2CC=CCC2)n1 ZINC000001407833 551662739 /nfs/dbraw/zinc/66/27/39/551662739.db2.gz DCRPCCWIZZCFDN-AJTFRIOCSA-N 0 0 545.665 4.702 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@H](C(=O)Nc2ccc3c(c2)OCO3)[C@H]2CC=CCC2)n1 ZINC000001407834 551662706 /nfs/dbraw/zinc/66/27/06/551662706.db2.gz DCRPCCWIZZCFDN-CUNXSJBXSA-N 0 0 545.665 4.702 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)[C@H]2CC=CCC2)n1 ZINC000001407835 551662737 /nfs/dbraw/zinc/66/27/37/551662737.db2.gz DCRPCCWIZZCFDN-WXVAWEFUSA-N 0 0 545.665 4.702 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@@H]2CC=CCC2)N(Cc2cccnc2)C(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000001407846 551662750 /nfs/dbraw/zinc/66/27/50/551662750.db2.gz FYBZAIDLOVUNHN-KCWPFWIISA-N 0 0 531.682 4.982 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2cccnc2)C(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000001407847 551662718 /nfs/dbraw/zinc/66/27/18/551662718.db2.gz FYBZAIDLOVUNHN-YIXXDRMTSA-N 0 0 531.682 4.982 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@H]2CC=CCC2)N(Cc2cccnc2)C(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000001407848 551662688 /nfs/dbraw/zinc/66/26/88/551662688.db2.gz FYBZAIDLOVUNHN-HOFKKMOUSA-N 0 0 531.682 4.982 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2cccnc2)C(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000001407849 551662692 /nfs/dbraw/zinc/66/26/92/551662692.db2.gz FYBZAIDLOVUNHN-WNCULLNHSA-N 0 0 531.682 4.982 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2)[C@H](C(=O)Nc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000001407868 551662704 /nfs/dbraw/zinc/66/27/04/551662704.db2.gz PRYWOPJJYVZDFC-SANMLTNESA-N 0 0 505.688 4.944 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000001407869 551662724 /nfs/dbraw/zinc/66/27/24/551662724.db2.gz PRYWOPJJYVZDFC-AREMUKBSSA-N 0 0 505.688 4.944 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2C)[C@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)n1 ZINC000001407910 551662952 /nfs/dbraw/zinc/66/29/52/551662952.db2.gz DAQOOAKCFDSNAA-SANMLTNESA-N 0 0 520.655 4.915 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2C)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)n1 ZINC000001407912 551662887 /nfs/dbraw/zinc/66/28/87/551662887.db2.gz DAQOOAKCFDSNAA-AREMUKBSSA-N 0 0 520.655 4.915 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)n1 ZINC000001407914 551662949 /nfs/dbraw/zinc/66/29/49/551662949.db2.gz BLCZLNMSGNRBIO-VWLOTQADSA-N 0 0 524.618 4.745 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)n1 ZINC000001407916 551662928 /nfs/dbraw/zinc/66/29/28/551662928.db2.gz BLCZLNMSGNRBIO-RUZDIDTESA-N 0 0 524.618 4.745 50 0 KJAARN COc1ccc(CN(C(=O)CSc2nc(C)cc(C)n2)[C@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000001407918 551662875 /nfs/dbraw/zinc/66/28/75/551662875.db2.gz DWJCYGXQYWXIKK-SANMLTNESA-N 0 0 536.654 4.615 50 0 KJAARN COc1ccc(CN(C(=O)CSc2nc(C)cc(C)n2)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000001407920 551662861 /nfs/dbraw/zinc/66/28/61/551662861.db2.gz DWJCYGXQYWXIKK-AREMUKBSSA-N 0 0 536.654 4.615 50 0 KJAARN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1I ZINC000001408539 551663752 /nfs/dbraw/zinc/66/37/52/551663752.db2.gz HSYOQZTYXYDCRY-UHFFFAOYSA-N 0 0 500.321 4.621 50 0 KJAARN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(I)c1 ZINC000001408540 551663727 /nfs/dbraw/zinc/66/37/27/551663727.db2.gz CGJGTFCHMMCQQF-UHFFFAOYSA-N 0 0 500.321 4.621 50 0 KJAARN O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(I)c1 ZINC000001408541 551663743 /nfs/dbraw/zinc/66/37/43/551663743.db2.gz IYFKDTIVEANQDE-UHFFFAOYSA-N 0 0 500.321 4.621 50 0 KJAARN COc1ccc(-n2nc3ccc(NC(=O)c4cc(I)ccc4Cl)cc3n2)cc1 ZINC000001408949 551663734 /nfs/dbraw/zinc/66/37/34/551663734.db2.gz MKFXZEHXZHRZPS-UHFFFAOYSA-N 0 0 504.715 4.939 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSC2=N/C(=C/c3ccc(OC)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000001409358 551663968 /nfs/dbraw/zinc/66/39/68/551663968.db2.gz YZQKGOOGDSYHMZ-LFVJCYFKSA-N 0 0 531.590 4.606 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2cccs2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001412441 551664949 /nfs/dbraw/zinc/66/49/49/551664949.db2.gz RUIKXDDMHBMGGD-HHHXNRCGSA-N 0 0 511.607 4.910 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2cccs2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001412442 551664963 /nfs/dbraw/zinc/66/49/63/551664963.db2.gz RUIKXDDMHBMGGD-MHZLTWQESA-N 0 0 511.607 4.910 50 0 KJAARN CN(C)c1ccc(NC(=O)[C@@H](c2cccs2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001412443 551664951 /nfs/dbraw/zinc/66/49/51/551664951.db2.gz NYDLIYASDHIKAV-MUUNZHRXSA-N 0 0 524.650 4.968 50 0 KJAARN CN(C)c1ccc(NC(=O)[C@H](c2cccs2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001412444 551664960 /nfs/dbraw/zinc/66/49/60/551664960.db2.gz NYDLIYASDHIKAV-NDEPHWFRSA-N 0 0 524.650 4.968 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)c2cccs2)cc1 ZINC000001412451 551664928 /nfs/dbraw/zinc/66/49/28/551664928.db2.gz UMYLHAIEMKGAGK-NDEPHWFRSA-N 0 0 541.633 4.919 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)c2cccs2)cc1 ZINC000001412452 551664970 /nfs/dbraw/zinc/66/49/70/551664970.db2.gz UMYLHAIEMKGAGK-MUUNZHRXSA-N 0 0 541.633 4.919 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)c2cccs2)cc1 ZINC000001412459 551664945 /nfs/dbraw/zinc/66/49/45/551664945.db2.gz NOTBDWHNDMNTRH-GDLZYMKVSA-N 0 0 554.676 4.976 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)c2cccs2)cc1 ZINC000001412460 551664978 /nfs/dbraw/zinc/66/49/78/551664978.db2.gz NOTBDWHNDMNTRH-LJAQVGFWSA-N 0 0 554.676 4.976 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 ZINC000001412461 551664923 /nfs/dbraw/zinc/66/49/23/551664923.db2.gz XYBFNMYKTNIQGY-NDEPHWFRSA-N 0 0 539.617 4.939 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 ZINC000001412462 551664920 /nfs/dbraw/zinc/66/49/20/551664920.db2.gz XYBFNMYKTNIQGY-MUUNZHRXSA-N 0 0 539.617 4.939 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000001412465 551664953 /nfs/dbraw/zinc/66/49/53/551664953.db2.gz PCGUGPPQKKMKRJ-NDEPHWFRSA-N 0 0 555.616 4.639 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000001412466 551664935 /nfs/dbraw/zinc/66/49/35/551664935.db2.gz PCGUGPPQKKMKRJ-MUUNZHRXSA-N 0 0 555.616 4.639 50 0 KJAARN COc1ccc(CCn2c(=O)cc3c(c(=O)n(-c4nc5ccccc5s4)n3CC(=O)Nc3ccc(OC)cc3)c2C)cc1 ZINC000001413837 551666413 /nfs/dbraw/zinc/66/64/13/551666413.db2.gz GVZXSSVDUMGXAT-UHFFFAOYSA-N 0 0 595.681 4.771 50 0 KJAARN CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1nc(-c2ccccc2)cs1)C(=O)Cn1nnc2ccccc21 ZINC000001415117 551666609 /nfs/dbraw/zinc/66/66/09/551666609.db2.gz CYULGPRYRVVZQP-UHFFFAOYSA-N 0 0 554.632 4.730 50 0 KJAARN COc1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2CCc2ccccc2)cc(OC)c1OC ZINC000001417374 551666726 /nfs/dbraw/zinc/66/67/26/551666726.db2.gz BYVTUZIROYUEIS-UHFFFAOYSA-N 0 0 504.612 4.944 50 0 KJAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000001418590 551666682 /nfs/dbraw/zinc/66/66/82/551666682.db2.gz CIBQLGXHRIPJPG-SANMLTNESA-N 0 0 500.530 4.994 50 0 KJAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000001418591 551666751 /nfs/dbraw/zinc/66/67/51/551666751.db2.gz CIBQLGXHRIPJPG-AREMUKBSSA-N 0 0 500.530 4.994 50 0 KJAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000001418594 551666664 /nfs/dbraw/zinc/66/66/64/551666664.db2.gz CXQYSWKIFCJKGR-SANMLTNESA-N 0 0 500.530 4.994 50 0 KJAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000001418595 551666673 /nfs/dbraw/zinc/66/66/73/551666673.db2.gz CXQYSWKIFCJKGR-AREMUKBSSA-N 0 0 500.530 4.994 50 0 KJAARN CN(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N(Cc2cccnc2)C(=O)Cc2ccccc2)cc1 ZINC000001418780 551666739 /nfs/dbraw/zinc/66/67/39/551666739.db2.gz DCBQCRLVRRAIQJ-SSEXGKCCSA-N 0 0 522.605 4.828 50 0 KJAARN CN(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(Cc2cccnc2)C(=O)Cc2ccccc2)cc1 ZINC000001418781 551666750 /nfs/dbraw/zinc/66/67/50/551666750.db2.gz DCBQCRLVRRAIQJ-PMERELPUSA-N 0 0 522.605 4.828 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 ZINC000001418909 551666991 /nfs/dbraw/zinc/66/69/91/551666991.db2.gz PAICENCDJFODFF-RCRUUEGKSA-N 0 0 537.620 4.861 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 ZINC000001418910 551667010 /nfs/dbraw/zinc/66/70/10/551667010.db2.gz PAICENCDJFODFF-YKGWIAGDSA-N 0 0 537.620 4.861 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 ZINC000001418911 551667018 /nfs/dbraw/zinc/66/70/18/551667018.db2.gz PAICENCDJFODFF-CHJDUVSTSA-N 0 0 537.620 4.861 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 ZINC000001418912 551667035 /nfs/dbraw/zinc/66/70/35/551667035.db2.gz PAICENCDJFODFF-SMSORMJASA-N 0 0 537.620 4.861 50 0 KJAARN COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000001418915 551667023 /nfs/dbraw/zinc/66/70/23/551667023.db2.gz IREJCLANHGSGBB-YTTGMZPUSA-N 0 0 593.640 4.894 50 0 KJAARN COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000001418916 551667028 /nfs/dbraw/zinc/66/70/28/551667028.db2.gz IREJCLANHGSGBB-JGCGQSQUSA-N 0 0 593.640 4.894 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 ZINC000001418919 551667007 /nfs/dbraw/zinc/66/70/07/551667007.db2.gz UJLJRUWKTHFKEX-PBBNMVCDSA-N 0 0 541.583 4.692 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 ZINC000001418920 551666997 /nfs/dbraw/zinc/66/69/97/551666997.db2.gz UJLJRUWKTHFKEX-ONOMSOESSA-N 0 0 541.583 4.692 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 ZINC000001418921 551667016 /nfs/dbraw/zinc/66/70/16/551667016.db2.gz UJLJRUWKTHFKEX-LGGPFLRQSA-N 0 0 541.583 4.692 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 ZINC000001418922 551667014 /nfs/dbraw/zinc/66/70/14/551667014.db2.gz UJLJRUWKTHFKEX-KCWXNJEJSA-N 0 0 541.583 4.692 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)[C@@H]2CC=CCC2)cc1 ZINC000001418927 551667021 /nfs/dbraw/zinc/66/70/21/551667021.db2.gz FJJDZDASXOBMTK-RCRUUEGKSA-N 0 0 553.619 4.561 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)[C@@H]2CC=CCC2)cc1 ZINC000001418928 551667032 /nfs/dbraw/zinc/66/70/32/551667032.db2.gz FJJDZDASXOBMTK-YKGWIAGDSA-N 0 0 553.619 4.561 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)[C@H]2CC=CCC2)cc1 ZINC000001418929 551666994 /nfs/dbraw/zinc/66/69/94/551666994.db2.gz FJJDZDASXOBMTK-CHJDUVSTSA-N 0 0 553.619 4.561 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)[C@H]2CC=CCC2)cc1 ZINC000001418930 551667000 /nfs/dbraw/zinc/66/70/00/551667000.db2.gz FJJDZDASXOBMTK-SMSORMJASA-N 0 0 553.619 4.561 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000001418933 551667042 /nfs/dbraw/zinc/66/70/42/551667042.db2.gz OVGNZEXJZWLJGT-PMERELPUSA-N 0 0 567.577 4.717 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000001418934 551667002 /nfs/dbraw/zinc/66/70/02/551667002.db2.gz OVGNZEXJZWLJGT-SSEXGKCCSA-N 0 0 567.577 4.717 50 0 KJAARN COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000001418935 551667295 /nfs/dbraw/zinc/66/72/95/551667295.db2.gz XOICXKABRSFISL-HKBQPEDESA-N 0 0 597.603 4.725 50 0 KJAARN COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000001418936 551667263 /nfs/dbraw/zinc/66/72/63/551667263.db2.gz XOICXKABRSFISL-WJOKGBTCSA-N 0 0 597.603 4.725 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000001418937 551667296 /nfs/dbraw/zinc/66/72/96/551667296.db2.gz IPDANBBVXCBQBG-LJAQVGFWSA-N 0 0 555.541 4.847 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000001418938 551667250 /nfs/dbraw/zinc/66/72/50/551667250.db2.gz IPDANBBVXCBQBG-GDLZYMKVSA-N 0 0 555.541 4.847 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418947 551667254 /nfs/dbraw/zinc/66/72/54/551667254.db2.gz XMYCTUZDADCVKM-RNWIMVQKSA-N 0 0 509.610 4.832 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@@H]2CC=CCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418948 551667267 /nfs/dbraw/zinc/66/72/67/551667267.db2.gz XMYCTUZDADCVKM-BTYSJIOQSA-N 0 0 509.610 4.832 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418949 551667305 /nfs/dbraw/zinc/66/73/05/551667305.db2.gz XMYCTUZDADCVKM-MUAVYFROSA-N 0 0 509.610 4.832 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@H]2CC=CCC2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418950 551667260 /nfs/dbraw/zinc/66/72/60/551667260.db2.gz XMYCTUZDADCVKM-IADCTJSHSA-N 0 0 509.610 4.832 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418953 551667300 /nfs/dbraw/zinc/66/73/00/551667300.db2.gz HTVLLTVJWZDCJJ-GDLZYMKVSA-N 0 0 523.568 4.988 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418954 551667276 /nfs/dbraw/zinc/66/72/76/551667276.db2.gz HTVLLTVJWZDCJJ-LJAQVGFWSA-N 0 0 523.568 4.988 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418967 551667246 /nfs/dbraw/zinc/66/72/46/551667246.db2.gz OHUBFXXLXWVZAE-KPURRNSFSA-N 0 0 527.600 4.971 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@@H]2CC=CCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418968 551667242 /nfs/dbraw/zinc/66/72/42/551667242.db2.gz OHUBFXXLXWVZAE-MNNSJKJDSA-N 0 0 527.600 4.971 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418969 551667298 /nfs/dbraw/zinc/66/72/98/551667298.db2.gz OHUBFXXLXWVZAE-PZGXJGMVSA-N 0 0 527.600 4.971 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@H]2CC=CCC2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418970 551667239 /nfs/dbraw/zinc/66/72/39/551667239.db2.gz OHUBFXXLXWVZAE-ZTOMLWHTSA-N 0 0 527.600 4.971 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)[C@@H]2CC=CCC2)cc1 ZINC000001418975 551667299 /nfs/dbraw/zinc/66/72/99/551667299.db2.gz VBLXNZDNGZYOKR-DJUQAAIZSA-N 0 0 539.636 4.841 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)[C@@H]2CC=CCC2)cc1 ZINC000001418976 551667273 /nfs/dbraw/zinc/66/72/73/551667273.db2.gz VBLXNZDNGZYOKR-WVXBCFDCSA-N 0 0 539.636 4.841 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)[C@H]2CC=CCC2)cc1 ZINC000001418977 551667503 /nfs/dbraw/zinc/66/75/03/551667503.db2.gz VBLXNZDNGZYOKR-JHOBJCJYSA-N 0 0 539.636 4.841 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)[C@H]2CC=CCC2)cc1 ZINC000001418978 551667486 /nfs/dbraw/zinc/66/74/86/551667486.db2.gz VBLXNZDNGZYOKR-YUDQIZAISA-N 0 0 539.636 4.841 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)c2ccc(F)cc2)cc1 ZINC000001418979 551667467 /nfs/dbraw/zinc/66/74/67/551667467.db2.gz MKZRJXIRRHUGHX-PMERELPUSA-N 0 0 553.594 4.996 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccc(F)cc2)cc1 ZINC000001418980 551667436 /nfs/dbraw/zinc/66/74/36/551667436.db2.gz MKZRJXIRRHUGHX-SSEXGKCCSA-N 0 0 553.594 4.996 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)[C@@H]2CC=CCC2)cc1 ZINC000001419013 551667440 /nfs/dbraw/zinc/66/74/40/551667440.db2.gz SULRQUQYSPZKEA-WBBHLRKXSA-N 0 0 552.679 4.898 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)[C@@H]2CC=CCC2)cc1 ZINC000001419014 551667483 /nfs/dbraw/zinc/66/74/83/551667483.db2.gz SULRQUQYSPZKEA-XJFCNFDWSA-N 0 0 552.679 4.898 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)[C@H]2CC=CCC2)cc1 ZINC000001419015 551667509 /nfs/dbraw/zinc/66/75/09/551667509.db2.gz SULRQUQYSPZKEA-QXNWPYRLSA-N 0 0 552.679 4.898 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)[C@H]2CC=CCC2)cc1 ZINC000001419016 551667493 /nfs/dbraw/zinc/66/74/93/551667493.db2.gz SULRQUQYSPZKEA-DLLPINGYSA-N 0 0 552.679 4.898 50 0 KJAARN CN(C)c1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419045 551667676 /nfs/dbraw/zinc/66/76/76/551667676.db2.gz IFWANXHXPKKWRC-GDLZYMKVSA-N 0 0 554.054 4.955 50 0 KJAARN CN(C)c1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419046 551667708 /nfs/dbraw/zinc/66/77/08/551667708.db2.gz IFWANXHXPKKWRC-LJAQVGFWSA-N 0 0 554.054 4.955 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000001419059 551667679 /nfs/dbraw/zinc/66/76/79/551667679.db2.gz VVYVMIWPYTXILM-NDEPHWFRSA-N 0 0 554.994 4.617 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000001419060 551667717 /nfs/dbraw/zinc/66/77/17/551667717.db2.gz VVYVMIWPYTXILM-MUUNZHRXSA-N 0 0 554.994 4.617 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419064 551667665 /nfs/dbraw/zinc/66/76/65/551667665.db2.gz LKAVYIOKFPZOHA-PMERELPUSA-N 0 0 535.604 4.857 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419065 551667657 /nfs/dbraw/zinc/66/76/57/551667657.db2.gz LKAVYIOKFPZOHA-SSEXGKCCSA-N 0 0 535.604 4.857 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419066 551667720 /nfs/dbraw/zinc/66/77/20/551667720.db2.gz KZPGMYRJENGHTA-PMERELPUSA-N 0 0 553.594 4.996 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419067 551667650 /nfs/dbraw/zinc/66/76/50/551667650.db2.gz KZPGMYRJENGHTA-SSEXGKCCSA-N 0 0 553.594 4.996 50 0 KJAARN COc1ccc([C@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419068 551667668 /nfs/dbraw/zinc/66/76/68/551667668.db2.gz CZSYHYQAMUGWFM-WJOKGBTCSA-N 0 0 548.647 4.915 50 0 KJAARN COc1ccc([C@@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419069 551667682 /nfs/dbraw/zinc/66/76/82/551667682.db2.gz CZSYHYQAMUGWFM-HKBQPEDESA-N 0 0 548.647 4.915 50 0 KJAARN CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1nc(-c2ccccc2)cs1)C(=O)Cn1nnc2ccccc21 ZINC000001419089 551667914 /nfs/dbraw/zinc/66/79/14/551667914.db2.gz CNAUDXOGUBJOQE-QHCPKHFHSA-N 0 0 554.632 4.730 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419092 551667942 /nfs/dbraw/zinc/66/79/42/551667942.db2.gz FWWAIEARRHIAIR-SSEXGKCCSA-N 0 0 549.587 4.577 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419093 551667892 /nfs/dbraw/zinc/66/78/92/551667892.db2.gz FWWAIEARRHIAIR-PMERELPUSA-N 0 0 549.587 4.577 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2cccc(OC)c2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419094 551667919 /nfs/dbraw/zinc/66/79/19/551667919.db2.gz WENZAXATVOQLFM-SSEXGKCCSA-N 0 0 553.594 4.996 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2cccc(OC)c2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419095 551667948 /nfs/dbraw/zinc/66/79/48/551667948.db2.gz WENZAXATVOQLFM-PMERELPUSA-N 0 0 553.594 4.996 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000001419100 551667907 /nfs/dbraw/zinc/66/79/07/551667907.db2.gz TVSQLPSYVYBZMS-SSEXGKCCSA-N 0 0 553.594 4.996 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000001419101 551667905 /nfs/dbraw/zinc/66/79/05/551667905.db2.gz TVSQLPSYVYBZMS-PMERELPUSA-N 0 0 553.594 4.996 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000001419106 551667897 /nfs/dbraw/zinc/66/78/97/551667897.db2.gz CIGLYORDNMLYFU-LJAQVGFWSA-N 0 0 555.541 4.847 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000001419107 551667920 /nfs/dbraw/zinc/66/79/20/551667920.db2.gz CIGLYORDNMLYFU-GDLZYMKVSA-N 0 0 555.541 4.847 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(Cc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419114 551667949 /nfs/dbraw/zinc/66/79/49/551667949.db2.gz DPNJLPHWBLOQKJ-HKBQPEDESA-N 0 0 563.614 4.886 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)c2ccc3c(c2)OCO3)cc1 ZINC000001419116 551667930 /nfs/dbraw/zinc/66/79/30/551667930.db2.gz OHCCSMPICGBQFZ-HKBQPEDESA-N 0 0 579.613 4.586 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccc3c(c2)OCO3)cc1 ZINC000001419117 551667945 /nfs/dbraw/zinc/66/79/45/551667945.db2.gz OHCCSMPICGBQFZ-WJOKGBTCSA-N 0 0 579.613 4.586 50 0 KJAARN COc1ccc(NC(=O)[C@H](C(C)C)N(Cc2ccc(Cl)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419118 551667884 /nfs/dbraw/zinc/66/78/84/551667884.db2.gz QILLGNPZNBHSJZ-SANMLTNESA-N 0 0 506.006 4.785 50 0 KJAARN COc1ccc(NC(=O)[C@@H](C(C)C)N(Cc2ccc(Cl)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419119 551667902 /nfs/dbraw/zinc/66/79/02/551667902.db2.gz QILLGNPZNBHSJZ-AREMUKBSSA-N 0 0 506.006 4.785 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000001419144 551668224 /nfs/dbraw/zinc/66/82/24/551668224.db2.gz SBZQYIDNENMIAR-JGCGQSQUSA-N 0 0 593.640 4.894 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000001419145 551668229 /nfs/dbraw/zinc/66/82/29/551668229.db2.gz WMQPPUMZHPAZMF-IIMAJNMQSA-N 0 0 557.626 4.980 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@@H]2CC=CCC2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000001419146 551668236 /nfs/dbraw/zinc/66/82/36/551668236.db2.gz WMQPPUMZHPAZMF-DFXYEROKSA-N 0 0 557.626 4.980 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000001419147 551668184 /nfs/dbraw/zinc/66/81/84/551668184.db2.gz WMQPPUMZHPAZMF-URAOTHONSA-N 0 0 557.626 4.980 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@H]2CC=CCC2)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000001419148 551668200 /nfs/dbraw/zinc/66/82/00/551668200.db2.gz WMQPPUMZHPAZMF-JRPXNJEYSA-N 0 0 557.626 4.980 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1F)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000001419161 551668243 /nfs/dbraw/zinc/66/82/43/551668243.db2.gz GBVFLGPPFVFTTH-LJAQVGFWSA-N 0 0 555.541 4.847 50 0 KJAARN COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419165 551668242 /nfs/dbraw/zinc/66/82/42/551668242.db2.gz ADUINEGXCJCLMA-PMERELPUSA-N 0 0 567.577 4.717 50 0 KJAARN COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419166 551668198 /nfs/dbraw/zinc/66/81/98/551668198.db2.gz ADUINEGXCJCLMA-SSEXGKCCSA-N 0 0 567.577 4.717 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000001419167 551668378 /nfs/dbraw/zinc/66/83/78/551668378.db2.gz CEDHHTOJFASSLR-PMERELPUSA-N 0 0 549.587 4.577 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000001419168 551668369 /nfs/dbraw/zinc/66/83/69/551668369.db2.gz CEDHHTOJFASSLR-SSEXGKCCSA-N 0 0 549.587 4.577 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 ZINC000001419169 551668357 /nfs/dbraw/zinc/66/83/57/551668357.db2.gz OKEWGSHJEGKETQ-HKBQPEDESA-N 0 0 563.614 4.886 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 ZINC000001419170 551668379 /nfs/dbraw/zinc/66/83/79/551668379.db2.gz OKEWGSHJEGKETQ-WJOKGBTCSA-N 0 0 563.614 4.886 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419175 551668421 /nfs/dbraw/zinc/66/84/21/551668421.db2.gz PMKCGMYTCCNQEJ-GDLZYMKVSA-N 0 0 523.568 4.988 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001419176 551668337 /nfs/dbraw/zinc/66/83/37/551668337.db2.gz PMKCGMYTCCNQEJ-LJAQVGFWSA-N 0 0 523.568 4.988 50 0 KJAARN CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc(SCC(=O)N3CCCCC3)n12 ZINC000001421841 551668581 /nfs/dbraw/zinc/66/85/81/551668581.db2.gz PCDLIPLDHUISKE-PMERELPUSA-N 0 0 527.694 4.935 50 0 KJAARN CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc(SCC(=O)N3CCCCC3)n12 ZINC000001421842 551668620 /nfs/dbraw/zinc/66/86/20/551668620.db2.gz PCDLIPLDHUISKE-SSEXGKCCSA-N 0 0 527.694 4.935 50 0 KJAARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CS(=O)(=O)c1ccc(Cl)cc1 ZINC000001421881 551668607 /nfs/dbraw/zinc/66/86/07/551668607.db2.gz FWNILESDUMAYOY-UHFFFAOYSA-N 0 0 528.808 4.670 50 0 KJAARN CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000001422492 551668562 /nfs/dbraw/zinc/66/85/62/551668562.db2.gz OFSZOBQFQWGLIV-JOCHJYFZSA-N 0 0 542.654 4.697 50 0 KJAARN CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000001422493 551668604 /nfs/dbraw/zinc/66/86/04/551668604.db2.gz OFSZOBQFQWGLIV-QFIPXVFZSA-N 0 0 542.654 4.697 50 0 KJAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2cccc(F)c2)c(C)c1 ZINC000001423224 551669044 /nfs/dbraw/zinc/66/90/44/551669044.db2.gz WKLYHNZYRCDVMP-QFIPXVFZSA-N 0 0 525.005 4.772 50 0 KJAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2cccc(F)c2)c(C)c1 ZINC000001423225 551669049 /nfs/dbraw/zinc/66/90/49/551669049.db2.gz WKLYHNZYRCDVMP-JOCHJYFZSA-N 0 0 525.005 4.772 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SC(C(=O)Nc3ccc(Cl)cc3)=CC(=O)N2[C@H]1c1ccc(OC)cc1 ZINC000001424727 551669315 /nfs/dbraw/zinc/66/93/15/551669315.db2.gz VKGLBNHOVQCXEO-QFIPXVFZSA-N 0 0 511.987 4.694 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SC(C(=O)Nc3ccc(Cl)cc3)=CC(=O)N2[C@@H]1c1ccc(OC)cc1 ZINC000001424728 551669261 /nfs/dbraw/zinc/66/92/61/551669261.db2.gz VKGLBNHOVQCXEO-JOCHJYFZSA-N 0 0 511.987 4.694 50 0 KJAARN CCOC(=O)C1=C(CSc2nc3cc(C)ccc3[nH]2)NC(=O)N[C@H]1c1cc(OCC)ccc1OCC ZINC000001425289 551669295 /nfs/dbraw/zinc/66/92/95/551669295.db2.gz JNYDGMPKXHHFMY-QHCPKHFHSA-N 0 0 510.616 4.632 50 0 KJAARN 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O=C(NC[C@H]1CCCO1)c1nn2c(nc(-c3cc(Br)cs3)cc2C(F)(F)F)c1Br ZINC000001504741 551683272 /nfs/dbraw/zinc/68/32/72/551683272.db2.gz WSFKFFOQNIAHLJ-SECBINFHSA-N 0 0 554.186 4.910 50 0 KJAARN O=C(NC[C@@H]1CCCO1)c1nn2c(nc(-c3cc(Br)cs3)cc2C(F)(F)F)c1Br ZINC000001504748 551683306 /nfs/dbraw/zinc/68/33/06/551683306.db2.gz WSFKFFOQNIAHLJ-VIFPVBQESA-N 0 0 554.186 4.910 50 0 KJAARN CC(C)OC(=O)c1cccc(C(=O)Oc2ccc(OC(=O)c3cccc(C(=O)OC(C)C)n3)c(Cl)c2)n1 ZINC000001505366 551683291 /nfs/dbraw/zinc/68/32/91/551683291.db2.gz XWJCWZRINOIARK-UHFFFAOYSA-N 0 0 526.929 4.699 50 0 KJAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001506120 551683268 /nfs/dbraw/zinc/68/32/68/551683268.db2.gz UFFXOXQFYXYLJI-UHFFFAOYSA-N 0 0 505.621 4.750 50 0 KJAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C(=O)c2ccccc2)c1 ZINC000001507979 551683313 /nfs/dbraw/zinc/68/33/13/551683313.db2.gz XGPCMDQILYPWCB-UHFFFAOYSA-N 0 0 583.666 4.752 50 0 KJAARN CCOC(=O)COc1ccc2c(c1)oc(C(=O)OCC)c(-c1ccc3oc(C(=O)OCC)cc3c1)c2=O ZINC000001508626 551683331 /nfs/dbraw/zinc/68/33/31/551683331.db2.gz JSGLDJUODVLDIW-UHFFFAOYSA-N 0 0 508.479 4.502 50 0 biogenic KJAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C(=O)c2ccccc2)c1 ZINC000001508679 551683321 /nfs/dbraw/zinc/68/33/21/551683321.db2.gz NPLIMBYLEAZWNX-UHFFFAOYSA-N 0 0 541.629 4.981 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000001509671 551683483 /nfs/dbraw/zinc/68/34/83/551683483.db2.gz LNJPNGHIQLJDQS-SANMLTNESA-N 0 0 524.042 4.699 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000001509676 551683491 /nfs/dbraw/zinc/68/34/91/551683491.db2.gz LNJPNGHIQLJDQS-AREMUKBSSA-N 0 0 524.042 4.699 50 0 KJAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001513081 551683468 /nfs/dbraw/zinc/68/34/68/551683468.db2.gz PFPPUHHSEJEEHB-UHFFFAOYSA-N 0 0 563.857 4.607 50 0 KJAARN COc1cc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000001514295 551683453 /nfs/dbraw/zinc/68/34/53/551683453.db2.gz CGYULJQJTXNCEB-UHFFFAOYSA-N 0 0 516.594 4.953 50 0 KJAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001514342 551683487 /nfs/dbraw/zinc/68/34/87/551683487.db2.gz WDBZIMQBTBAHIK-UHFFFAOYSA-N 0 0 505.621 4.750 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001515526 551683509 /nfs/dbraw/zinc/68/35/09/551683509.db2.gz UVQDBPUPFWRAKN-QYVRTBTHSA-N 0 0 586.710 4.546 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001515528 551683488 /nfs/dbraw/zinc/68/34/88/551683488.db2.gz UVQDBPUPFWRAKN-AGTZKDDFSA-N 0 0 586.710 4.546 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001515530 551683508 /nfs/dbraw/zinc/68/35/08/551683508.db2.gz UVQDBPUPFWRAKN-RAWLKHAVSA-N 0 0 586.710 4.546 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C(C)=O)c4nc5ccc(N)cc5s4)cc3n2)cc1 ZINC000001516040 551683725 /nfs/dbraw/zinc/68/37/25/551683725.db2.gz QCHFRGQSFWBOEJ-UHFFFAOYSA-N 0 0 526.500 4.809 50 0 KJAARN O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001516379 551683708 /nfs/dbraw/zinc/68/37/08/551683708.db2.gz CTAGTDVMDRRGGR-UHFFFAOYSA-N 0 0 553.447 4.842 50 0 KJAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1nc[nH]c1C(=O)N1CCCCC1 ZINC000001516559 551683792 /nfs/dbraw/zinc/68/37/92/551683792.db2.gz SHVUFOKXTOQPAU-UHFFFAOYSA-N 0 0 515.795 4.935 50 0 KJAARN COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(C(C)=O)cc4)c3n2)cc(OC)c1OC ZINC000001517183 551683832 /nfs/dbraw/zinc/68/38/32/551683832.db2.gz QYOBMRIRQLASKX-UHFFFAOYSA-N 0 0 514.460 4.896 50 0 KJAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n2)cc1OC ZINC000001518314 551683807 /nfs/dbraw/zinc/68/38/07/551683807.db2.gz DJABNCYAPXXFMX-UHFFFAOYSA-N 0 0 509.609 4.905 50 0 KJAARN O=C(NC(=S)Nc1ccc(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000001720681 551690665 /nfs/dbraw/zinc/69/06/65/551690665.db2.gz BGUPIHQRGONFDU-UHFFFAOYSA-N 0 0 574.709 4.773 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000001739225 551691260 /nfs/dbraw/zinc/69/12/60/551691260.db2.gz PMXXWRCJBIWUMQ-RWTNITNYSA-N 0 0 555.439 4.984 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000001739230 551691264 /nfs/dbraw/zinc/69/12/64/551691264.db2.gz PMXXWRCJBIWUMQ-MFUBYVTQSA-N 0 0 555.439 4.984 50 0 KJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000001744422 551691822 /nfs/dbraw/zinc/69/18/22/551691822.db2.gz VZGAGAVLYZDSNF-FGZHOGPDSA-N 0 0 518.620 4.570 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000001746536 551692200 /nfs/dbraw/zinc/69/22/00/551692200.db2.gz NCENCSHDVIVKLW-UHFFFAOYSA-N 0 0 505.643 4.634 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)CSc1nc(C)nc2sc3c(c21)CCCC3 ZINC000001746564 551692109 /nfs/dbraw/zinc/69/21/09/551692109.db2.gz KOMOOWDYJJTEJP-UHFFFAOYSA-N 0 0 519.670 4.943 50 0 KJAARN NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)sc2c1CCCC2 ZINC000001746972 551692131 /nfs/dbraw/zinc/69/21/31/551692131.db2.gz PPKGXNXDOHKMIZ-OVCLIPMQSA-N 0 0 510.424 4.708 50 0 KJAARN CCOC(=O)c1sc(NC(=O)COc2ccc(Br)cc2Br)c(C(=O)OCC)c1C ZINC000001749339 551692743 /nfs/dbraw/zinc/69/27/43/551692743.db2.gz UTGMGISXICXGEZ-UHFFFAOYSA-N 0 0 549.237 4.952 50 0 KJAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 ZINC000001750173 551692815 /nfs/dbraw/zinc/69/28/15/551692815.db2.gz GXIJZJQOZZDXLV-UHFFFAOYSA-N 0 0 504.004 4.688 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 ZINC000001750174 551692811 /nfs/dbraw/zinc/69/28/11/551692811.db2.gz ULZMIESGBGYLOA-DEOSSOPVSA-N 0 0 538.021 4.739 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 ZINC000001750175 551692785 /nfs/dbraw/zinc/69/27/85/551692785.db2.gz ULZMIESGBGYLOA-XMMPIXPASA-N 0 0 538.021 4.739 50 0 KJAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001750188 551692750 /nfs/dbraw/zinc/69/27/50/551692750.db2.gz OICNDWHYEQHTJF-CMJOXMDJSA-N 0 0 504.004 4.542 50 0 KJAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000001751482 551693376 /nfs/dbraw/zinc/69/33/76/551693376.db2.gz QBIOAVNEPHSYDZ-ORDRXGECSA-N 0 0 557.716 4.613 50 0 KJAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000001751491 551693355 /nfs/dbraw/zinc/69/33/55/551693355.db2.gz QBIOAVNEPHSYDZ-PIJNJCDPSA-N 0 0 557.716 4.613 50 0 KJAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001751751 551693408 /nfs/dbraw/zinc/69/34/08/551693408.db2.gz GSNXHOGGVFKKQF-FQEVSTJZSA-N 0 0 527.595 4.783 50 0 KJAARN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001751754 551693334 /nfs/dbraw/zinc/69/33/34/551693334.db2.gz GSNXHOGGVFKKQF-HXUWFJFHSA-N 0 0 527.595 4.783 50 0 KJAARN COc1ccccc1NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)CC(C)(C)OC3 ZINC000001752585 551693396 /nfs/dbraw/zinc/69/33/96/551693396.db2.gz FJRASVWPCJTOEG-UHFFFAOYSA-N 0 0 561.689 4.994 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000001764980 551694880 /nfs/dbraw/zinc/69/48/80/551694880.db2.gz SFCAMCBREFPCDJ-CLNXTWJPSA-N 0 0 576.678 4.660 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000001764986 551694845 /nfs/dbraw/zinc/69/48/45/551694845.db2.gz SFCAMCBREFPCDJ-ZHGFHMGHSA-N 0 0 576.678 4.660 50 0 KJAARN CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000001770229 551695802 /nfs/dbraw/zinc/69/58/02/551695802.db2.gz KMLVQXBWLDKBAX-CQSZACIVSA-N 0 0 510.461 4.843 50 0 KJAARN CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000001770230 551695778 /nfs/dbraw/zinc/69/57/78/551695778.db2.gz KMLVQXBWLDKBAX-AWEZNQCLSA-N 0 0 510.461 4.843 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2ncnc3sc4c(c32)CCC4)c(C(=O)OCC)c1C ZINC000001772294 551696757 /nfs/dbraw/zinc/69/67/57/551696757.db2.gz INIHHQRZBLOOPC-UHFFFAOYSA-N 0 0 505.643 4.634 50 0 KJAARN COc1ccc(-n2c3nnc(S[C@@H](C)C(=O)NCc4ccccc4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001775171 551697303 /nfs/dbraw/zinc/69/73/03/551697303.db2.gz CAOHITLBQKSZKF-FDDCHVKYSA-N 0 0 589.743 4.998 50 0 KJAARN COc1ccc(-n2c3nnc(S[C@@H](C)C(=O)NCc4ccccc4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001775173 551697270 /nfs/dbraw/zinc/69/72/70/551697270.db2.gz CAOHITLBQKSZKF-MBSDFSHPSA-N 0 0 589.743 4.998 50 0 KJAARN COc1ccc(-n2c3nnc(S[C@H](C)C(=O)NCc4ccccc4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001775176 551697290 /nfs/dbraw/zinc/69/72/90/551697290.db2.gz CAOHITLBQKSZKF-WZONZLPQSA-N 0 0 589.743 4.998 50 0 KJAARN COc1ccc(-n2c3nnc(S[C@H](C)C(=O)NCc4ccccc4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001775178 551697280 /nfs/dbraw/zinc/69/72/80/551697280.db2.gz CAOHITLBQKSZKF-JPYJTQIMSA-N 0 0 589.743 4.998 50 0 KJAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001775975 551697311 /nfs/dbraw/zinc/69/73/11/551697311.db2.gz OICNDWHYEQHTJF-WNSKOXEYSA-N 0 0 504.004 4.542 50 0 KJAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001775976 551697258 /nfs/dbraw/zinc/69/72/58/551697258.db2.gz OICNDWHYEQHTJF-IQMFZBJNSA-N 0 0 504.004 4.542 50 0 KJAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001775978 551697544 /nfs/dbraw/zinc/69/75/44/551697544.db2.gz OICNDWHYEQHTJF-NPMXOYFQSA-N 0 0 504.004 4.542 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 ZINC000001775979 551697525 /nfs/dbraw/zinc/69/75/25/551697525.db2.gz BKOGFCRLNWQZHN-NRFANRHFSA-N 0 0 504.004 4.542 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 ZINC000001775982 551697524 /nfs/dbraw/zinc/69/75/24/551697524.db2.gz BKOGFCRLNWQZHN-OAQYLSRUSA-N 0 0 504.004 4.542 50 0 KJAARN COc1cc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)ccc1OCCC(C)C ZINC000001775993 551697532 /nfs/dbraw/zinc/69/75/32/551697532.db2.gz XMTCCRMBUQOZBX-DEDYPNTBSA-N 0 0 500.418 4.562 50 0 KJAARN NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)sc2c1CCCC2 ZINC000001776430 551697547 /nfs/dbraw/zinc/69/75/47/551697547.db2.gz BGEXWWNTAUPFRU-VIZOYTHASA-N 0 0 510.424 4.708 50 0 KJAARN NC(=O)c1c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)sc2c1CCCC2 ZINC000001776431 551697542 /nfs/dbraw/zinc/69/75/42/551697542.db2.gz BGEXWWNTAUPFRU-CHHVJCJISA-N 0 0 510.424 4.708 50 0 KJAARN COc1cc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)cc(OC)c1OC ZINC000001779643 551698131 /nfs/dbraw/zinc/69/81/31/551698131.db2.gz SAACLAVPNINYIK-UHFFFAOYSA-N 0 0 524.520 4.714 50 0 KJAARN CCOC(=O)CSc1nnc2n1c1c(c(=O)n2-c2cccc(OC)c2)C2(CCCCC2)Cc2ccccc2-1 ZINC000001782897 551698515 /nfs/dbraw/zinc/69/85/15/551698515.db2.gz ODKHYUVNJRTOMO-UHFFFAOYSA-N 0 0 530.650 4.969 50 0 biogenic KJAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nnc3sc4c(c3c1=O)CC[C@H](C(C)(C)C)C4)CCCC2 ZINC000001784887 551698869 /nfs/dbraw/zinc/69/88/69/551698869.db2.gz YCPMWNPTOGOQBQ-AWEZNQCLSA-N 0 0 528.700 4.760 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nnc3sc4c(c3c1=O)CC[C@@H](C(C)(C)C)C4)CCCC2 ZINC000001784889 551698972 /nfs/dbraw/zinc/69/89/72/551698972.db2.gz YCPMWNPTOGOQBQ-CQSZACIVSA-N 0 0 528.700 4.760 50 0 KJAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)cc1 ZINC000001785307 551699571 /nfs/dbraw/zinc/69/95/71/551699571.db2.gz VOPLKOPWCUQMOL-MRXNPFEDSA-N 0 0 507.612 4.783 50 0 KJAARN CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)cc1 ZINC000001785308 551699564 /nfs/dbraw/zinc/69/95/64/551699564.db2.gz VOPLKOPWCUQMOL-INIZCTEOSA-N 0 0 507.612 4.783 50 0 KJAARN Cc1cc(C)nc(SC2=C(Nc3ccc(C(=O)OC(C)C)cc3)C(=O)N(CCc3ccccc3)C2=O)n1 ZINC000001785663 551699931 /nfs/dbraw/zinc/69/99/31/551699931.db2.gz PRVXKEFSQVQWPQ-UHFFFAOYSA-N 0 0 516.623 4.686 50 0 KJAARN Cc1cc(C)nc(SC2=C(Nc3ccc(I)cc3)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000001785678 551699921 /nfs/dbraw/zinc/69/99/21/551699921.db2.gz BJFOXJMLHDOPGF-UHFFFAOYSA-N 0 0 542.402 4.683 50 0 KJAARN Cc1cc(C)nc(SC2=C(Nc3ccc(I)cc3C)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000001785683 551699914 /nfs/dbraw/zinc/69/99/14/551699914.db2.gz BXGQHYUEGOGUHN-UHFFFAOYSA-N 0 0 556.429 4.991 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)c1 ZINC000001785727 551700205 /nfs/dbraw/zinc/70/02/05/551700205.db2.gz LJHOYGIIAPMPMN-UHFFFAOYSA-N 0 0 517.969 4.589 50 0 KJAARN CC(C)OC(=O)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)c1 ZINC000001785728 551700200 /nfs/dbraw/zinc/70/02/00/551700200.db2.gz DTCFUYZPZVCXDZ-UHFFFAOYSA-N 0 0 531.996 4.978 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)cc1 ZINC000001785733 551700192 /nfs/dbraw/zinc/70/01/92/551700192.db2.gz LFJQEBXTSHOWPV-UHFFFAOYSA-N 0 0 517.969 4.589 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)cc1 ZINC000001785734 551700152 /nfs/dbraw/zinc/70/01/52/551700152.db2.gz TVUBJGNXFIYGHS-UHFFFAOYSA-N 0 0 531.996 4.980 50 0 KJAARN CC(C)OC(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)cc1 ZINC000001785735 551700160 /nfs/dbraw/zinc/70/01/60/551700160.db2.gz YGKNJJXYYRKREO-UHFFFAOYSA-N 0 0 531.996 4.978 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 ZINC000001785765 551700179 /nfs/dbraw/zinc/70/01/79/551700179.db2.gz XZMLSLNIMYHZFU-UHFFFAOYSA-N 0 0 517.969 4.589 50 0 KJAARN CCCOC(=O)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1 ZINC000001785782 551700213 /nfs/dbraw/zinc/70/02/13/551700213.db2.gz LLABLZISVHRTHX-UHFFFAOYSA-N 0 0 517.969 4.937 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1 ZINC000001785785 551700159 /nfs/dbraw/zinc/70/01/59/551700159.db2.gz BMNCWSXRSRWSPY-UHFFFAOYSA-N 0 0 517.969 4.937 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)cc2)c1 ZINC000001785828 551700325 /nfs/dbraw/zinc/70/03/25/551700325.db2.gz XKOGUHBPODSBSO-UHFFFAOYSA-N 0 0 517.969 4.589 50 0 KJAARN CCCOC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000001785855 551700370 /nfs/dbraw/zinc/70/03/70/551700370.db2.gz LAVJXSFMWLTZBX-UHFFFAOYSA-N 0 0 517.969 4.937 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000001785859 551700368 /nfs/dbraw/zinc/70/03/68/551700368.db2.gz LPFVFBMHVSAVAK-UHFFFAOYSA-N 0 0 517.969 4.937 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2c(C(=O)Nc3ccc(F)cc3)sc3nc(CCC)cc(=O)n32)cc1 ZINC000001785893 551700491 /nfs/dbraw/zinc/70/04/91/551700491.db2.gz DFOQTIPTQDTTSK-UHFFFAOYSA-N 0 0 536.585 4.919 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000001785895 551700475 /nfs/dbraw/zinc/70/04/75/551700475.db2.gz YMBJNODTUOYDSJ-UHFFFAOYSA-N 0 0 536.585 4.917 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000001785896 551700454 /nfs/dbraw/zinc/70/04/54/551700454.db2.gz VDIQXGSGRWRMKO-UHFFFAOYSA-N 0 0 522.558 4.529 50 0 KJAARN CCCOC(=O)c1cccc(NC(=O)c2c(C(=O)Nc3ccc(F)cc3)sc3nc(CCC)cc(=O)n32)c1 ZINC000001785898 551700527 /nfs/dbraw/zinc/70/05/27/551700527.db2.gz RNAZRNAHIDHDQW-UHFFFAOYSA-N 0 0 536.585 4.919 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(F)cc1)c2C(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000001785901 551700505 /nfs/dbraw/zinc/70/05/05/551700505.db2.gz WNVOITREHGJDJL-UHFFFAOYSA-N 0 0 536.585 4.917 50 0 KJAARN CCCCOC(=O)c1ccc(NC(=O)c2c(C(=O)Nc3ccc(F)cc3)sc3nc(C)cc(=O)n32)cc1 ZINC000001785928 551700468 /nfs/dbraw/zinc/70/04/68/551700468.db2.gz LFZZASLVUXTZFY-UHFFFAOYSA-N 0 0 522.558 4.665 50 0 KJAARN CCCCOC(=O)c1cccc(NC(=O)c2c(C(=O)Nc3ccc(F)cc3)sc3nc(C)cc(=O)n32)c1 ZINC000001785987 551700450 /nfs/dbraw/zinc/70/04/50/551700450.db2.gz XAEDLOZIKNEQRK-UHFFFAOYSA-N 0 0 522.558 4.665 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000001786024 551700670 /nfs/dbraw/zinc/70/06/70/551700670.db2.gz PTMWUFSUBLXCGH-UHFFFAOYSA-N 0 0 518.595 4.753 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(CC)cc2)cc1 ZINC000001786034 551700674 /nfs/dbraw/zinc/70/06/74/551700674.db2.gz OIPVWQJKLQBFDU-UHFFFAOYSA-N 0 0 518.595 4.698 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000001786035 551700708 /nfs/dbraw/zinc/70/07/08/551700708.db2.gz CQCXCWYGLZDGHF-UHFFFAOYSA-N 0 0 518.595 4.753 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2cccc(C)c2C)cc1 ZINC000001786036 551700669 /nfs/dbraw/zinc/70/06/69/551700669.db2.gz ATHDFIZDZOFXFS-UHFFFAOYSA-N 0 0 518.595 4.753 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001786041 551700691 /nfs/dbraw/zinc/70/06/91/551700691.db2.gz AJRHINRLGBXPOJ-UHFFFAOYSA-N 0 0 524.986 4.789 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000001786048 551700666 /nfs/dbraw/zinc/70/06/66/551700666.db2.gz IWQRTJFPDBBJBF-UHFFFAOYSA-N 0 0 534.594 4.535 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccccc2OCC)cc1 ZINC000001786049 551700695 /nfs/dbraw/zinc/70/06/95/551700695.db2.gz AJZGXHHESHBUAZ-UHFFFAOYSA-N 0 0 534.594 4.535 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 ZINC000001787967 551701075 /nfs/dbraw/zinc/70/10/75/551701075.db2.gz DSPMTVICNFMIIB-QFIPXVFZSA-N 0 0 518.031 4.932 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 ZINC000001787968 551701089 /nfs/dbraw/zinc/70/10/89/551701089.db2.gz DSPMTVICNFMIIB-JOCHJYFZSA-N 0 0 518.031 4.932 50 0 KJAARN COc1cccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3CCc2ccccc2)CC(C)(C)OC4)c1 ZINC000001788925 551701315 /nfs/dbraw/zinc/70/13/15/551701315.db2.gz JPPYNUUECYBVIC-UHFFFAOYSA-N 0 0 575.716 4.939 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000001790938 551701445 /nfs/dbraw/zinc/70/14/45/551701445.db2.gz FSCYPHYXKKLAOY-OXWVMCNISA-N 0 0 554.624 4.516 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000001790942 551701448 /nfs/dbraw/zinc/70/14/48/551701448.db2.gz FSCYPHYXKKLAOY-FHMSYZJOSA-N 0 0 554.624 4.516 50 0 KJAARN CCCCc1ccc(N(C(=O)CN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001791985 551701844 /nfs/dbraw/zinc/70/18/44/551701844.db2.gz YMQRHSAAUUCAPZ-UHFFFAOYSA-N 0 0 510.999 4.701 50 0 KJAARN CCOc1ccc(N(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000001792002 551701856 /nfs/dbraw/zinc/70/18/56/551701856.db2.gz XNLBKSGGCWTVCF-UHFFFAOYSA-N 0 0 520.607 4.664 50 0 KJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3c(=O)[nH]nc(-c4ccccc4)c3-c3ccccc3)sc2c1 ZINC000001792158 551701835 /nfs/dbraw/zinc/70/18/35/551701835.db2.gz XCQDFMRMUMLHBA-UHFFFAOYSA-N 0 0 502.577 4.782 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000001794808 551702410 /nfs/dbraw/zinc/70/24/10/551702410.db2.gz AWVBOTHUWOOQID-FCKOQQNDSA-N 0 0 504.995 4.712 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000001794813 551702422 /nfs/dbraw/zinc/70/24/22/551702422.db2.gz AWVBOTHUWOOQID-DLBLZJNESA-N 0 0 504.995 4.712 50 0 KJAARN O=S(=O)(c1ccccc1)N(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1 ZINC000001795179 551702375 /nfs/dbraw/zinc/70/23/75/551702375.db2.gz TYCFPXOEYVZEIZ-UHFFFAOYSA-N 0 0 520.676 4.769 50 0 KJAARN CCCC(=O)N(c1ccc(N(C(=O)CCC)S(=O)(=O)c2cccs2)cc1)S(=O)(=O)c1cccs1 ZINC000001795885 551702648 /nfs/dbraw/zinc/70/26/48/551702648.db2.gz LBVFBHXZZAXSEE-UHFFFAOYSA-N 0 0 540.710 4.854 50 0 KJAARN O=C1C(=O)N(OCc2ccc(Br)cc2)[C@@H]2CCCC[C@H]2N1OCc1ccc(Br)cc1 ZINC000001798668 551703132 /nfs/dbraw/zinc/70/31/32/551703132.db2.gz FABBYUIQYBYMEC-WOJBJXKFSA-N 0 0 538.236 4.757 50 0 KJAARN O=C1C(=O)N(OCc2ccc(Br)cc2)[C@H]2CCCC[C@@H]2N1OCc1ccc(Br)cc1 ZINC000001798674 551703119 /nfs/dbraw/zinc/70/31/19/551703119.db2.gz FABBYUIQYBYMEC-PMACEKPBSA-N 0 0 538.236 4.757 50 0 KJAARN CCOC(=O)CCCSc1nnc(CSc2nc3sc(C)c(C)c3c(=O)[nH]2)n1-c1ccccc1 ZINC000001799239 551703307 /nfs/dbraw/zinc/70/33/07/551703307.db2.gz ZONWKJDGLZZPST-UHFFFAOYSA-N 0 0 515.686 4.910 50 0 KJAARN COc1cccc(CNC(=O)c2c(N)n(-c3ccc(I)cc3)c3nc4ccccc4nc32)c1OC ZINC000001802192 551703780 /nfs/dbraw/zinc/70/37/80/551703780.db2.gz SGMLJBHOONTSDM-UHFFFAOYSA-N 0 0 579.398 4.708 50 0 KJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000001804747 551704360 /nfs/dbraw/zinc/70/43/60/551704360.db2.gz KVKDOMUIEHYMGK-UHFFFAOYSA-N 0 0 551.694 4.619 50 0 KJAARN CCCc1c(C)c2ccc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2oc1=O ZINC000001805018 551704361 /nfs/dbraw/zinc/70/43/61/551704361.db2.gz LIRRRZVNGDMUFZ-AREMUKBSSA-N 0 0 505.592 4.988 50 0 KJAARN CCCc1c(C)c2ccc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2oc1=O ZINC000001805019 551704515 /nfs/dbraw/zinc/70/45/15/551704515.db2.gz LIRRRZVNGDMUFZ-SANMLTNESA-N 0 0 505.592 4.988 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2-c2ccccc2)cc1 ZINC000001805481 551704619 /nfs/dbraw/zinc/70/46/19/551704619.db2.gz QYEFQIQXCAGRCW-UHFFFAOYSA-N 0 0 534.667 4.874 50 0 KJAARN CCOc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(OC)cc4)c(=O)n3n2)cc1 ZINC000001806425 551704700 /nfs/dbraw/zinc/70/47/00/551704700.db2.gz HTTZEEMJZKRBMN-UQQQWYQISA-N 0 0 521.602 4.626 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1 ZINC000001806429 551704706 /nfs/dbraw/zinc/70/47/06/551704706.db2.gz FUOFXDVNJBURSC-UQQQWYQISA-N 0 0 521.602 4.626 50 0 KJAARN CCOc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(OC)c(OC)c4)c(=O)n3n2)cc1 ZINC000001806434 551704721 /nfs/dbraw/zinc/70/47/21/551704721.db2.gz DEDSBIWNRDEDRQ-ONUIUJJFSA-N 0 0 551.628 4.634 50 0 KJAARN COc1ccc(CCNC(=O)c2c(C(=O)Nc3cccc(Cl)c3)sc3nc(=O)c(-c4ccccc4)nn32)cc1OC ZINC000001809216 551705347 /nfs/dbraw/zinc/70/53/47/551705347.db2.gz WAXSABGZRKLJLM-UHFFFAOYSA-N 0 0 590.061 4.713 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C(=O)OCC)c1C ZINC000001811331 551706563 /nfs/dbraw/zinc/70/65/63/551706563.db2.gz PPGLKHPXSRGQEJ-UHFFFAOYSA-N 0 0 512.613 4.645 50 0 KJAARN COc1ccccc1OS(=O)(=O)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000001811400 551706524 /nfs/dbraw/zinc/70/65/24/551706524.db2.gz PHFSUIRQQYQRLK-UHFFFAOYSA-N 0 0 528.677 4.836 50 0 KJAARN CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc32)ccc1C ZINC000001813387 551706803 /nfs/dbraw/zinc/70/68/03/551706803.db2.gz FHIUMPWGKSYVGG-UHFFFAOYSA-N 0 0 555.454 4.953 50 0 KJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N1 ZINC000001813563 551706956 /nfs/dbraw/zinc/70/69/56/551706956.db2.gz FFXZLVOUXUCYSW-DLBLZJNESA-N 0 0 548.437 4.776 50 0 KJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=N1 ZINC000001813565 551706970 /nfs/dbraw/zinc/70/69/70/551706970.db2.gz FFXZLVOUXUCYSW-FCKOQQNDSA-N 0 0 548.437 4.776 50 0 KJAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 ZINC000001813620 551706967 /nfs/dbraw/zinc/70/69/67/551706967.db2.gz VUMSCHMXOAEQDX-UHFFFAOYSA-N 0 0 503.561 4.614 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000001814452 551707220 /nfs/dbraw/zinc/70/72/20/551707220.db2.gz JWYRMYOEQZBWBU-JYWRCUDFSA-N 0 0 507.826 4.759 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000001814454 551707205 /nfs/dbraw/zinc/70/72/05/551707205.db2.gz JWYRMYOEQZBWBU-JZVSFUAJSA-N 0 0 507.826 4.759 50 0 KJAARN O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)c1ccc(Cl)cc1 ZINC000001815564 551707542 /nfs/dbraw/zinc/70/75/42/551707542.db2.gz DRPOIILYAQVOKG-UHFFFAOYSA-N 0 0 584.127 4.527 50 0 KJAARN NC(=O)CSc1nc2c(c(=O)n1-c1cccc(Br)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001817335 551708151 /nfs/dbraw/zinc/70/81/51/551708151.db2.gz YRZSCBFJQWIZBO-UHFFFAOYSA-N 0 0 510.457 4.997 50 0 biogenic KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001818021 551708213 /nfs/dbraw/zinc/70/82/13/551708213.db2.gz UVGMXHAOWVBBKJ-WHNPURCTSA-N 0 0 570.667 4.908 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001818023 551708258 /nfs/dbraw/zinc/70/82/58/551708258.db2.gz UVGMXHAOWVBBKJ-HPFVHPJRSA-N 0 0 570.667 4.908 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000001818246 551708231 /nfs/dbraw/zinc/70/82/31/551708231.db2.gz BTZCLQCJOYYJPV-QCHPHUCNSA-N 0 0 525.413 4.975 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000001818248 551708191 /nfs/dbraw/zinc/70/81/91/551708191.db2.gz BTZCLQCJOYYJPV-VZIOXZNFSA-N 0 0 525.413 4.975 50 0 KJAARN CCOC(=O)Cc1c2c(sc1NC(=O)CSc1nc3sc4c(c3c(N)n1)CCCC4)CCCC2 ZINC000001819644 551708475 /nfs/dbraw/zinc/70/84/75/551708475.db2.gz OXAFBYCJQVRESH-UHFFFAOYSA-N 0 0 516.714 4.929 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000001821397 551708841 /nfs/dbraw/zinc/70/88/41/551708841.db2.gz YKPIECSQOQOSJQ-JQTKYWOZSA-N 0 0 564.642 4.790 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000001821399 551708778 /nfs/dbraw/zinc/70/87/78/551708778.db2.gz YKPIECSQOQOSJQ-GBIJUZDQSA-N 0 0 564.642 4.790 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n32)cc1 ZINC000001823329 551709090 /nfs/dbraw/zinc/70/90/90/551709090.db2.gz AYNWNRKCRRKMFY-ZRELAVNMSA-N 0 0 517.434 4.502 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n32)cc1 ZINC000001823331 551709086 /nfs/dbraw/zinc/70/90/86/551709086.db2.gz AYNWNRKCRRKMFY-AFHVAHMMSA-N 0 0 517.434 4.502 50 0 KJAARN O=C1c2ccccc2[C@]2(c3ccccc3)N(C(=S)NP(=O)(OCC(F)(F)F)OCC(F)(F)F)CCN12 ZINC000001823554 551709376 /nfs/dbraw/zinc/70/93/76/551709376.db2.gz HKHHDUCGDZJRNN-NRFANRHFSA-N 0 0 553.421 4.800 50 0 KJAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001824721 551709756 /nfs/dbraw/zinc/70/97/56/551709756.db2.gz UWYGGWWMRUCIEG-LWUPDDLQSA-N 0 0 569.466 4.992 50 0 KJAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001824723 551709733 /nfs/dbraw/zinc/70/97/33/551709733.db2.gz UWYGGWWMRUCIEG-GJFKPFFXSA-N 0 0 569.466 4.992 50 0 KJAARN CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2n1 ZINC000001826804 551710342 /nfs/dbraw/zinc/71/03/42/551710342.db2.gz MNZMKFWJFSBOID-IWIPYMOSSA-N 0 0 540.004 4.797 50 0 KJAARN COc1cccc(-c2nnc(SCC(=O)Nc3c(Br)cc(Br)cc3Br)n2N)c1 ZINC000001828129 551710594 /nfs/dbraw/zinc/71/05/94/551710594.db2.gz HSDKEGUOBNAMAT-UHFFFAOYSA-N 0 0 592.111 4.686 50 0 KJAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(C)cc3)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000001829951 551710983 /nfs/dbraw/zinc/71/09/83/551710983.db2.gz WZGZKIVDMNPZED-DBXPASCUSA-N 0 0 556.640 4.543 50 0 KJAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(C)cc3)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000001829953 551711221 /nfs/dbraw/zinc/71/12/21/551711221.db2.gz WZGZKIVDMNPZED-CMISJSSVSA-N 0 0 556.640 4.543 50 0 KJAARN COc1ccccc1NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(C)(C)OC3 ZINC000001830665 551711199 /nfs/dbraw/zinc/71/11/99/551711199.db2.gz ONDZPYDZLJNWAY-UHFFFAOYSA-N 0 0 575.716 4.939 50 0 KJAARN COc1ccc(-n2c3nnc(SCC(=O)Nc4ccccc4OC)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001831012 551711168 /nfs/dbraw/zinc/71/11/68/551711168.db2.gz XPXXBCGOHGYTQW-JOCHJYFZSA-N 0 0 591.715 4.940 50 0 KJAARN COc1ccc(-n2c3nnc(SCC(=O)Nc4ccccc4OC)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001831013 551711245 /nfs/dbraw/zinc/71/12/45/551711245.db2.gz XPXXBCGOHGYTQW-QFIPXVFZSA-N 0 0 591.715 4.940 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000001833192 551711673 /nfs/dbraw/zinc/71/16/73/551711673.db2.gz RGWFKJWBINJETL-LRUGRNCASA-N 0 0 597.096 4.923 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000001833194 551711971 /nfs/dbraw/zinc/71/19/71/551711971.db2.gz RGWFKJWBINJETL-FQWZWQHVSA-N 0 0 597.096 4.923 50 0 KJAARN CCOC(=O)CSc1nnc2n1c1c(c(=O)n2-c2ccccc2OC)C2(CCCCC2)Cc2ccccc2-1 ZINC000001836265 551712450 /nfs/dbraw/zinc/71/24/50/551712450.db2.gz GVYOFTPXODNIOS-UHFFFAOYSA-N 0 0 530.650 4.969 50 0 KJAARN CCOc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n21)CC(C)(C)OC3 ZINC000001836669 551712671 /nfs/dbraw/zinc/71/26/71/551712671.db2.gz MKJMTUIYEKDVQV-UHFFFAOYSA-N 0 0 511.629 4.522 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n32)cc1 ZINC000001837603 551712852 /nfs/dbraw/zinc/71/28/52/551712852.db2.gz MZNHZBHJJBVSAR-VMOHIOPYSA-N 0 0 517.434 4.502 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n32)cc1 ZINC000001837605 551712830 /nfs/dbraw/zinc/71/28/30/551712830.db2.gz MZNHZBHJJBVSAR-IYMWYRQMSA-N 0 0 517.434 4.502 50 0 KJAARN Cc1nnc(NC(=O)c2cn(C3CC3)c3cc(N4CCN(C(=O)c5cccc(Cl)c5)CC4)c(F)cc3c2=O)s1 ZINC000001838365 551713014 /nfs/dbraw/zinc/71/30/14/551713014.db2.gz JHWUYHXVWLCDRO-UHFFFAOYSA-N 0 0 567.046 4.504 50 0 KJAARN O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001842336 551714181 /nfs/dbraw/zinc/71/41/81/551714181.db2.gz RLWGDICQSGNZEK-UHFFFAOYSA-N 0 0 524.455 4.665 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000001845200 551714612 /nfs/dbraw/zinc/71/46/12/551714612.db2.gz VCDXSGHHMPFQFU-CLNXTWJPSA-N 0 0 576.678 4.660 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000001845205 551714698 /nfs/dbraw/zinc/71/46/98/551714698.db2.gz VCDXSGHHMPFQFU-ZHGFHMGHSA-N 0 0 576.678 4.660 50 0 KJAARN CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3ccc(Br)cc3)nc2N)cc1 ZINC000001857537 551716469 /nfs/dbraw/zinc/71/64/69/551716469.db2.gz TXXLUFIXKKNSKM-UHFFFAOYSA-N 0 0 506.451 4.537 50 0 KJAARN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N6CCCCC6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000001868826 551718794 /nfs/dbraw/zinc/71/87/94/551718794.db2.gz MZNIQJORWNYDBX-CLNXTWJPSA-N 0 0 553.684 4.919 50 0 KJAARN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(N6CCCCC6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000001868828 551718764 /nfs/dbraw/zinc/71/87/64/551718764.db2.gz MZNIQJORWNYDBX-ZHGFHMGHSA-N 0 0 553.684 4.919 50 0 KJAARN COc1ccccc1NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)C[C@H](C(C)C)OC3 ZINC000001869608 551719219 /nfs/dbraw/zinc/71/92/19/551719219.db2.gz YPWKLHDTMVEJBR-OAQYLSRUSA-N 0 0 561.689 4.932 50 0 KJAARN COc1ccccc1NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001869609 551719176 /nfs/dbraw/zinc/71/91/76/551719176.db2.gz YPWKLHDTMVEJBR-NRFANRHFSA-N 0 0 561.689 4.932 50 0 KJAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OC(C)C)c(C)c4)sc3nc2=O)cc1 ZINC000001871717 551719866 /nfs/dbraw/zinc/71/98/66/551719866.db2.gz SISDVRRTZNAPNZ-MIXAMLLLSA-N 0 0 591.693 4.607 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000001872421 551720134 /nfs/dbraw/zinc/72/01/34/551720134.db2.gz UIYCCQJUXHUHOW-CLNXTWJPSA-N 0 0 560.679 4.959 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000001872423 551720131 /nfs/dbraw/zinc/72/01/31/551720131.db2.gz UIYCCQJUXHUHOW-ZHGFHMGHSA-N 0 0 560.679 4.959 50 0 KJAARN Cc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OCC(C)C)cc4)sc3nc2=O)cc1 ZINC000001872780 551720290 /nfs/dbraw/zinc/72/02/90/551720290.db2.gz UMNYZYFHRSCRDT-MIXAMLLLSA-N 0 0 575.694 4.846 50 0 KJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3c(Br)cc(Br)cc3Br)n2N)c1 ZINC000001872792 551720341 /nfs/dbraw/zinc/72/03/41/551720341.db2.gz OTKOPTZOOSFDDQ-UHFFFAOYSA-N 0 0 576.112 4.986 50 0 KJAARN COc1ccccc1CCNC(=O)c1c(N)n(-c2ccc(I)cc2)c2nc3ccccc3nc21 ZINC000001874419 551721169 /nfs/dbraw/zinc/72/11/69/551721169.db2.gz JLZWVLISASAVRY-UHFFFAOYSA-N 0 0 563.399 4.742 50 0 KJAARN CCCCOc1ccc(CNC(=O)CCSc2nc3sc4c(c3c(=O)[nH]2)CC(C)(C)OC4)cc1 ZINC000001875870 551722277 /nfs/dbraw/zinc/72/22/77/551722277.db2.gz DIOQXRMYDGUMNL-UHFFFAOYSA-N 0 0 501.674 4.813 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2cccc(C)c2)CC(C)(C)OC4)cc1 ZINC000001876563 551722710 /nfs/dbraw/zinc/72/27/10/551722710.db2.gz CUWKKZPPMZUZGM-UHFFFAOYSA-N 0 0 561.689 4.994 50 0 KJAARN COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(I)cc3)c3nc4ccccc4nc32)cc1 ZINC000001876771 551722705 /nfs/dbraw/zinc/72/27/05/551722705.db2.gz KEAMSJOLNOANBY-UHFFFAOYSA-N 0 0 563.399 4.742 50 0 KJAARN Nn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1ccc(F)cc1 ZINC000001876846 551722943 /nfs/dbraw/zinc/72/29/43/551722943.db2.gz WUNSXDKJFGLESJ-UHFFFAOYSA-N 0 0 580.075 4.816 50 0 KJAARN Cc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc5ccccc5c4)sc3nc2=O)cc1 ZINC000001878844 551723608 /nfs/dbraw/zinc/72/36/08/551723608.db2.gz PLTSGYDQRWKWJZ-CEUNXORHSA-N 0 0 553.647 4.964 50 0 KJAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc5ccccc5c4)sc3nc2=O)cc1 ZINC000001879281 551723832 /nfs/dbraw/zinc/72/38/32/551723832.db2.gz DFSJWRAEBQUKGX-CEUNXORHSA-N 0 0 569.646 4.664 50 0 KJAARN Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)NCc4ccccc4)sc3c2)nnc1-c1cccc(N)c1 ZINC000001880506 551723996 /nfs/dbraw/zinc/72/39/96/551723996.db2.gz SMJWSHAYZSKNLG-UHFFFAOYSA-N 0 0 575.745 4.813 50 0 KJAARN Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)NCc4ccccc4)sc3c2)nnc1-c1ccc(N)cc1 ZINC000001884777 551725278 /nfs/dbraw/zinc/72/52/78/551725278.db2.gz MAUIJEKLJODSIK-UHFFFAOYSA-N 0 0 575.745 4.813 50 0 KJAARN Nn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1ccccc1 ZINC000001885640 551725476 /nfs/dbraw/zinc/72/54/76/551725476.db2.gz PWADVXHTZKCUIH-UHFFFAOYSA-N 0 0 562.085 4.677 50 0 KJAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 ZINC000001886001 551725670 /nfs/dbraw/zinc/72/56/70/551725670.db2.gz WONSVQAKURBLPE-UHFFFAOYSA-N 0 0 559.702 4.684 50 0 KJAARN Cc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OC(C)C)c(C)c4)sc3nc2=O)cc1 ZINC000001889841 551726260 /nfs/dbraw/zinc/72/62/60/551726260.db2.gz BEVOEDHAIKHACF-MIXAMLLLSA-N 0 0 575.694 4.906 50 0 KJAARN CC(=O)c1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CC(C)(C)OC4)cc1 ZINC000001890923 551726517 /nfs/dbraw/zinc/72/65/17/551726517.db2.gz GFGKPWNDLOHCKF-UHFFFAOYSA-N 0 0 559.673 4.880 50 0 KJAARN COc1cc(C(=O)Oc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)cc(=O)c3c2)cc(OC)c1OC ZINC000001892613 551726928 /nfs/dbraw/zinc/72/69/28/551726928.db2.gz PDIXUTNEWPJMFN-UHFFFAOYSA-N 0 0 522.506 4.731 50 0 KJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1cnc2scc(-c3ccc(OC)c(OC)c3)c2c1=O ZINC000001892839 551726934 /nfs/dbraw/zinc/72/69/34/551726934.db2.gz FEJKDKOPGOHDMT-UHFFFAOYSA-N 0 0 527.624 4.636 50 0 KJAARN O=C(c1cc2ccccc2oc1=O)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F ZINC000001893755 551727159 /nfs/dbraw/zinc/72/71/59/551727159.db2.gz ZFOZCUIYBCZKKE-UHFFFAOYSA-N 0 0 502.473 4.794 50 0 KJAARN COc1ccc(CC(=O)N[C@@H](c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000001894633 551727157 /nfs/dbraw/zinc/72/71/57/551727157.db2.gz KNZGEXZDLQHESX-MHZLTWQESA-N 0 0 560.441 4.949 50 0 KJAARN COc1ccc(CC(=O)N[C@H](c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000001894636 551727133 /nfs/dbraw/zinc/72/71/33/551727133.db2.gz KNZGEXZDLQHESX-HHHXNRCGSA-N 0 0 560.441 4.949 50 0 KJAARN COC(=O)c1sc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(C(=O)OC)c1C ZINC000001895060 551727330 /nfs/dbraw/zinc/72/73/30/551727330.db2.gz CEAYPVQNYDIEDU-UHFFFAOYSA-N 0 0 583.713 5.000 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)CSc1nc(C)nc2sc3c(c21)CCC3 ZINC000001895937 551727717 /nfs/dbraw/zinc/72/77/17/551727717.db2.gz LDBKLLRSIABIPG-UHFFFAOYSA-N 0 0 505.643 4.552 50 0 KJAARN COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc(Br)c1-c1ccccc1 ZINC000001896022 551727727 /nfs/dbraw/zinc/72/77/27/551727727.db2.gz RTVFIEVWLFRHTR-UHFFFAOYSA-N 0 0 530.429 4.671 50 0 KJAARN CCOC(=O)c1cc(NC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)cc(C(=O)OCC)c1 ZINC000001896177 551728077 /nfs/dbraw/zinc/72/80/77/551728077.db2.gz BXSKMERTALZTTE-UHFFFAOYSA-N 0 0 513.641 4.963 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000001897136 551728615 /nfs/dbraw/zinc/72/86/15/551728615.db2.gz FUWUCZKBXFKMCV-IBYCJETLSA-N 0 0 573.099 4.976 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000001897138 551728634 /nfs/dbraw/zinc/72/86/34/551728634.db2.gz FUWUCZKBXFKMCV-OFCKJYIJSA-N 0 0 573.099 4.976 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](NC(=O)Oc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000001898419 551729418 /nfs/dbraw/zinc/72/94/18/551729418.db2.gz QLTZWCCXSVPUBM-INIZCTEOSA-N 0 0 563.674 4.758 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](NC(=O)Oc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000001898420 551729347 /nfs/dbraw/zinc/72/93/47/551729347.db2.gz QLTZWCCXSVPUBM-MRXNPFEDSA-N 0 0 563.674 4.758 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC2(CCCCC2)OC3=O)cc1OC ZINC000001898998 551729792 /nfs/dbraw/zinc/72/97/92/551729792.db2.gz VTNNDIVEQRISJU-JIMJEQGWSA-N 0 0 576.646 4.649 50 0 KJAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)cc1 ZINC000001900158 551730485 /nfs/dbraw/zinc/73/04/85/551730485.db2.gz ZIZFCPKSGQPCEM-UHFFFAOYSA-N 0 0 521.591 4.918 50 0 biogenic KJAARN CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)c(=O)n2n1 ZINC000001901682 551731268 /nfs/dbraw/zinc/73/12/68/551731268.db2.gz VNIWLIOCMVENTD-IWIPYMOSSA-N 0 0 584.455 4.906 50 0 KJAARN CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3cccc(Br)c3)c3ccccc32)ccc1C ZINC000001901813 551731274 /nfs/dbraw/zinc/73/12/74/551731274.db2.gz YLBYINCLGLVTMJ-UHFFFAOYSA-N 0 0 555.454 4.953 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccccc1CC ZINC000001906813 551732640 /nfs/dbraw/zinc/73/26/40/551732640.db2.gz NQONKWURVZDCLK-UHFFFAOYSA-N 0 0 518.595 4.562 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccc(C)cc1C ZINC000001906817 551732657 /nfs/dbraw/zinc/73/26/57/551732657.db2.gz KTDIOCJOSFJOJY-UHFFFAOYSA-N 0 0 518.595 4.617 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1cccc(C)c1C ZINC000001906926 551732646 /nfs/dbraw/zinc/73/26/46/551732646.db2.gz WNSIYKITHNYFAK-UHFFFAOYSA-N 0 0 518.595 4.617 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1cc(C)cc(C)c1 ZINC000001906928 551732666 /nfs/dbraw/zinc/73/26/66/551732666.db2.gz MHPMOWWVOHSEJT-UHFFFAOYSA-N 0 0 518.595 4.617 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccc(C)c(Cl)c1 ZINC000001906931 551732627 /nfs/dbraw/zinc/73/26/27/551732627.db2.gz DKGLXGOMSOZYDN-UHFFFAOYSA-N 0 0 539.013 4.962 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccc(Cl)cc1C ZINC000001906933 551732639 /nfs/dbraw/zinc/73/26/39/551732639.db2.gz AKWYBKLCKNAJMV-UHFFFAOYSA-N 0 0 539.013 4.962 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2c(C(=O)Nc3cccc(C)c3C)sc3nc(C)cc(=O)n32)cc1 ZINC000001906993 551732664 /nfs/dbraw/zinc/73/26/64/551732664.db2.gz JZBSLQLRXBRMRZ-UHFFFAOYSA-N 0 0 518.595 4.753 50 0 KJAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000001906996 551732683 /nfs/dbraw/zinc/73/26/83/551732683.db2.gz SAIAHJHCQOACDN-UHFFFAOYSA-N 0 0 518.595 4.751 50 0 KJAARN CCCOC(=O)c1cccc(NC(=O)c2c(C(=O)Nc3cccc(C)c3C)sc3nc(C)cc(=O)n32)c1 ZINC000001907000 551732898 /nfs/dbraw/zinc/73/28/98/551732898.db2.gz JNKCHRVDMZBYEI-UHFFFAOYSA-N 0 0 518.595 4.753 50 0 KJAARN Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000001907003 551732881 /nfs/dbraw/zinc/73/28/81/551732881.db2.gz IIWZJEMNIBEWMI-UHFFFAOYSA-N 0 0 518.595 4.751 50 0 KJAARN CCCCOC(=O)c1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n32)cc1 ZINC000001907051 551732903 /nfs/dbraw/zinc/73/29/03/551732903.db2.gz KKRQXXGIABYWHY-UHFFFAOYSA-N 0 0 504.568 4.526 50 0 KJAARN Cc1c(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=NN=Cc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000001909772 551733007 /nfs/dbraw/zinc/73/30/07/551733007.db2.gz GRHRWTGPTUNQLW-SWQMBHTPSA-N 0 0 583.586 4.812 50 0 KJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O ZINC000001911925 551732995 /nfs/dbraw/zinc/73/29/95/551732995.db2.gz MSSRZPVXKBHLLF-UHFFFAOYSA-N 0 0 524.624 4.512 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cnc3sc(C(=O)Nc4ccccc4OC)c(C)c3c1=O)CCCC2 ZINC000001911932 551732990 /nfs/dbraw/zinc/73/29/90/551732990.db2.gz TZSUZHDASUMTFC-UHFFFAOYSA-N 0 0 580.688 4.783 50 0 KJAARN O=C(COC(=O)CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)Nc1ccccc1Cl ZINC000001917121 551733514 /nfs/dbraw/zinc/73/35/14/551733514.db2.gz WQAPPOCGMSEIDS-UHFFFAOYSA-N 0 0 510.544 4.732 50 0 KJAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001917176 551733644 /nfs/dbraw/zinc/73/36/44/551733644.db2.gz MQWMBCQPRFMJIY-DEOSSOPVSA-N 0 0 532.980 4.764 50 0 KJAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001917177 551733646 /nfs/dbraw/zinc/73/36/46/551733646.db2.gz MQWMBCQPRFMJIY-XMMPIXPASA-N 0 0 532.980 4.764 50 0 KJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917217 551733897 /nfs/dbraw/zinc/73/38/97/551733897.db2.gz REQBVVRHMBZPLW-XMMPIXPASA-N 0 0 548.617 4.703 50 0 KJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000001917218 551733925 /nfs/dbraw/zinc/73/39/25/551733925.db2.gz REQBVVRHMBZPLW-DEOSSOPVSA-N 0 0 548.617 4.703 50 0 KJAARN COCCCN1C(=O)c2ccc(C(=O)Oc3ccc4c(c3)occ(-c3ccc(Cl)cc3)c4=O)cc2C1=O ZINC000001917379 551734336 /nfs/dbraw/zinc/73/43/36/551734336.db2.gz JUMFTWPOECYZBF-UHFFFAOYSA-N 0 0 517.921 4.965 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)N(C(=O)c2ccco2)c2cc3sc(=O)oc3c3ccccc32)c1 ZINC000001926333 551734778 /nfs/dbraw/zinc/73/47/78/551734778.db2.gz JOORIYLIKQPMIM-UHFFFAOYSA-N 0 0 511.533 4.654 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)N(C(=O)c2ccccc2Cl)c2ccc3oc(=O)sc3c2)c1 ZINC000001926339 551734760 /nfs/dbraw/zinc/73/47/60/551734760.db2.gz IAVIRHJSCHVDSD-UHFFFAOYSA-N 0 0 505.957 4.561 50 0 KJAARN CCCOC(=O)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)c1 ZINC000001953557 551735366 /nfs/dbraw/zinc/73/53/66/551735366.db2.gz XTMFQXNLAQCZQY-UHFFFAOYSA-N 0 0 531.996 4.980 50 0 KJAARN CC(C)OC(=O)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1 ZINC000001953571 551735359 /nfs/dbraw/zinc/73/53/59/551735359.db2.gz JLSXSBAFUIXGIX-UHFFFAOYSA-N 0 0 517.969 4.935 50 0 KJAARN CCCOC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)cc2)c1 ZINC000001953586 551735403 /nfs/dbraw/zinc/73/54/03/551735403.db2.gz BXBTXQRUAACPEN-UHFFFAOYSA-N 0 0 531.996 4.980 50 0 KJAARN CC(C)OC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)cc2)c1 ZINC000001953588 551735368 /nfs/dbraw/zinc/73/53/68/551735368.db2.gz ZWBUIWHBNDQRHY-UHFFFAOYSA-N 0 0 531.996 4.978 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)cc2)cc1 ZINC000001953589 551735579 /nfs/dbraw/zinc/73/55/79/551735579.db2.gz OWXAKZPXPAILCV-UHFFFAOYSA-N 0 0 531.996 4.980 50 0 KJAARN CC(C)OC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000001953613 551735529 /nfs/dbraw/zinc/73/55/29/551735529.db2.gz QNTPERQUJBKYCC-UHFFFAOYSA-N 0 0 517.969 4.935 50 0 KJAARN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000001953647 551735625 /nfs/dbraw/zinc/73/56/25/551735625.db2.gz PYFQBVCUJJYJHY-UHFFFAOYSA-N 0 0 500.986 4.970 50 0 KJAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001966410 551736062 /nfs/dbraw/zinc/73/60/62/551736062.db2.gz NWPAEQNVQFSCPW-UHFFFAOYSA-N 0 0 501.557 4.887 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)COc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)cc(=O)c3c2)cc1 ZINC000001978152 551736053 /nfs/dbraw/zinc/73/60/53/551736053.db2.gz KXJKCSHRIQNWKS-UHFFFAOYSA-N 0 0 533.533 4.680 50 0 KJAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)CN2C(=O)c3ccccc3C2=O)CCCC1 ZINC000002025352 551736436 /nfs/dbraw/zinc/73/64/36/551736436.db2.gz GPQYRCYWJKVKLE-UHFFFAOYSA-N 0 0 509.606 4.880 50 0 KJAARN COc1ccc(N(C(=O)CN2C(=O)c3ccccc3C2=O)C2(C(=O)Nc3c(C)cccc3C)CCCC2)cc1 ZINC000002027072 551736704 /nfs/dbraw/zinc/73/67/04/551736704.db2.gz RODVXZLDXHQARK-UHFFFAOYSA-N 0 0 525.605 4.893 50 0 KJAARN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 ZINC000002049385 551737294 /nfs/dbraw/zinc/73/72/94/551737294.db2.gz SLFCFBXWEOMFQZ-LMSRTUJASA-N 0 0 546.048 4.545 50 0 KJAARN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 ZINC000002049387 551737222 /nfs/dbraw/zinc/73/72/22/551737222.db2.gz SLFCFBXWEOMFQZ-RISWYLRJSA-N 0 0 546.048 4.545 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002049453 551737484 /nfs/dbraw/zinc/73/74/84/551737484.db2.gz JJLTUBXAVLCQKF-OINPTKSXSA-N 0 0 579.678 4.964 50 0 KJAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Br)o4)c(=O)n32)cc1 ZINC000002049608 551737894 /nfs/dbraw/zinc/73/78/94/551737894.db2.gz IVGDXKRJYOGCBV-VNSJDZJPSA-N 0 0 564.461 4.628 50 0 KJAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Br)o4)c(=O)n32)cc1 ZINC000002049610 551737899 /nfs/dbraw/zinc/73/78/99/551737899.db2.gz IVGDXKRJYOGCBV-HVUZKSCUSA-N 0 0 564.461 4.628 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000002049632 551737928 /nfs/dbraw/zinc/73/79/28/551737928.db2.gz AQXJYMLJJXCVHW-ZHGFHMGHSA-N 0 0 563.679 4.919 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000002049634 551737936 /nfs/dbraw/zinc/73/79/36/551737936.db2.gz AQXJYMLJJXCVHW-CLNXTWJPSA-N 0 0 563.679 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CCCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1Br)OCO3)N(C(C)=O)c1ccccc1-2 ZINC000002087192 551757080 /nfs/dbraw/zinc/75/70/80/551757080.db2.gz YWXUWPORVOUYIL-NRFANRHFSA-N 0 0 515.389 4.976 50 0 KJAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(OC(C)=O)cc1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000002087286 551757072 /nfs/dbraw/zinc/75/70/72/551757072.db2.gz YKPTZAUYFKVQKA-RUZDIDTESA-N 0 0 522.583 4.726 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)C(=O)Nc1sc3c(c1C(=O)OCC)CC[C@H](C)C3)C[C@@H](C)CC2 ZINC000002087813 551757311 /nfs/dbraw/zinc/75/73/11/551757311.db2.gz SGOHYFVMHGQJMR-KBPBESRZSA-N 0 0 532.684 4.990 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)C(=O)Nc1sc3c(c1C(=O)OCC)CC[C@H](C)C3)C[C@H](C)CC2 ZINC000002087814 551757325 /nfs/dbraw/zinc/75/73/25/551757325.db2.gz SGOHYFVMHGQJMR-OKILXGFUSA-N 0 0 532.684 4.990 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)C(=O)Nc1sc3c(c1C(=O)OCC)CC[C@@H](C)C3)C[C@H](C)CC2 ZINC000002087816 551757275 /nfs/dbraw/zinc/75/72/75/551757275.db2.gz SGOHYFVMHGQJMR-ZIAGYGMSSA-N 0 0 532.684 4.990 50 0 KJAARN CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000002089092 551758328 /nfs/dbraw/zinc/75/83/28/551758328.db2.gz RPZFNAXPXWKASQ-UHFFFAOYSA-N 0 0 526.305 4.572 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)c2ccc(C)cc2)cc1Br ZINC000002089096 551758319 /nfs/dbraw/zinc/75/83/19/551758319.db2.gz AJGWTGDCPBOXOU-UHFFFAOYSA-N 0 0 529.522 4.609 50 0 KJAARN CCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)cc1 ZINC000002091204 551758648 /nfs/dbraw/zinc/75/86/48/551758648.db2.gz JCIDDKPFFUWEPV-LADGPHEKSA-N 0 0 549.693 4.868 50 0 biogenic KJAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C ZINC000002091602 551758925 /nfs/dbraw/zinc/75/89/25/551758925.db2.gz CJNMQGRTENFCQH-DEOSSOPVSA-N 0 0 521.591 4.748 50 0 biogenic KJAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C ZINC000002091603 551758860 /nfs/dbraw/zinc/75/88/60/551758860.db2.gz CJNMQGRTENFCQH-XMMPIXPASA-N 0 0 521.591 4.748 50 0 biogenic KJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002091849 551758891 /nfs/dbraw/zinc/75/88/91/551758891.db2.gz ZHEZLIMAHCDETO-WWDWLDGVSA-N 0 0 562.670 4.806 50 0 biogenic KJAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092237 551759141 /nfs/dbraw/zinc/75/91/41/551759141.db2.gz GRBOZQAAJJARNL-AREMUKBSSA-N 0 0 519.619 4.939 50 0 KJAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092238 551759144 /nfs/dbraw/zinc/75/91/44/551759144.db2.gz GRBOZQAAJJARNL-SANMLTNESA-N 0 0 519.619 4.939 50 0 biogenic KJAARN CCC(=O)Oc1ccc(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)cc1OC(=O)CC ZINC000002092590 551759340 /nfs/dbraw/zinc/75/93/40/551759340.db2.gz MQDLUJADHJVGEU-CXUHLZMHSA-N 0 0 553.736 4.920 50 0 KJAARN CCC(=O)Oc1ccc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)cc1OC(=O)CC ZINC000002092592 551759343 /nfs/dbraw/zinc/75/93/43/551759343.db2.gz MQDLUJADHJVGEU-SXGWCWSVSA-N 0 0 553.736 4.920 50 0 KJAARN CCCCc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002092642 551759275 /nfs/dbraw/zinc/75/92/75/551759275.db2.gz PCAZNNXKBHZKGO-OBDYRVMHSA-N 0 0 512.654 4.570 50 0 biogenic KJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092671 551759314 /nfs/dbraw/zinc/75/93/14/551759314.db2.gz PLLUCEWMYNXAIN-RUZDIDTESA-N 0 0 505.592 4.549 50 0 KJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092673 551759301 /nfs/dbraw/zinc/75/93/01/551759301.db2.gz PLLUCEWMYNXAIN-VWLOTQADSA-N 0 0 505.592 4.549 50 0 biogenic KJAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002092787 551759603 /nfs/dbraw/zinc/75/96/03/551759603.db2.gz ZHJINBLGWJRVFP-HSZRJFAPSA-N 0 0 526.010 4.812 50 0 KJAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 ZINC000002092789 551759568 /nfs/dbraw/zinc/75/95/68/551759568.db2.gz ZHJINBLGWJRVFP-QHCPKHFHSA-N 0 0 526.010 4.812 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 ZINC000002092937 551759564 /nfs/dbraw/zinc/75/95/64/551759564.db2.gz RSLNADMILCZUOP-FQEVSTJZSA-N 0 0 505.592 4.581 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 ZINC000002092938 551759536 /nfs/dbraw/zinc/75/95/36/551759536.db2.gz RSLNADMILCZUOP-HXUWFJFHSA-N 0 0 505.592 4.581 50 0 KJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000002093140 551759766 /nfs/dbraw/zinc/75/97/66/551759766.db2.gz XKFJWFHASXZNSD-AREMUKBSSA-N 0 0 505.592 4.988 50 0 biogenic KJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000002093143 551759784 /nfs/dbraw/zinc/75/97/84/551759784.db2.gz XKFJWFHASXZNSD-SANMLTNESA-N 0 0 505.592 4.988 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 ZINC000002093157 551759760 /nfs/dbraw/zinc/75/97/60/551759760.db2.gz KZVLQZFRXYIUJN-QHCPKHFHSA-N 0 0 505.592 4.522 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 ZINC000002093158 551759728 /nfs/dbraw/zinc/75/97/28/551759728.db2.gz KZVLQZFRXYIUJN-HSZRJFAPSA-N 0 0 505.592 4.522 50 0 KJAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1 ZINC000002093289 551759763 /nfs/dbraw/zinc/75/97/63/551759763.db2.gz WHFPWPURCDHWME-VWLOTQADSA-N 0 0 521.591 4.830 50 0 biogenic KJAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1 ZINC000002093291 551759758 /nfs/dbraw/zinc/75/97/58/551759758.db2.gz WHFPWPURCDHWME-RUZDIDTESA-N 0 0 521.591 4.830 50 0 biogenic KJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002093874 551760120 /nfs/dbraw/zinc/76/01/20/551760120.db2.gz PNWJEWNEIJWZMH-MSYCTHLASA-N 0 0 525.436 4.534 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 ZINC000002094027 551760144 /nfs/dbraw/zinc/76/01/44/551760144.db2.gz WTTOTDBCLJBONA-MHZLTWQESA-N 0 0 556.640 4.875 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 ZINC000002094029 551760092 /nfs/dbraw/zinc/76/00/92/551760092.db2.gz WTTOTDBCLJBONA-HHHXNRCGSA-N 0 0 556.640 4.875 50 0 KJAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC(C)=O)cc1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000002094177 551760273 /nfs/dbraw/zinc/76/02/73/551760273.db2.gz YKPTZAUYFKVQKA-VWLOTQADSA-N 0 0 522.583 4.726 50 0 KJAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 ZINC000002094244 551760270 /nfs/dbraw/zinc/76/02/70/551760270.db2.gz OMSVSRWHSWFCDB-UHFFFAOYSA-N 0 0 505.592 4.583 50 0 biogenic KJAARN CCCCSc1nnc2c(n1)O[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)N(C(C)=O)c1ccccc1-2 ZINC000002094394 551760432 /nfs/dbraw/zinc/76/04/32/551760432.db2.gz FIGVMYUKTXWCAJ-RUZDIDTESA-N 0 0 524.599 4.817 50 0 KJAARN CCCCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)N(C(C)=O)c1ccccc1-2 ZINC000002094397 551760424 /nfs/dbraw/zinc/76/04/24/551760424.db2.gz FIGVMYUKTXWCAJ-VWLOTQADSA-N 0 0 524.599 4.817 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)cc1 ZINC000002094600 551760672 /nfs/dbraw/zinc/76/06/72/551760672.db2.gz QGYLMWCPPLCOIW-VWLOTQADSA-N 0 0 531.630 4.784 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)cc1 ZINC000002094602 551760658 /nfs/dbraw/zinc/76/06/58/551760658.db2.gz QGYLMWCPPLCOIW-RUZDIDTESA-N 0 0 531.630 4.784 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)cc1 ZINC000002094805 551760813 /nfs/dbraw/zinc/76/08/13/551760813.db2.gz NAPRIJSAKMXTEN-QFIPXVFZSA-N 0 0 511.983 4.558 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)cc1 ZINC000002094807 551760792 /nfs/dbraw/zinc/76/07/92/551760792.db2.gz NAPRIJSAKMXTEN-JOCHJYFZSA-N 0 0 511.983 4.558 50 0 KJAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 ZINC000002095161 551761051 /nfs/dbraw/zinc/76/10/51/551761051.db2.gz RZHSYZSOLNXNNH-DEOSSOPVSA-N 0 0 519.619 4.972 50 0 biogenic KJAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 ZINC000002095163 551761042 /nfs/dbraw/zinc/76/10/42/551761042.db2.gz RZHSYZSOLNXNNH-XMMPIXPASA-N 0 0 519.619 4.972 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 ZINC000002095277 551761280 /nfs/dbraw/zinc/76/12/80/551761280.db2.gz ZCAZBKHBMHHVIW-QHCPKHFHSA-N 0 0 526.010 4.867 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 ZINC000002095278 551761199 /nfs/dbraw/zinc/76/11/99/551761199.db2.gz ZCAZBKHBMHHVIW-HSZRJFAPSA-N 0 0 526.010 4.867 50 0 KJAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](CCSC)NC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc21 ZINC000002095684 551761470 /nfs/dbraw/zinc/76/14/70/551761470.db2.gz YMXFPSAOPVBHIN-CZSZKKDXSA-N 0 0 557.720 4.865 50 0 biogenic KJAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000002095720 551761505 /nfs/dbraw/zinc/76/15/05/551761505.db2.gz UCLRAJWSFWSCND-VWLOTQADSA-N 0 0 519.619 4.972 50 0 biogenic KJAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000002095722 551761486 /nfs/dbraw/zinc/76/14/86/551761486.db2.gz UCLRAJWSFWSCND-RUZDIDTESA-N 0 0 519.619 4.972 50 0 biogenic KJAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](Cc3c[nH]c4ccccc34)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002095836 551761679 /nfs/dbraw/zinc/76/16/79/551761679.db2.gz CFOIFOCZOQJFHW-AREMUKBSSA-N 0 0 530.602 4.640 50 0 KJAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](Cc3c[nH]c4ccccc34)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002095837 551761650 /nfs/dbraw/zinc/76/16/50/551761650.db2.gz CFOIFOCZOQJFHW-SANMLTNESA-N 0 0 530.602 4.640 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 ZINC000002095887 551761673 /nfs/dbraw/zinc/76/16/73/551761673.db2.gz UUOLFLHZNSLPFI-SANMLTNESA-N 0 0 531.630 4.784 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 ZINC000002095890 551761621 /nfs/dbraw/zinc/76/16/21/551761621.db2.gz UUOLFLHZNSLPFI-AREMUKBSSA-N 0 0 531.630 4.784 50 0 KJAARN COc1ccc(CCN2CC(=O)N3[C@H](CCc4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002095956 551761644 /nfs/dbraw/zinc/76/16/44/551761644.db2.gz HBSOTYGILLAINB-SXOMAYOGSA-N 0 0 523.633 4.697 50 0 biogenic KJAARN COc1ccc(CCN2CC(=O)N3[C@@H](CCc4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002095959 551761697 /nfs/dbraw/zinc/76/16/97/551761697.db2.gz HBSOTYGILLAINB-SVBPBHIXSA-N 0 0 523.633 4.697 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2cc(C)cc3oc(=O)c(Cc4ccccc4)c(C)c23)cc1 ZINC000002095971 551761670 /nfs/dbraw/zinc/76/16/70/551761670.db2.gz URUFOKOJLHMXHQ-UHFFFAOYSA-N 0 0 505.592 4.583 50 0 biogenic KJAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)c(C)c2oc1=O ZINC000002096340 551761927 /nfs/dbraw/zinc/76/19/27/551761927.db2.gz GYMRLPZBPGQYOA-UHFFFAOYSA-N 0 0 505.567 4.976 50 0 biogenic KJAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(OC)c1)N(c1ccc(C(=O)OC)cc1)C(=O)C2 ZINC000002096771 551761914 /nfs/dbraw/zinc/76/19/14/551761914.db2.gz PYOFNGXHJPGGIN-MUUNZHRXSA-N 0 0 505.567 4.967 50 0 biogenic KJAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(OC)c1)N(c1ccc(C(=O)OC)cc1)C(=O)C2 ZINC000002096773 551761869 /nfs/dbraw/zinc/76/18/69/551761869.db2.gz PYOFNGXHJPGGIN-NDEPHWFRSA-N 0 0 505.567 4.967 50 0 biogenic KJAARN CCc1cc2c(cc1O[C@@H](C)C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)OC)occ(-c1nc(C)cs1)c2=O ZINC000002097347 551761880 /nfs/dbraw/zinc/76/18/80/551761880.db2.gz BJOXTKUHYSNSTC-BXKMTCNYSA-N 0 0 559.644 4.936 50 0 biogenic KJAARN CCc1cc2c(cc1O[C@H](C)C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)OC)occ(-c1nc(C)cs1)c2=O ZINC000002097349 551761883 /nfs/dbraw/zinc/76/18/83/551761883.db2.gz BJOXTKUHYSNSTC-MZNJEOGPSA-N 0 0 559.644 4.936 50 0 biogenic KJAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NS(=O)(=O)Cc3ccccc3)c2cc1OC ZINC000002099588 551762039 /nfs/dbraw/zinc/76/20/39/551762039.db2.gz LKDDZHYUGZNMGN-UHFFFAOYSA-N 0 0 508.596 4.802 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3c[nH]c4ccccc34)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000002100305 551762216 /nfs/dbraw/zinc/76/22/16/551762216.db2.gz BHCOVAYRUGCBDE-RUZDIDTESA-N 0 0 527.621 4.999 50 0 KJAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N32)c1 ZINC000002103070 551762497 /nfs/dbraw/zinc/76/24/97/551762497.db2.gz MJXIWAFILDJONL-SVEHJYQDSA-N 0 0 501.627 4.983 50 0 biogenic KJAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N23)c1 ZINC000002103072 551762509 /nfs/dbraw/zinc/76/25/09/551762509.db2.gz MJXIWAFILDJONL-ABYGYWHVSA-N 0 0 501.627 4.983 50 0 biogenic KJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(Cl)cc4)CC(=O)N32)cc1OC ZINC000002103091 551762496 /nfs/dbraw/zinc/76/24/96/551762496.db2.gz XLADEEJCSSRHCR-FIPFOOKPSA-N 0 0 515.997 4.724 50 0 biogenic KJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(Cl)cc4)CC(=O)N23)cc1OC ZINC000002103092 551762522 /nfs/dbraw/zinc/76/25/22/551762522.db2.gz XLADEEJCSSRHCR-NEKDWFFYSA-N 0 0 515.997 4.724 50 0 biogenic KJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N32)cc1OC ZINC000002104912 551762861 /nfs/dbraw/zinc/76/28/61/551762861.db2.gz IVHFPTXWBVYFNS-OUTSHDOLSA-N 0 0 501.627 4.983 50 0 biogenic KJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N23)cc1OC ZINC000002104914 551762815 /nfs/dbraw/zinc/76/28/15/551762815.db2.gz IVHFPTXWBVYFNS-PWUYWRBVSA-N 0 0 501.627 4.983 50 0 biogenic KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002106139 551763970 /nfs/dbraw/zinc/76/39/70/551763970.db2.gz GBIHDHYZDOILON-ZJTZAHLKSA-N 0 0 576.621 4.664 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002106145 551763972 /nfs/dbraw/zinc/76/39/72/551763972.db2.gz GBIHDHYZDOILON-UPWSPCOFSA-N 0 0 576.621 4.664 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002106218 551763982 /nfs/dbraw/zinc/76/39/82/551763982.db2.gz DQQJRBJHGJMXCH-YRSDHNRQSA-N 0 0 594.611 4.803 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002106222 551763927 /nfs/dbraw/zinc/76/39/27/551763927.db2.gz DQQJRBJHGJMXCH-DQARITGZSA-N 0 0 594.611 4.803 50 0 KJAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N([C@@H](C)CCc4ccccc4)CC(=O)N23)c1 ZINC000002106317 551763949 /nfs/dbraw/zinc/76/39/49/551763949.db2.gz HTICUIIIGGXXGV-XYQUQUKTSA-N 0 0 523.633 4.891 50 0 biogenic KJAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N([C@H](C)CCc4ccccc4)CC(=O)N23)c1 ZINC000002106319 551763953 /nfs/dbraw/zinc/76/39/53/551763953.db2.gz HTICUIIIGGXXGV-APMFXMBPSA-N 0 0 523.633 4.891 50 0 biogenic KJAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N([C@@H](C)CCc4ccccc4)CC(=O)N32)c1 ZINC000002106320 551763921 /nfs/dbraw/zinc/76/39/21/551763921.db2.gz HTICUIIIGGXXGV-WGXALEHPSA-N 0 0 523.633 4.891 50 0 biogenic KJAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N([C@H](C)CCc4ccccc4)CC(=O)N32)c1 ZINC000002106321 551763980 /nfs/dbraw/zinc/76/39/80/551763980.db2.gz HTICUIIIGGXXGV-CVYBAQLYSA-N 0 0 523.633 4.891 50 0 biogenic KJAARN COC(=O)c1sc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c(C(=O)OC)c1C ZINC000002106338 551763974 /nfs/dbraw/zinc/76/39/74/551763974.db2.gz RZFCJQIJIZMBBR-UHFFFAOYSA-N 0 0 557.675 4.738 50 0 KJAARN COC(=O)c1c2c(sc1NC(=O)CC(=O)Nc1sc3c(c1C(=O)OC)CCCCC3)CCCCC2 ZINC000002106513 551764117 /nfs/dbraw/zinc/76/41/17/551764117.db2.gz GGLWTWDDLVZCLR-UHFFFAOYSA-N 0 0 518.657 4.888 50 0 KJAARN COC(=O)c1sc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccc(OC)cc2)c(C(=O)OC)c1C ZINC000002106896 551764511 /nfs/dbraw/zinc/76/45/11/551764511.db2.gz HETRJJYNNNMRIS-UHFFFAOYSA-N 0 0 587.701 4.747 50 0 KJAARN CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1O ZINC000002107460 551764767 /nfs/dbraw/zinc/76/47/67/551764767.db2.gz WFXDUSOWTDPMKL-WBFGXSGYSA-N 0 0 511.615 4.725 50 0 KJAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC4=CCCCC4)CC(=O)N32)cc(OC)c1OC ZINC000002107470 551764754 /nfs/dbraw/zinc/76/47/54/551764754.db2.gz QAEAXJAUGXIZEM-OUTSHDOLSA-N 0 0 529.637 4.769 50 0 biogenic KJAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC4=CCCCC4)CC(=O)N23)cc(OC)c1OC ZINC000002107471 551764731 /nfs/dbraw/zinc/76/47/31/551764731.db2.gz QAEAXJAUGXIZEM-PWUYWRBVSA-N 0 0 529.637 4.769 50 0 biogenic KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4c(F)c(F)cc(F)c4F)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002107534 551764759 /nfs/dbraw/zinc/76/47/59/551764759.db2.gz IRTDRLUPQLQBGM-APHAYPQZSA-N 0 0 598.574 4.552 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4c(F)c(F)cc(F)c4F)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002107538 551764722 /nfs/dbraw/zinc/76/47/22/551764722.db2.gz IRTDRLUPQLQBGM-GJJIMWKLSA-N 0 0 598.574 4.552 50 0 KJAARN COc1cc(COc2ccc3c(C)c(CC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2C)cc(OC)c1OC ZINC000002108499 551766091 /nfs/dbraw/zinc/76/60/91/551766091.db2.gz GKONWEVJMOMYAD-APYJYERMSA-N 0 0 565.663 4.711 50 0 biogenic KJAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc(Cn3cc(Cl)cn3)o1)CCCCC2 ZINC000002108596 551766101 /nfs/dbraw/zinc/76/61/01/551766101.db2.gz ZYZFHTVFZOJSFO-UHFFFAOYSA-N 0 0 507.037 4.812 50 0 aggregator KJAARN COC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc(Cn3cc(Br)cn3)cc1)CCCCC2 ZINC000002108605 551766090 /nfs/dbraw/zinc/76/60/90/551766090.db2.gz WHYPKNMYCQXXIP-UHFFFAOYSA-N 0 0 547.500 4.938 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4cccc(C)c4C)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002108780 551766406 /nfs/dbraw/zinc/76/64/06/551766406.db2.gz BTEAWMYAGGWTHO-USDTVRPUSA-N 0 0 554.668 4.613 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4cccc(C)c4C)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002108786 551766413 /nfs/dbraw/zinc/76/64/13/551766413.db2.gz BTEAWMYAGGWTHO-PKYOQBLNSA-N 0 0 554.668 4.613 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4cc(C)cc(C)c4)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002108805 551766400 /nfs/dbraw/zinc/76/64/00/551766400.db2.gz JZPYJQONVDCMCM-USDTVRPUSA-N 0 0 554.668 4.613 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4cc(C)cc(C)c4)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002108810 551766440 /nfs/dbraw/zinc/76/64/40/551766440.db2.gz JZPYJQONVDCMCM-PKYOQBLNSA-N 0 0 554.668 4.613 50 0 KJAARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 ZINC000002108812 551766405 /nfs/dbraw/zinc/76/64/05/551766405.db2.gz BAGIMRIMWULHTD-UHFFFAOYSA-N 0 0 515.433 4.778 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(F)cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002108826 551766418 /nfs/dbraw/zinc/76/64/18/551766418.db2.gz ONYGZAQTTCRBKK-PNZYDNNZSA-N 0 0 553.011 4.763 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(F)cc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002108838 551766441 /nfs/dbraw/zinc/76/64/41/551766441.db2.gz ONYGZAQTTCRBKK-CBYYHRJHSA-N 0 0 553.011 4.763 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(F)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002108843 551766422 /nfs/dbraw/zinc/76/64/22/551766422.db2.gz BMPBANDWKJQNPC-PNZYDNNZSA-N 0 0 553.011 4.763 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4ccc(F)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002108850 551766438 /nfs/dbraw/zinc/76/64/38/551766438.db2.gz BMPBANDWKJQNPC-CBYYHRJHSA-N 0 0 553.011 4.763 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002108875 551766448 /nfs/dbraw/zinc/76/64/48/551766448.db2.gz VZKZOLMRBHKFRJ-GJFKPFFXSA-N 0 0 568.573 4.989 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002108879 551766398 /nfs/dbraw/zinc/76/63/98/551766398.db2.gz VZKZOLMRBHKFRJ-LWUPDDLQSA-N 0 0 568.573 4.989 50 0 KJAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N21 ZINC000002108890 551766431 /nfs/dbraw/zinc/76/64/31/551766431.db2.gz PWIRWGZAVSMDEC-YZNIXAGQSA-N 0 0 504.590 4.585 50 0 biogenic KJAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N12 ZINC000002108892 551766402 /nfs/dbraw/zinc/76/64/02/551766402.db2.gz PWIRWGZAVSMDEC-FREGXXQWSA-N 0 0 504.590 4.585 50 0 biogenic KJAARN COc1cccc(COc2ccc3c(C)c(CC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2C)c1 ZINC000002108960 551766602 /nfs/dbraw/zinc/76/66/02/551766602.db2.gz BSCVQOHXMYYUIK-YKGWIAGDSA-N 0 0 505.611 4.694 50 0 biogenic KJAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc(Cn3cc(Cl)cn3)o1)C[C@@H](C)CC2 ZINC000002109012 551766583 /nfs/dbraw/zinc/76/65/83/551766583.db2.gz UBMMPWIYJFDHNY-LBPRGKRZSA-N 0 0 507.037 4.668 50 0 aggregator KJAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1ccc(Cn3cc(Cl)cn3)o1)C[C@H](C)CC2 ZINC000002109014 551766596 /nfs/dbraw/zinc/76/65/96/551766596.db2.gz UBMMPWIYJFDHNY-GFCCVEGCSA-N 0 0 507.037 4.668 50 0 aggregator KJAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)CC(=O)N21 ZINC000002109854 551766939 /nfs/dbraw/zinc/76/69/39/551766939.db2.gz KMMAAIAPVTWAHV-FKAPRUDGSA-N 0 0 539.632 4.511 50 0 biogenic KJAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)CC(=O)N12 ZINC000002109856 551766908 /nfs/dbraw/zinc/76/69/08/551766908.db2.gz KMMAAIAPVTWAHV-VVFBEHOQSA-N 0 0 539.632 4.511 50 0 biogenic KJAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)n2n1 ZINC000002111453 551767492 /nfs/dbraw/zinc/76/74/92/551767492.db2.gz FDMBXIFITWXORK-UHFFFAOYSA-N 0 0 531.516 4.540 50 0 KJAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)n2n1 ZINC000002111509 551767563 /nfs/dbraw/zinc/76/75/63/551767563.db2.gz JVJAVSWPJGZXAT-UHFFFAOYSA-N 0 0 545.543 4.930 50 0 KJAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N32)ccc1OC(C)C ZINC000002111944 551767920 /nfs/dbraw/zinc/76/79/20/551767920.db2.gz FGVPASHGLKVFSL-OUTSHDOLSA-N 0 0 501.627 4.981 50 0 biogenic KJAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)CC(=O)N23)ccc1OC(C)C ZINC000002111946 551767898 /nfs/dbraw/zinc/76/78/98/551767898.db2.gz FGVPASHGLKVFSL-PWUYWRBVSA-N 0 0 501.627 4.981 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)C(C)C)cc1 ZINC000002111977 551767896 /nfs/dbraw/zinc/76/78/96/551767896.db2.gz NVEMKHFLNPWIMP-MHZLTWQESA-N 0 0 519.619 4.909 50 0 biogenic KJAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N21 ZINC000002112118 551767885 /nfs/dbraw/zinc/76/78/85/551767885.db2.gz WQLAMORNKLPGTD-DHIFEGFHSA-N 0 0 518.617 4.976 50 0 biogenic KJAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N12 ZINC000002112119 551767926 /nfs/dbraw/zinc/76/79/26/551767926.db2.gz WQLAMORNKLPGTD-JTSJOTPCSA-N 0 0 518.617 4.976 50 0 biogenic KJAARN COc1cc2c(cc1OC)-c1cc(N(CC[C@@H](c3ccco3)c3ccc(C)cc3)C(C)=O)nc(=O)n1CC2 ZINC000002112137 551767903 /nfs/dbraw/zinc/76/79/03/551767903.db2.gz ZKGPISQJNPVVIH-HSZRJFAPSA-N 0 0 513.594 4.960 50 0 biogenic KJAARN COc1cc2c(cc1OC)-c1cc(N(CC[C@H](c3ccco3)c3ccc(C)cc3)C(C)=O)nc(=O)n1CC2 ZINC000002112138 551767894 /nfs/dbraw/zinc/76/78/94/551767894.db2.gz ZKGPISQJNPVVIH-QHCPKHFHSA-N 0 0 513.594 4.960 50 0 biogenic KJAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(Cl)cc4)CC(=O)N32)cc1 ZINC000002113087 551768479 /nfs/dbraw/zinc/76/84/79/551768479.db2.gz HKDTXHOIVFDXTD-LSYYVWMOSA-N 0 0 528.008 4.536 50 0 biogenic KJAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(Cl)cc4)CC(=O)N23)cc1 ZINC000002113089 551768470 /nfs/dbraw/zinc/76/84/70/551768470.db2.gz HKDTXHOIVFDXTD-LBNVMWSVSA-N 0 0 528.008 4.536 50 0 biogenic KJAARN COc1ccc(CN2CC(=O)N3[C@H](c4cccc(Cl)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002113727 551768716 /nfs/dbraw/zinc/76/87/16/551768716.db2.gz OGOVJYQTQUMAOM-NEKDWFFYSA-N 0 0 515.997 4.724 50 0 biogenic KJAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(Cl)c3)C2=O)cc1OC ZINC000002113729 551768665 /nfs/dbraw/zinc/76/86/65/551768665.db2.gz OGOVJYQTQUMAOM-FIPFOOKPSA-N 0 0 515.997 4.724 50 0 biogenic KJAARN O=C1CN(CCc2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Br)c3)N12 ZINC000002115400 551769226 /nfs/dbraw/zinc/76/92/26/551769226.db2.gz NLCUDTVPPRJLBK-RPLLCQBOSA-N 0 0 514.423 4.858 50 0 biogenic KJAARN O=C1CN(CCc2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Br)c3)N12 ZINC000002115401 551769316 /nfs/dbraw/zinc/76/93/16/551769316.db2.gz NLCUDTVPPRJLBK-IGKIAQTJSA-N 0 0 514.423 4.858 50 0 biogenic KJAARN O=C1CN(CCc2cccc(F)c2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Br)c3)N12 ZINC000002115756 551769259 /nfs/dbraw/zinc/76/92/59/551769259.db2.gz GTCOYCHPSNDBGX-RPLLCQBOSA-N 0 0 532.413 4.997 50 0 biogenic KJAARN O=C1CN(CCc2cccc(F)c2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Br)c3)N12 ZINC000002115757 551769270 /nfs/dbraw/zinc/76/92/70/551769270.db2.gz GTCOYCHPSNDBGX-IGKIAQTJSA-N 0 0 532.413 4.997 50 0 biogenic KJAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCc4ccccc4)CC(=O)N32)cc(OC)c1OC ZINC000002116899 551769384 /nfs/dbraw/zinc/76/93/84/551769384.db2.gz FHECOYCBMKVEIZ-QCDSWUKFSA-N 0 0 539.632 4.511 50 0 biogenic KJAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCc4ccccc4)CC(=O)N23)cc(OC)c1OC ZINC000002116901 551769414 /nfs/dbraw/zinc/76/94/14/551769414.db2.gz FHECOYCBMKVEIZ-SETSBSEESA-N 0 0 539.632 4.511 50 0 biogenic KJAARN COc1ccc(CN2CC(=O)N3[C@H](c4ccc(Br)cc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002117014 551769438 /nfs/dbraw/zinc/76/94/38/551769438.db2.gz KKZGDUQXZSELNI-RPLLCQBOSA-N 0 0 530.422 4.824 50 0 biogenic KJAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccc(Br)cc3)C2=O)cc1 ZINC000002117016 551769371 /nfs/dbraw/zinc/76/93/71/551769371.db2.gz KKZGDUQXZSELNI-IGKIAQTJSA-N 0 0 530.422 4.824 50 0 biogenic KJAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4Cl)CC(=O)N32)cc(OC)c1OC ZINC000002117949 551769648 /nfs/dbraw/zinc/76/96/48/551769648.db2.gz WNVBSENCDNHGSA-FIPFOOKPSA-N 0 0 546.023 4.732 50 0 biogenic KJAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4Cl)CC(=O)N23)cc(OC)c1OC ZINC000002117952 551769635 /nfs/dbraw/zinc/76/96/35/551769635.db2.gz WNVBSENCDNHGSA-NEKDWFFYSA-N 0 0 546.023 4.732 50 0 biogenic KJAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N32)cc1OC ZINC000002118624 551769754 /nfs/dbraw/zinc/76/97/54/551769754.db2.gz ZWKBVIXTYLRQAD-OUTSHDOLSA-N 0 0 513.569 4.599 50 0 biogenic KJAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(F)cc4)CC(=O)N23)cc1OC ZINC000002118626 551769776 /nfs/dbraw/zinc/76/97/76/551769776.db2.gz ZWKBVIXTYLRQAD-PWUYWRBVSA-N 0 0 513.569 4.599 50 0 biogenic KJAARN COc1ccccc1CN1CC(=O)N2[C@H](c3cccc(Br)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002118724 551769818 /nfs/dbraw/zinc/76/98/18/551769818.db2.gz RGUOGEKUHGXWCM-WNCULLNHSA-N 0 0 530.422 4.824 50 0 biogenic KJAARN COc1ccccc1CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(Br)c2)C1=O ZINC000002118726 551769773 /nfs/dbraw/zinc/76/97/73/551769773.db2.gz RGUOGEKUHGXWCM-HOFKKMOUSA-N 0 0 530.422 4.824 50 0 biogenic KJAARN O=C1CN(Cc2cccs2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Br)cc3)N12 ZINC000002118888 551769789 /nfs/dbraw/zinc/76/97/89/551769789.db2.gz XSQRSWYKZHAPMK-URXFXBBRSA-N 0 0 506.425 4.877 50 0 biogenic KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002120470 551770176 /nfs/dbraw/zinc/77/01/76/551770176.db2.gz HAHZEUAONIEIIF-ZIRCPPMYSA-N 0 0 554.668 4.776 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002120474 551770229 /nfs/dbraw/zinc/77/02/29/551770229.db2.gz HAHZEUAONIEIIF-CVXGXVHTSA-N 0 0 554.668 4.776 50 0 KJAARN COc1ccc(CCN2CC(=O)N3[C@H](c4cccc(Br)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002120759 551770469 /nfs/dbraw/zinc/77/04/69/551770469.db2.gz LAWIUFVOXVGGJJ-LBNVMWSVSA-N 0 0 544.449 4.867 50 0 biogenic KJAARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(Br)c3)C2=O)cc1 ZINC000002120761 551770479 /nfs/dbraw/zinc/77/04/79/551770479.db2.gz LAWIUFVOXVGGJJ-LSYYVWMOSA-N 0 0 544.449 4.867 50 0 biogenic KJAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000002121146 551770694 /nfs/dbraw/zinc/77/06/94/551770694.db2.gz OAYCQRPMQSYVCB-QARYAGPDSA-N 0 0 531.033 4.695 50 0 KJAARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000002121151 551770641 /nfs/dbraw/zinc/77/06/41/551770641.db2.gz OAYCQRPMQSYVCB-ZSJKCPIUSA-N 0 0 531.033 4.695 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002121500 551770884 /nfs/dbraw/zinc/77/08/84/551770884.db2.gz APIVETPVWVWFFQ-DBXPASCUSA-N 0 0 512.631 4.659 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002121503 551770882 /nfs/dbraw/zinc/77/08/82/551770882.db2.gz APIVETPVWVWFFQ-CMISJSSVSA-N 0 0 512.631 4.659 50 0 KJAARN CCCCOc1ccc(C(=O)OCCN(C2=NS(=O)(=O)c3ccccc32)c2ccccc2OC)cc1 ZINC000002121740 551770909 /nfs/dbraw/zinc/77/09/09/551770909.db2.gz IVJHJVIERVCMMQ-UHFFFAOYSA-N 0 0 508.596 4.687 50 0 KJAARN COc1ccc(CCN2CC(=O)N3[C@H](c4cccc(Cl)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002121932 551770881 /nfs/dbraw/zinc/77/08/81/551770881.db2.gz ZSOWSMLIKNLERA-PWUYWRBVSA-N 0 0 530.024 4.766 50 0 biogenic KJAARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(Cl)c3)C2=O)cc1OC ZINC000002121934 551770888 /nfs/dbraw/zinc/77/08/88/551770888.db2.gz ZSOWSMLIKNLERA-OUTSHDOLSA-N 0 0 530.024 4.766 50 0 biogenic KJAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(OC)cc4)CC(=O)N32)cc1OC ZINC000002123213 551771257 /nfs/dbraw/zinc/77/12/57/551771257.db2.gz UDCMYPQGYYHHMF-HVNZXBJASA-N 0 0 539.632 4.511 50 0 biogenic KJAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(OC)cc4)CC(=O)N23)cc1OC ZINC000002123214 551771315 /nfs/dbraw/zinc/77/13/15/551771315.db2.gz UDCMYPQGYYHHMF-SUYBVONHSA-N 0 0 539.632 4.511 50 0 biogenic KJAARN O=C1CN(Cc2ccc(F)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Br)c3)N12 ZINC000002123401 551771290 /nfs/dbraw/zinc/77/12/90/551771290.db2.gz NVHZFUWKBALLJX-JYFHCDHNSA-N 0 0 518.386 4.955 50 0 biogenic KJAARN O=C1CN(Cc2ccc(F)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Br)c3)N12 ZINC000002123402 551771307 /nfs/dbraw/zinc/77/13/07/551771307.db2.gz NVHZFUWKBALLJX-OZXSUGGESA-N 0 0 518.386 4.955 50 0 biogenic KJAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N32)cc1OC ZINC000002123795 551771264 /nfs/dbraw/zinc/77/12/64/551771264.db2.gz PMLODNPASOHWJZ-CUNXSJBXSA-N 0 0 501.608 4.522 50 0 biogenic KJAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N23)cc1OC ZINC000002123797 551771261 /nfs/dbraw/zinc/77/12/61/551771261.db2.gz PMLODNPASOHWJZ-WXVAWEFUSA-N 0 0 501.608 4.522 50 0 biogenic KJAARN COc1ccc(CN2CC(=O)N3[C@H](c4cccc(Br)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002123909 551771304 /nfs/dbraw/zinc/77/13/04/551771304.db2.gz LLHMEWGQSNEEAE-RPLLCQBOSA-N 0 0 530.422 4.824 50 0 biogenic KJAARN COc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(Br)c3)C2=O)cc1 ZINC000002123911 551771301 /nfs/dbraw/zinc/77/13/01/551771301.db2.gz LLHMEWGQSNEEAE-IGKIAQTJSA-N 0 0 530.422 4.824 50 0 biogenic KJAARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)n2C)cc1 ZINC000002123934 551771299 /nfs/dbraw/zinc/77/12/99/551771299.db2.gz IXCZGYJPSXFFIW-UHFFFAOYSA-N 0 0 557.499 4.670 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCCOc3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000002124261 551771501 /nfs/dbraw/zinc/77/15/01/551771501.db2.gz SIOAMFHXLJRTLU-CZLAYTOTSA-N 0 0 554.668 4.565 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCCOc3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002124269 551771476 /nfs/dbraw/zinc/77/14/76/551771476.db2.gz SIOAMFHXLJRTLU-PCJRJIAFSA-N 0 0 554.668 4.565 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCOc4ccc(C)cc4)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000002124275 551771458 /nfs/dbraw/zinc/77/14/58/551771458.db2.gz UGQFRQRRSHIEMX-CZLAYTOTSA-N 0 0 554.668 4.565 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCCOc4ccc(C)cc4)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002124281 551771490 /nfs/dbraw/zinc/77/14/90/551771490.db2.gz UGQFRQRRSHIEMX-PCJRJIAFSA-N 0 0 554.668 4.565 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4F)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002124286 551771465 /nfs/dbraw/zinc/77/14/65/551771465.db2.gz ODAMQKQTARTKCO-CMISJSSVSA-N 0 0 528.605 4.516 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4F)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002124292 551771429 /nfs/dbraw/zinc/77/14/29/551771429.db2.gz ODAMQKQTARTKCO-DBXPASCUSA-N 0 0 528.605 4.516 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(F)cc4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002124307 551771438 /nfs/dbraw/zinc/77/14/38/551771438.db2.gz GPLMUFYPDCENKL-ASZNLBCTSA-N 0 0 558.631 4.525 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc(F)cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002124315 551771449 /nfs/dbraw/zinc/77/14/49/551771449.db2.gz GPLMUFYPDCENKL-YNMQQHPQSA-N 0 0 558.631 4.525 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002124323 551771461 /nfs/dbraw/zinc/77/14/61/551771461.db2.gz LSWJMEBYEDYYDZ-GJFKPFFXSA-N 0 0 579.472 4.829 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002124330 551771456 /nfs/dbraw/zinc/77/14/56/551771456.db2.gz LSWJMEBYEDYYDZ-LWUPDDLQSA-N 0 0 579.472 4.829 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002124344 551771467 /nfs/dbraw/zinc/77/14/67/551771467.db2.gz DQKBCZVGRQVGOG-PLQXQRLBSA-N 0 0 593.455 4.550 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002124350 551771665 /nfs/dbraw/zinc/77/16/65/551771665.db2.gz DQKBCZVGRQVGOG-VVNKCDPRSA-N 0 0 593.455 4.550 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000002124356 551771670 /nfs/dbraw/zinc/77/16/70/551771670.db2.gz VDRFBTXKSHDEQV-VPHSIRQSSA-N 0 0 588.657 4.534 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000002124362 551771661 /nfs/dbraw/zinc/77/16/61/551771661.db2.gz VDRFBTXKSHDEQV-YVBHXKDBSA-N 0 0 588.657 4.534 50 0 KJAARN O=C1CN(CCc2ccccc2F)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Br)c3)N12 ZINC000002124668 551771651 /nfs/dbraw/zinc/77/16/51/551771651.db2.gz AQBSIAKZCJZGKM-RPLLCQBOSA-N 0 0 532.413 4.997 50 0 biogenic KJAARN O=C1CN(CCc2ccccc2F)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Br)c3)N12 ZINC000002124670 551771649 /nfs/dbraw/zinc/77/16/49/551771649.db2.gz AQBSIAKZCJZGKM-IGKIAQTJSA-N 0 0 532.413 4.997 50 0 biogenic KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1cccs1 ZINC000002125771 551771893 /nfs/dbraw/zinc/77/18/93/551771893.db2.gz YAPZSOIFNTXRPF-WNPPMXKSSA-N 0 0 507.036 4.651 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1cccs1 ZINC000002125775 551771844 /nfs/dbraw/zinc/77/18/44/551771844.db2.gz YAPZSOIFNTXRPF-HVQRGMKJSA-N 0 0 507.036 4.651 50 0 KJAARN CCCNS(=O)(=O)c1cccc2c(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)cccc21 ZINC000002127240 551772047 /nfs/dbraw/zinc/77/20/47/551772047.db2.gz LGOCXZONLNBESZ-AREMUKBSSA-N 0 0 501.608 4.638 50 0 KJAARN CCCNS(=O)(=O)c1cccc2c(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)cccc21 ZINC000002127241 551772286 /nfs/dbraw/zinc/77/22/86/551772286.db2.gz LGOCXZONLNBESZ-SANMLTNESA-N 0 0 501.608 4.638 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 ZINC000002131827 551772827 /nfs/dbraw/zinc/77/28/27/551772827.db2.gz BUMRZQBXTQQPAD-UHFFFAOYSA-N 0 0 594.671 4.997 50 0 KJAARN COc1ccc(Cc2nc(N)c(-c3ccc(OC)c(OC)c3)c(Cc3ccc(OC)c(OC)c3)n2)cc1OC ZINC000002132351 551773061 /nfs/dbraw/zinc/77/30/61/551773061.db2.gz FBDMNTKWCITLIN-UHFFFAOYSA-N 0 0 531.609 4.959 50 0 biogenic KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C3/S/C(=N\c4ccc(Cl)cc4)NC3=O)c2)cc1 ZINC000002132738 551773059 /nfs/dbraw/zinc/77/30/59/551773059.db2.gz ZOODMRAFZLGLTN-HYARGMPZSA-N 0 0 528.011 4.958 50 0 KJAARN C[C@@H](CNC(=O)COc1ccc(Br)cc1Cl)NC(=O)COc1ccc(Br)cc1Cl ZINC000002135814 551773658 /nfs/dbraw/zinc/77/36/58/551773658.db2.gz NHYDZIVCFLDRMZ-NSHDSACASA-N 0 0 569.077 4.597 50 0 KJAARN C[C@H](CNC(=O)COc1ccc(Br)cc1Cl)NC(=O)COc1ccc(Br)cc1Cl ZINC000002135819 551773638 /nfs/dbraw/zinc/77/36/38/551773638.db2.gz NHYDZIVCFLDRMZ-LLVKDONJSA-N 0 0 569.077 4.597 50 0 KJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(N)=O)CC1)occ3-c1ccc(Br)cc1 ZINC000002136607 551773645 /nfs/dbraw/zinc/77/36/45/551773645.db2.gz LDJJZCNSTOTKBR-UHFFFAOYSA-N 0 0 523.383 4.544 50 0 biogenic KJAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2ccc(I)o2)N1c1ccc(N2CCOCC2)cc1 ZINC000002138282 551774249 /nfs/dbraw/zinc/77/42/49/551774249.db2.gz GVOMKQKRUMTQQU-VWLOTQADSA-N 0 0 556.404 4.957 50 0 KJAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccc(I)o2)N1c1ccc(N2CCOCC2)cc1 ZINC000002138283 551774211 /nfs/dbraw/zinc/77/42/11/551774211.db2.gz GVOMKQKRUMTQQU-RUZDIDTESA-N 0 0 556.404 4.957 50 0 KJAARN CCOC(=O)[C@@H](C)Oc1ccc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)Nc2ccc(C)cc2)cc1 ZINC000002143057 551775298 /nfs/dbraw/zinc/77/52/98/551775298.db2.gz PWPYYSAGZXNBCV-BCHFMIIMSA-N 0 0 515.635 4.894 50 0 KJAARN CCOC(=O)[C@H](C)Oc1ccc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)Nc2ccc(C)cc2)cc1 ZINC000002143058 551775311 /nfs/dbraw/zinc/77/53/11/551775311.db2.gz PWPYYSAGZXNBCV-SIBVEZHUSA-N 0 0 515.635 4.894 50 0 KJAARN CCOC(=O)[C@@H](C)Oc1ccc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)Nc2ccc(C)cc2)cc1 ZINC000002143060 551775313 /nfs/dbraw/zinc/77/53/13/551775313.db2.gz PWPYYSAGZXNBCV-NIYFSFCBSA-N 0 0 515.635 4.894 50 0 KJAARN CCOC(=O)[C@H](C)Oc1ccc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)Nc2ccc(C)cc2)cc1 ZINC000002143062 551775289 /nfs/dbraw/zinc/77/52/89/551775289.db2.gz PWPYYSAGZXNBCV-AFMDSPMNSA-N 0 0 515.635 4.894 50 0 KJAARN CCOc1c(I)cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC ZINC000002143069 551775303 /nfs/dbraw/zinc/77/53/03/551775303.db2.gz SRNJQQREJHMOAW-IBGZPJMESA-N 0 0 537.423 4.850 50 0 KJAARN CCOc1c(I)cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC ZINC000002143071 551775316 /nfs/dbraw/zinc/77/53/16/551775316.db2.gz SRNJQQREJHMOAW-LJQANCHMSA-N 0 0 537.423 4.850 50 0 KJAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)n2C)c1 ZINC000002143506 551775601 /nfs/dbraw/zinc/77/56/01/551775601.db2.gz IUXLXHMJBLJPSS-UHFFFAOYSA-N 0 0 513.048 4.561 50 0 KJAARN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000002143510 551775538 /nfs/dbraw/zinc/77/55/38/551775538.db2.gz LOILHSRGUCWGMW-JOCHJYFZSA-N 0 0 554.742 4.504 50 0 KJAARN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000002143512 551775560 /nfs/dbraw/zinc/77/55/60/551775560.db2.gz LOILHSRGUCWGMW-QFIPXVFZSA-N 0 0 554.742 4.504 50 0 KJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4c[nH]c5ccccc45)CC(=O)N32)cc1 ZINC000002147804 551776497 /nfs/dbraw/zinc/77/64/97/551776497.db2.gz BENVPLAKPYUJML-FIBWVYCGSA-N 0 0 504.590 4.585 50 0 biogenic KJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4c[nH]c5ccccc45)CC(=O)N23)cc1 ZINC000002147809 551776488 /nfs/dbraw/zinc/77/64/88/551776488.db2.gz BENVPLAKPYUJML-BHBYDHKZSA-N 0 0 504.590 4.585 50 0 biogenic KJAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](Cc3c[nH]c4ccccc34)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002148066 551776535 /nfs/dbraw/zinc/77/65/35/551776535.db2.gz QETHGVXTRYZVFG-AREMUKBSSA-N 0 0 544.629 4.949 50 0 KJAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](Cc3c[nH]c4ccccc34)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002148069 551776556 /nfs/dbraw/zinc/77/65/56/551776556.db2.gz QETHGVXTRYZVFG-SANMLTNESA-N 0 0 544.629 4.949 50 0 biogenic KJAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002148171 551776791 /nfs/dbraw/zinc/77/67/91/551776791.db2.gz IMKWSSXRLJFHNW-VWLOTQADSA-N 0 0 505.592 4.663 50 0 biogenic KJAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002148174 551776798 /nfs/dbraw/zinc/77/67/98/551776798.db2.gz IMKWSSXRLJFHNW-RUZDIDTESA-N 0 0 505.592 4.663 50 0 biogenic KJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002148200 551776799 /nfs/dbraw/zinc/77/67/99/551776799.db2.gz YJOGAXGIUQOHAY-RUZDIDTESA-N 0 0 519.619 4.858 50 0 KJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002148203 551776777 /nfs/dbraw/zinc/77/67/77/551776777.db2.gz YJOGAXGIUQOHAY-VWLOTQADSA-N 0 0 519.619 4.858 50 0 biogenic KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002148276 551776768 /nfs/dbraw/zinc/77/67/68/551776768.db2.gz GGAXUDHLIQXPKP-LAUBZIAYSA-N 0 0 572.658 4.915 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002148283 551776786 /nfs/dbraw/zinc/77/67/86/551776786.db2.gz GGAXUDHLIQXPKP-HDFSHUSISA-N 0 0 572.658 4.915 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002148288 551776790 /nfs/dbraw/zinc/77/67/90/551776790.db2.gz UEUKJOPHRBJFCN-LAUBZIAYSA-N 0 0 572.658 4.915 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002148296 551776801 /nfs/dbraw/zinc/77/68/01/551776801.db2.gz UEUKJOPHRBJFCN-HDFSHUSISA-N 0 0 572.658 4.915 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002148318 551776782 /nfs/dbraw/zinc/77/67/82/551776782.db2.gz AMGMSGHTAHVJBM-CMISJSSVSA-N 0 0 589.069 4.680 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002148327 551776800 /nfs/dbraw/zinc/77/68/00/551776800.db2.gz AMGMSGHTAHVJBM-DBXPASCUSA-N 0 0 589.069 4.680 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000002148336 551776889 /nfs/dbraw/zinc/77/68/89/551776889.db2.gz SYYWXIXEXMVQQW-FCYPAOMHSA-N 0 0 559.043 4.671 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002148346 551776910 /nfs/dbraw/zinc/77/69/10/551776910.db2.gz SYYWXIXEXMVQQW-KDSDTBODSA-N 0 0 559.043 4.671 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000002148356 551776883 /nfs/dbraw/zinc/77/68/83/551776883.db2.gz RSLXEBSZKRVEOS-FCYPAOMHSA-N 0 0 559.043 4.671 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002148366 551776900 /nfs/dbraw/zinc/77/69/00/551776900.db2.gz RSLXEBSZKRVEOS-KDSDTBODSA-N 0 0 559.043 4.671 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002148583 551777191 /nfs/dbraw/zinc/77/71/91/551777191.db2.gz NRQTVLKIBMIFAP-CMISJSSVSA-N 0 0 589.069 4.680 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002148593 551777156 /nfs/dbraw/zinc/77/71/56/551777156.db2.gz NRQTVLKIBMIFAP-DBXPASCUSA-N 0 0 589.069 4.680 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002148601 551777122 /nfs/dbraw/zinc/77/71/22/551777122.db2.gz RFPLHQLMBYZYQT-CMISJSSVSA-N 0 0 589.069 4.680 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002148609 551777176 /nfs/dbraw/zinc/77/71/76/551777176.db2.gz RFPLHQLMBYZYQT-DBXPASCUSA-N 0 0 589.069 4.680 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 ZINC000002148754 551777130 /nfs/dbraw/zinc/77/71/30/551777130.db2.gz RJWYPBIGXYUNLZ-DEOSSOPVSA-N 0 0 505.592 4.522 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 ZINC000002148757 551777171 /nfs/dbraw/zinc/77/71/71/551777171.db2.gz RJWYPBIGXYUNLZ-XMMPIXPASA-N 0 0 505.592 4.522 50 0 KJAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N32)cc1 ZINC000002148759 551777149 /nfs/dbraw/zinc/77/71/49/551777149.db2.gz WMPONKQYHQEEPD-QCDSWUKFSA-N 0 0 507.590 4.905 50 0 biogenic KJAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N23)cc1 ZINC000002148762 551777147 /nfs/dbraw/zinc/77/71/47/551777147.db2.gz WMPONKQYHQEEPD-SETSBSEESA-N 0 0 507.590 4.905 50 0 biogenic KJAARN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N1 ZINC000002149132 551777439 /nfs/dbraw/zinc/77/74/39/551777439.db2.gz OZAMBYDRBNRIKZ-ZYSRDMNZSA-N 0 0 542.657 4.749 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N1 ZINC000002149140 551777441 /nfs/dbraw/zinc/77/74/41/551777441.db2.gz OZAMBYDRBNRIKZ-QPWQWLJXSA-N 0 0 542.657 4.749 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=N1 ZINC000002149150 1066502965 /nfs/dbraw/zinc/50/29/65/1066502965.db2.gz JORKQNASMPJDPL-ZYSRDMNZSA-N 0 0 542.657 4.749 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=N1 ZINC000002149156 1066502865 /nfs/dbraw/zinc/50/28/65/1066502865.db2.gz JORKQNASMPJDPL-QPWQWLJXSA-N 0 0 542.657 4.749 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3F)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002149184 551777489 /nfs/dbraw/zinc/77/74/89/551777489.db2.gz ZNMRAGHSEOXHIB-BIWBSIMWSA-N 0 0 546.595 4.656 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3F)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002149192 551777447 /nfs/dbraw/zinc/77/74/47/551777447.db2.gz ZNMRAGHSEOXHIB-ZGOFBEGVSA-N 0 0 546.595 4.656 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000002149223 551777451 /nfs/dbraw/zinc/77/74/51/551777451.db2.gz QKCWOISHWFVMPC-LRUGRNCASA-N 0 0 551.668 4.760 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000002149230 551777528 /nfs/dbraw/zinc/77/75/28/551777528.db2.gz QKCWOISHWFVMPC-FQWZWQHVSA-N 0 0 551.668 4.760 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(OC(C)=O)cc3)sc2=N1 ZINC000002149285 551777542 /nfs/dbraw/zinc/77/75/42/551777542.db2.gz WZIRHWVNEAXHCD-GBIJUZDQSA-N 0 0 570.667 4.666 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc(OC(C)=O)cc3)sc2=N1 ZINC000002149292 551777550 /nfs/dbraw/zinc/77/75/50/551777550.db2.gz WZIRHWVNEAXHCD-JQTKYWOZSA-N 0 0 570.667 4.666 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc4c(c3)OCCO4)sc2=N1 ZINC000002149299 551777575 /nfs/dbraw/zinc/77/75/75/551777575.db2.gz AOTDVWQPSCFEPR-GBIJUZDQSA-N 0 0 570.667 4.512 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000002149301 551777545 /nfs/dbraw/zinc/77/75/45/551777545.db2.gz CLNINCKNQNEOTI-MHZLTWQESA-N 0 0 542.613 4.567 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000002149305 551777513 /nfs/dbraw/zinc/77/75/13/551777513.db2.gz CLNINCKNQNEOTI-HHHXNRCGSA-N 0 0 542.613 4.567 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3ccc4c(c3)OCCO4)sc2=N1 ZINC000002149306 551777564 /nfs/dbraw/zinc/77/75/64/551777564.db2.gz AOTDVWQPSCFEPR-JQTKYWOZSA-N 0 0 570.667 4.512 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3cc(OC)ccc3OC)sc2=N1 ZINC000002149327 551777567 /nfs/dbraw/zinc/77/75/67/551777567.db2.gz PVEOVDDVJXVXBK-GBIJUZDQSA-N 0 0 572.683 4.758 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C/c3cc(OC)ccc3OC)sc2=N1 ZINC000002149330 551777578 /nfs/dbraw/zinc/77/75/78/551777578.db2.gz PVEOVDDVJXVXBK-JQTKYWOZSA-N 0 0 572.683 4.758 50 0 KJAARN CCCCc1cc(=O)oc2cc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C(=O)OC)c(Cl)cc12 ZINC000002150128 551777910 /nfs/dbraw/zinc/77/79/10/551777910.db2.gz QNQXIMBSSPETOS-HSZRJFAPSA-N 0 0 522.985 4.776 50 0 KJAARN COc1cc(-c2nnc(SCC3(c4ccc(Br)cc4)OCCO3)o2)cc(OC)c1OC ZINC000002150309 551777971 /nfs/dbraw/zinc/77/79/71/551777971.db2.gz IZSZZJDSJPYAKQ-UHFFFAOYSA-N 0 0 509.378 4.517 50 0 KJAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccc(Cl)cc4)CC(=O)N32)cc(OC)c1OC ZINC000002150354 551777960 /nfs/dbraw/zinc/77/79/60/551777960.db2.gz JXIPAZKVTPCLBD-LXFBAYGMSA-N 0 0 546.023 4.732 50 0 biogenic KJAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccc(Cl)cc4)CC(=O)N32)cc(OC)c1OC ZINC000002150358 551777926 /nfs/dbraw/zinc/77/79/26/551777926.db2.gz JXIPAZKVTPCLBD-QDPGVEIFSA-N 0 0 546.023 4.732 50 0 biogenic KJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c12 ZINC000002150547 551778175 /nfs/dbraw/zinc/77/81/75/551778175.db2.gz JGXVNGFPHHCGFG-HHHXNRCGSA-N 0 0 505.592 4.988 50 0 biogenic KJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c12 ZINC000002150550 551778148 /nfs/dbraw/zinc/77/81/48/551778148.db2.gz JGXVNGFPHHCGFG-MHZLTWQESA-N 0 0 505.592 4.988 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000002151602 551778553 /nfs/dbraw/zinc/77/85/53/551778553.db2.gz PEZBBMDEQWTDNV-VWLOTQADSA-N 0 0 530.602 4.695 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000002151604 551778545 /nfs/dbraw/zinc/77/85/45/551778545.db2.gz PEZBBMDEQWTDNV-RUZDIDTESA-N 0 0 530.602 4.695 50 0 KJAARN COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)CCCNS(=O)(=O)c4ccc(C)cc4)ccc23)cc1 ZINC000002151671 551778560 /nfs/dbraw/zinc/77/85/60/551778560.db2.gz YQDAFWWFDMQVDX-UHFFFAOYSA-N 0 0 521.591 4.750 50 0 biogenic KJAARN Cc1cc(-c2nn(C)c(=O)c3ccccc32)cc(C)c1OS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000002152876 551779201 /nfs/dbraw/zinc/77/92/01/551779201.db2.gz HYWIGGCSSGVWDK-UHFFFAOYSA-N 0 0 504.486 4.884 50 0 KJAARN COc1ccc(/C=C2/N=C(SCC(=O)NCCc3ccc(OC)c(OC)c3)N(c3ccccc3)C2=O)cc1 ZINC000002153491 551779389 /nfs/dbraw/zinc/77/93/89/551779389.db2.gz NDVRBGXLIYJKGA-JJIBRWJFSA-N 0 0 531.634 4.548 50 0 KJAARN Cc1[nH]c2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000002154757 551779569 /nfs/dbraw/zinc/77/95/69/551779569.db2.gz KHTPLZYIUOQZRL-RWTNITNYSA-N 0 0 506.027 4.630 50 0 KJAARN Cc1[nH]c2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000002154765 551779561 /nfs/dbraw/zinc/77/95/61/551779561.db2.gz KHTPLZYIUOQZRL-MFUBYVTQSA-N 0 0 506.027 4.630 50 0 KJAARN CC1=CC2(C)[C@@H]3C(=O)N(c4ccc(OC(F)(F)F)cc4)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]12 ZINC000002155211 551779546 /nfs/dbraw/zinc/77/95/46/551779546.db2.gz WTEFPNPOXRWSGL-AMTVHNDQSA-N 0 0 594.464 4.991 50 0 KJAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(Cl)cc4)CC(=O)N32)c1 ZINC000002155819 551779532 /nfs/dbraw/zinc/77/95/32/551779532.db2.gz UMXUPIHGDMDSGI-SVEHJYQDSA-N 0 0 530.024 4.766 50 0 biogenic KJAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(Cl)cc4)CC(=O)N23)c1 ZINC000002155822 551779567 /nfs/dbraw/zinc/77/95/67/551779567.db2.gz UMXUPIHGDMDSGI-ABYGYWHVSA-N 0 0 530.024 4.766 50 0 biogenic KJAARN Cn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc2nc(SCC(=O)N4CCCC4)sc2c1)CCCC3 ZINC000002156647 551779687 /nfs/dbraw/zinc/77/96/87/551779687.db2.gz BUJPKIXCVPCDAH-UHFFFAOYSA-N 0 0 585.802 4.929 50 0 KJAARN Cn1nnnc1SCC(=O)Nc1ccc2nc(SCC(=O)n3c4c(c5c3CCCC5)CCCC4)sc2c1 ZINC000002156650 551779738 /nfs/dbraw/zinc/77/97/38/551779738.db2.gz QKTPLZRQOAMERW-UHFFFAOYSA-N 0 0 553.739 4.542 50 0 KJAARN COc1cc(OC)c(OC)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000002156787 551779897 /nfs/dbraw/zinc/77/98/97/551779897.db2.gz PNMAIHWIPMRDFL-UPWSPCOFSA-N 0 0 545.060 4.998 50 0 KJAARN COc1cc(OC)c(OC)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000002156792 551779919 /nfs/dbraw/zinc/77/99/19/551779919.db2.gz PNMAIHWIPMRDFL-ZJTZAHLKSA-N 0 0 545.060 4.998 50 0 KJAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000002156828 551779929 /nfs/dbraw/zinc/77/99/29/551779929.db2.gz RIBSFNYSIVNNTB-HRIDGTDGSA-N 0 0 524.642 4.735 50 0 KJAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000002156834 551779907 /nfs/dbraw/zinc/77/99/07/551779907.db2.gz RIBSFNYSIVNNTB-NULZLWRNSA-N 0 0 524.642 4.735 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002156973 551779904 /nfs/dbraw/zinc/77/99/04/551779904.db2.gz WIBXTRJUQQPJFX-LKWZWFHSSA-N 0 0 559.043 4.626 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002156981 551779931 /nfs/dbraw/zinc/77/99/31/551779931.db2.gz WIBXTRJUQQPJFX-KLKBWYFJSA-N 0 0 559.043 4.626 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002157704 551780138 /nfs/dbraw/zinc/78/01/38/551780138.db2.gz ZJHYDBSLJDDHMB-XQNSMLJCSA-N 0 0 556.482 4.804 50 0 KJAARN COc1ccc(CN2CC(=O)N3[C@H](CCc4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002158280 551780101 /nfs/dbraw/zinc/78/01/01/551780101.db2.gz NMWYBLSPCHFMRD-FTJBHMTQSA-N 0 0 509.606 4.655 50 0 biogenic KJAARN COc1ccc(CN2CC(=O)N3[C@@H](CCc4ccccc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000002158283 551780082 /nfs/dbraw/zinc/78/00/82/551780082.db2.gz NMWYBLSPCHFMRD-UIOOFZCWSA-N 0 0 509.606 4.655 50 0 biogenic KJAARN Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(N)s4)cc3s2)c1C ZINC000002162809 551781126 /nfs/dbraw/zinc/78/11/26/551781126.db2.gz BYAAIVBYHYAHNW-UHFFFAOYSA-N 0 0 516.699 4.808 50 0 KJAARN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n21 ZINC000002162945 551781118 /nfs/dbraw/zinc/78/11/18/551781118.db2.gz UUIWIGZVNBQVKI-WHNPURCTSA-N 0 0 542.657 4.749 50 0 KJAARN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n21 ZINC000002162950 551781132 /nfs/dbraw/zinc/78/11/32/551781132.db2.gz UUIWIGZVNBQVKI-HPFVHPJRSA-N 0 0 542.657 4.749 50 0 KJAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000002163698 551781397 /nfs/dbraw/zinc/78/13/97/551781397.db2.gz JLONISFREJHVOV-MRXNPFEDSA-N 0 0 506.657 4.952 50 0 KJAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000002163700 551781333 /nfs/dbraw/zinc/78/13/33/551781333.db2.gz JLONISFREJHVOV-INIZCTEOSA-N 0 0 506.657 4.952 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3Cl)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002163969 551781348 /nfs/dbraw/zinc/78/13/48/551781348.db2.gz QHMYWUZHASAZFW-OWMRDYPQSA-N 0 0 507.826 4.759 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002163974 551781575 /nfs/dbraw/zinc/78/15/75/551781575.db2.gz QHMYWUZHASAZFW-ZZODWALSSA-N 0 0 507.826 4.759 50 0 KJAARN Cn1nnnc1SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc4c5c(cccc53)CC4)sc2c1 ZINC000002164193 551781592 /nfs/dbraw/zinc/78/15/92/551781592.db2.gz WKPXAYORUOMZFB-UHFFFAOYSA-N 0 0 547.691 4.533 50 0 KJAARN CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000002169477 551782144 /nfs/dbraw/zinc/78/21/44/551782144.db2.gz USJKPOZTSFSPTN-UHFFFAOYSA-N 0 0 568.765 4.552 50 0 KJAARN COC(=O)C1=C(N)Oc2cc(N(C)C)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000002170021 551782212 /nfs/dbraw/zinc/78/22/12/551782212.db2.gz JVGTXRYGCOYCGE-HSZRJFAPSA-N 0 0 509.400 4.962 50 0 KJAARN COC(=O)C1=C(N)Oc2cc(N(C)C)ccc2[C@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000002170023 551782135 /nfs/dbraw/zinc/78/21/35/551782135.db2.gz JVGTXRYGCOYCGE-QHCPKHFHSA-N 0 0 509.400 4.962 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000002173709 551782548 /nfs/dbraw/zinc/78/25/48/551782548.db2.gz FQBXFZWXOHICIS-OINPTKSXSA-N 0 0 579.678 4.964 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000002173716 551782540 /nfs/dbraw/zinc/78/25/40/551782540.db2.gz FQBXFZWXOHICIS-FWESEHMYSA-N 0 0 579.678 4.964 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002173811 551782664 /nfs/dbraw/zinc/78/26/64/551782664.db2.gz NNUXLLNIFICBMX-SFKHYTNKSA-N 0 0 563.635 4.675 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002173817 551782656 /nfs/dbraw/zinc/78/26/56/551782656.db2.gz NNUXLLNIFICBMX-CWJUKMOQSA-N 0 0 563.635 4.675 50 0 KJAARN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br ZINC000002173892 551782683 /nfs/dbraw/zinc/78/26/83/551782683.db2.gz RHUYTTYXKGWTPO-ZRELAVNMSA-N 0 0 561.885 4.611 50 0 KJAARN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br ZINC000002173894 551782686 /nfs/dbraw/zinc/78/26/86/551782686.db2.gz RHUYTTYXKGWTPO-AFHVAHMMSA-N 0 0 561.885 4.611 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4cccc(OC)c4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002173908 551782699 /nfs/dbraw/zinc/78/26/99/551782699.db2.gz VKDYBULDYMCDDZ-MHRPSJHKSA-N 0 0 593.661 4.684 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4cccc(OC)c4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002173910 551782632 /nfs/dbraw/zinc/78/26/32/551782632.db2.gz VKDYBULDYMCDDZ-JDKSNUEYSA-N 0 0 593.661 4.684 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002174038 551782852 /nfs/dbraw/zinc/78/28/52/551782852.db2.gz WIZIGDBOFFKSBP-VFHYMGCCSA-N 0 0 549.023 4.737 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002174040 551782853 /nfs/dbraw/zinc/78/28/53/551782853.db2.gz WIZIGDBOFFKSBP-HZHYMEEXSA-N 0 0 549.023 4.737 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002174147 551782864 /nfs/dbraw/zinc/78/28/64/551782864.db2.gz LYLQXTBUDQXKAG-VFHYMGCCSA-N 0 0 579.049 4.745 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002174149 551782850 /nfs/dbraw/zinc/78/28/50/551782850.db2.gz LYLQXTBUDQXKAG-HZHYMEEXSA-N 0 0 579.049 4.745 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002174187 551783074 /nfs/dbraw/zinc/78/30/74/551783074.db2.gz DTNPPAMFGSGSQG-FBRKSOCZSA-N 0 0 537.616 4.566 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002174189 551783089 /nfs/dbraw/zinc/78/30/89/551783089.db2.gz DTNPPAMFGSGSQG-ZPVURNRZSA-N 0 0 537.616 4.566 50 0 KJAARN Cc1cccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 ZINC000002175293 551783204 /nfs/dbraw/zinc/78/32/04/551783204.db2.gz BDWCJDWORMJNDC-ITYMFSOSSA-N 0 0 566.249 4.545 50 0 KJAARN Cc1cccc(C(=O)NN2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 ZINC000002175294 551783258 /nfs/dbraw/zinc/78/32/58/551783258.db2.gz BDWCJDWORMJNDC-JGSRLKPESA-N 0 0 566.249 4.545 50 0 KJAARN Cc1cccc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 ZINC000002175296 551783223 /nfs/dbraw/zinc/78/32/23/551783223.db2.gz BDWCJDWORMJNDC-QJMPUOCTSA-N 0 0 566.249 4.545 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000002175858 551783206 /nfs/dbraw/zinc/78/32/06/551783206.db2.gz OQGYEFNMZDXWGT-POKSHJSXSA-N 0 0 593.705 4.753 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000002175860 551783242 /nfs/dbraw/zinc/78/32/42/551783242.db2.gz OQGYEFNMZDXWGT-KUSDHMTMSA-N 0 0 593.705 4.753 50 0 KJAARN Cc1ccc(C(C)C)c(OCCn2c(=O)c3cc4c(cc3c2=O)c(=O)n(CCOc2cc(C)ccc2C(C)C)c4=O)c1 ZINC000002176422 551783239 /nfs/dbraw/zinc/78/32/39/551783239.db2.gz QMBIBEGKVMDKEY-UHFFFAOYSA-N 0 0 568.670 4.934 50 0 KJAARN O=c1c2cc3c(cc2c(=O)n1-c1ccc(Cl)c(Cl)c1)c(=O)n(-c1ccc(Cl)c(Cl)c1)c3=O ZINC000002176716 551783477 /nfs/dbraw/zinc/78/34/77/551783477.db2.gz GDYRLLPKTJLUBQ-UHFFFAOYSA-N 0 0 506.128 4.504 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000002177034 551783480 /nfs/dbraw/zinc/78/34/80/551783480.db2.gz JZJHLRQLVXSHJH-AFHVAHMMSA-N 0 0 547.460 4.512 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000002177036 551783446 /nfs/dbraw/zinc/78/34/46/551783446.db2.gz JZJHLRQLVXSHJH-ZRELAVNMSA-N 0 0 547.460 4.512 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000002177329 551783621 /nfs/dbraw/zinc/78/36/21/551783621.db2.gz ARDDXLMDBPMGIM-VEOZPNHKSA-N 0 0 539.682 4.797 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000002177331 551783587 /nfs/dbraw/zinc/78/35/87/551783587.db2.gz ARDDXLMDBPMGIM-ZEKHAJRLSA-N 0 0 539.682 4.797 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C4CC4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000002178227 551784302 /nfs/dbraw/zinc/78/43/02/551784302.db2.gz WQZLYZMNEHFUPT-VFHYMGCCSA-N 0 0 529.687 4.750 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(C4CC4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000002178229 551784289 /nfs/dbraw/zinc/78/42/89/551784289.db2.gz WQZLYZMNEHFUPT-HZHYMEEXSA-N 0 0 529.687 4.750 50 0 KJAARN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000002178380 551784303 /nfs/dbraw/zinc/78/43/03/551784303.db2.gz SYUIEKJHMFIMFR-CMISJSSVSA-N 0 0 524.667 4.827 50 0 KJAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002180159 551784937 /nfs/dbraw/zinc/78/49/37/551784937.db2.gz QPRLNXFIMOZJCW-DEDYPNTBSA-N 0 0 528.380 4.878 50 0 KJAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002180160 551785010 /nfs/dbraw/zinc/78/50/10/551785010.db2.gz QPRLNXFIMOZJCW-MOSHPQCFSA-N 0 0 528.380 4.878 50 0 KJAARN COc1ccc(Nc2nc(Nc3ccc(OC)c(OC)c3)nc(Sc3nnc(C)s3)n2)cc1OC ZINC000002183163 551785883 /nfs/dbraw/zinc/78/58/83/551785883.db2.gz DANCFYJCEXFKQT-UHFFFAOYSA-N 0 0 513.605 4.704 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000002185194 551786217 /nfs/dbraw/zinc/78/62/17/551786217.db2.gz FYUFPOKMPUACCH-GJFKPFFXSA-N 0 0 563.473 4.723 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000002185196 551786183 /nfs/dbraw/zinc/78/61/83/551786183.db2.gz FYUFPOKMPUACCH-LWUPDDLQSA-N 0 0 563.473 4.723 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002185308 551786433 /nfs/dbraw/zinc/78/64/33/551786433.db2.gz LPZPQMCOYODYNO-YVVITCHPSA-N 0 0 563.448 4.837 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002185310 551786418 /nfs/dbraw/zinc/78/64/18/551786418.db2.gz LPZPQMCOYODYNO-GJISQHIDSA-N 0 0 563.448 4.837 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000002185724 551786931 /nfs/dbraw/zinc/78/69/31/551786931.db2.gz IYYKIQYEEPQKFF-GELNIQQISA-N 0 0 562.647 4.803 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000002185726 551786910 /nfs/dbraw/zinc/78/69/10/551786910.db2.gz IYYKIQYEEPQKFF-VJUHFWBYSA-N 0 0 562.647 4.803 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000002185732 551786943 /nfs/dbraw/zinc/78/69/43/551786943.db2.gz BLCQXIILHAOWJR-GELNIQQISA-N 0 0 562.647 4.803 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000002185734 551786928 /nfs/dbraw/zinc/78/69/28/551786928.db2.gz BLCQXIILHAOWJR-VJUHFWBYSA-N 0 0 562.647 4.803 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)c2ccccc21 ZINC000002185776 551786900 /nfs/dbraw/zinc/78/69/00/551786900.db2.gz LDAGZTWPLBKXAA-GJFKPFFXSA-N 0 0 519.022 4.614 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000002185778 551786902 /nfs/dbraw/zinc/78/69/02/551786902.db2.gz LDAGZTWPLBKXAA-LWUPDDLQSA-N 0 0 519.022 4.614 50 0 KJAARN Nc1nnc(SCC(=O)Nc2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)s2)s1 ZINC000002186134 551787183 /nfs/dbraw/zinc/78/71/83/551787183.db2.gz DLJMAQJFEOEJEZ-UHFFFAOYSA-N 0 0 545.722 4.624 50 0 KJAARN Cn1nnnc1SCC(=O)Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000002186146 551787197 /nfs/dbraw/zinc/78/71/97/551787197.db2.gz FFFGMIYTAGUUIE-UHFFFAOYSA-N 0 0 507.464 4.605 50 0 KJAARN O=C(CSc1nc2ccc(NC(=O)CSc3nnnn3Cc3ccccc3)cc2s1)Nc1ccccc1 ZINC000002186185 551787158 /nfs/dbraw/zinc/78/71/58/551787158.db2.gz BKTUXONZAXMHHZ-UHFFFAOYSA-N 0 0 547.691 4.793 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nncn4C)cc3s2)cc1Cl ZINC000002186216 551787213 /nfs/dbraw/zinc/78/72/13/551787213.db2.gz XTKUHWIVPWVHNA-UHFFFAOYSA-N 0 0 519.077 4.848 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(C)s4)cc3s2)cc1 ZINC000002186223 551787208 /nfs/dbraw/zinc/78/72/08/551787208.db2.gz HBNZBWDWPUKGOR-UHFFFAOYSA-N 0 0 545.693 4.704 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc3c4cc(Br)ccc4n(C)c3n1)CCC2 ZINC000002186285 551787444 /nfs/dbraw/zinc/78/74/44/551787444.db2.gz OYPYAUSIGKKJMX-UHFFFAOYSA-N 0 0 546.472 4.737 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000002186299 551787448 /nfs/dbraw/zinc/78/74/48/551787448.db2.gz XLKYENZVOPGALZ-FGSNJIQSSA-N 0 0 519.667 4.505 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002186301 551787445 /nfs/dbraw/zinc/78/74/45/551787445.db2.gz XLKYENZVOPGALZ-LMTOTAIGSA-N 0 0 519.667 4.505 50 0 KJAARN CC[C@H](Sc1nnc2c3cc(Br)ccc3n(C)c2n1)C(=O)Nc1nnc(C(C)C)s1 ZINC000002186401 551787514 /nfs/dbraw/zinc/78/75/14/551787514.db2.gz YYGHGJFSEGYZTC-ZDUSSCGKSA-N 0 0 506.455 4.763 50 0 KJAARN CC[C@@H](Sc1nnc2c3cc(Br)ccc3n(C)c2n1)C(=O)Nc1nnc(C(C)C)s1 ZINC000002186402 551787517 /nfs/dbraw/zinc/78/75/17/551787517.db2.gz YYGHGJFSEGYZTC-CYBMUJFWSA-N 0 0 506.455 4.763 50 0 KJAARN Cc1ccc(S(=O)(=O)Oc2ccc([C@@]3(C)CC(C)(C)NC(=S)N3)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000002187062 551787956 /nfs/dbraw/zinc/78/79/56/551787956.db2.gz HFXPZAZOLLGVMY-HHHXNRCGSA-N 0 0 574.746 4.700 50 0 KJAARN Cc1ccc(S(=O)(=O)Oc2ccc([C@]3(C)CC(C)(C)NC(=S)N3)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000002187063 551787959 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NC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCCC4)cc1 ZINC000002263027 551804007 /nfs/dbraw/zinc/80/40/07/551804007.db2.gz MHQQJPTVZURYBV-UHFFFAOYSA-N 0 0 525.055 4.809 50 0 KJAARN CCCCn1c(=O)nc2n(-c3ccc(Br)cc3)c3c(cc-2c1=O)c(C)nn3-c1ccccc1 ZINC000002263289 551804011 /nfs/dbraw/zinc/80/40/11/551804011.db2.gz NMRMLSINJCVQPV-UHFFFAOYSA-N 0 0 504.388 4.709 50 0 KJAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)n2N)c1 ZINC000002264102 551804119 /nfs/dbraw/zinc/80/41/19/551804119.db2.gz TWWGLLACVSGAKJ-UHFFFAOYSA-N 0 0 502.625 4.983 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1F ZINC000002264520 551804358 /nfs/dbraw/zinc/80/43/58/551804358.db2.gz BLPFKMZSIOWWAP-IWIPYMOSSA-N 0 0 509.566 4.675 50 0 KJAARN COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2NC(=O)c2ccco2)CC(C)(C)OC4)o1 ZINC000002265994 552085352 /nfs/dbraw/zinc/08/53/52/552085352.db2.gz OBQIMHQHQBLEIC-UHFFFAOYSA-N 0 0 537.594 4.876 50 0 KJAARN 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COc1ccc(CNC(=O)c2c(N)n(-c3ccc(Br)cc3)c3nc4ccccc4nc32)cc1OC ZINC000002291545 552088606 /nfs/dbraw/zinc/08/86/06/552088606.db2.gz CFIVPMBDAJIRDK-UHFFFAOYSA-N 0 0 532.398 4.866 50 0 KJAARN CCCCOc1ccc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1 ZINC000002291835 552088582 /nfs/dbraw/zinc/08/85/82/552088582.db2.gz OBUGKOWEVZYQDY-UHFFFAOYSA-N 0 0 509.566 4.994 50 0 KJAARN COc1ccc(CCNC(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc32)cc1OC ZINC000002291889 552088596 /nfs/dbraw/zinc/08/85/96/552088596.db2.gz VHEWYBFURWWZQU-UHFFFAOYSA-N 0 0 501.974 4.799 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(-c2nnc(Nc3ccc(OCC(=O)NC)cc3)c3ccccc32)ccc1C ZINC000002291980 552088603 /nfs/dbraw/zinc/08/86/03/552088603.db2.gz ADFMIQHLVOWTRV-UHFFFAOYSA-N 0 0 533.654 4.504 50 0 KJAARN CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)c3ccccc32)cc1 ZINC000002294366 552089131 /nfs/dbraw/zinc/08/91/31/552089131.db2.gz BDVPYJOWQBJKEI-UHFFFAOYSA-N 0 0 533.654 4.550 50 0 KJAARN 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O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)N1CCN(c2ccccc2)CC1 ZINC000002311757 552090924 /nfs/dbraw/zinc/09/09/24/552090924.db2.gz AIFKVCYXDIADIY-UHFFFAOYSA-N 0 0 514.632 4.538 50 0 KJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(Cl)cc3)sc2=N1 ZINC000002313407 552091831 /nfs/dbraw/zinc/09/18/31/552091831.db2.gz GUADVBUGBYOVCX-DLBLZJNESA-N 0 0 503.986 4.666 50 0 KJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(Cl)cc3)sc2=N1 ZINC000002313409 552091832 /nfs/dbraw/zinc/09/18/32/552091832.db2.gz GUADVBUGBYOVCX-FCKOQQNDSA-N 0 0 503.986 4.666 50 0 KJAARN CCOCCCn1c(N)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c2nc3ccccc3nc21 ZINC000002313944 552091878 /nfs/dbraw/zinc/09/18/78/552091878.db2.gz NOUBTBVLOGFKPJ-UHFFFAOYSA-N 0 0 507.616 4.573 50 0 KJAARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(I)cc1 ZINC000002314590 552092217 /nfs/dbraw/zinc/09/22/17/552092217.db2.gz BZLSMTCNTRQRRH-UHFFFAOYSA-N 0 0 533.373 4.733 50 0 KJAARN 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Cc1ccc(-c2nnc(SCC(=O)Nc3c(Br)cc(C)cc3Br)n2N)cc1 ZINC000002377007 552107031 /nfs/dbraw/zinc/10/70/31/552107031.db2.gz JQWXSRTXRREDHY-UHFFFAOYSA-N 0 0 511.243 4.532 50 0 KJAARN CC(=O)c1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccc(Cl)cc3)c2=O)CC(C)(C)OC4)cc1 ZINC000002381771 552107586 /nfs/dbraw/zinc/10/75/86/552107586.db2.gz SJQVXAZDVYRVFJ-UHFFFAOYSA-N 0 0 538.025 4.560 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC ZINC000002381801 552107569 /nfs/dbraw/zinc/10/75/69/552107569.db2.gz MQSFOPHDVSZDNL-XYGWBWBKSA-N 0 0 521.602 4.544 50 0 KJAARN CCCSc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nccs4)n21)CC(C)(C)OC3 ZINC000002381926 552107575 /nfs/dbraw/zinc/10/75/75/552107575.db2.gz ARNYAKRBMHZJQI-UHFFFAOYSA-N 0 0 506.704 4.880 50 0 KJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N)ccc21 ZINC000002382559 552107798 /nfs/dbraw/zinc/10/77/98/552107798.db2.gz HJGJAFYTACUUQX-UHFFFAOYSA-N 0 0 532.626 4.543 50 0 KJAARN Cc1cc(Br)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c(Br)c1 ZINC000002383428 552107788 /nfs/dbraw/zinc/10/77/88/552107788.db2.gz SEYPUWONUNVWGL-UHFFFAOYSA-N 0 0 531.661 4.877 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1 ZINC000002384925 552108059 /nfs/dbraw/zinc/10/80/59/552108059.db2.gz NYMBCPZBUSRCOS-UHFFFAOYSA-N 0 0 508.625 4.667 50 0 KJAARN COc1ccc(-c2nc3s/c(=C\c4ccc(-c5cc(Cl)ccc5Cl)o4)c(=O)n3n2)cc1OC ZINC000002386217 552108398 /nfs/dbraw/zinc/10/83/98/552108398.db2.gz FVNJFEFMZNGGKO-JAIQZWGSSA-N 0 0 500.363 4.950 50 0 KJAARN Cc1cccc(-n2c(=O)c3cc(I)ccc3nc2S[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000002386434 552108395 /nfs/dbraw/zinc/10/83/95/552108395.db2.gz HJUHXZOCTWHBIV-INIZCTEOSA-N 0 0 533.435 4.792 50 0 KJAARN Cc1cccc(-n2c(=O)c3cc(I)ccc3nc2S[C@H](C)C(=O)N2CCCCC2)c1 ZINC000002386437 552108347 /nfs/dbraw/zinc/10/83/47/552108347.db2.gz HJUHXZOCTWHBIV-MRXNPFEDSA-N 0 0 533.435 4.792 50 0 KJAARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2ccc3c(c2)OCO3)CCCC4)cc1 ZINC000002388285 552108428 /nfs/dbraw/zinc/10/84/28/552108428.db2.gz WZOIOPDDMDTYRM-UHFFFAOYSA-N 0 0 521.620 4.794 50 0 KJAARN COc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(Cl)c(Cl)c5)o4)c(=O)n3n2)cc1OC ZINC000002388450 552108486 /nfs/dbraw/zinc/10/84/86/552108486.db2.gz BTRHKUJUJOQMQK-JAIQZWGSSA-N 0 0 500.363 4.950 50 0 KJAARN COC(=O)c1ccc(N[C@@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000002389043 552108581 /nfs/dbraw/zinc/10/85/81/552108581.db2.gz FZOFBDFHQNZSJB-INIZCTEOSA-N 0 0 527.573 4.616 50 0 KJAARN COC(=O)c1ccccc1N[C@@H](NC(=O)c1cccc(I)c1)C(Cl)(Cl)Cl ZINC000002389044 552108483 /nfs/dbraw/zinc/10/84/83/552108483.db2.gz LTIZFFPZYOXFKY-INIZCTEOSA-N 0 0 527.573 4.616 50 0 KJAARN CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1 ZINC000002390652 552109036 /nfs/dbraw/zinc/10/90/36/552109036.db2.gz WCDBMVJOULLEIH-MYYYXRDXSA-N 0 0 520.618 4.648 50 0 KJAARN NC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Br)cc2)CCCC4)cc1 ZINC000002390689 552109153 /nfs/dbraw/zinc/10/91/53/552109153.db2.gz UVLBTFIPMMELBP-UHFFFAOYSA-N 0 0 569.506 4.918 50 0 KJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1c(F)cc(F)cc1Br ZINC000002391870 552109293 /nfs/dbraw/zinc/10/92/93/552109293.db2.gz ZEBNEAJMTLCCDN-UHFFFAOYSA-N 0 0 506.332 4.753 50 0 KJAARN CCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nnc1-c1cccnc1 ZINC000002393718 552109703 /nfs/dbraw/zinc/10/97/03/552109703.db2.gz JJTZJAVNFGYODC-UHFFFAOYSA-N 0 0 511.243 4.924 50 0 KJAARN O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1c(F)cc(F)cc1Br ZINC000002396417 552110173 /nfs/dbraw/zinc/11/01/73/552110173.db2.gz PVPTUZAMFXYVNQ-UHFFFAOYSA-N 0 0 506.332 4.753 50 0 KJAARN Cc1cccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc5c(c4)C[C@@H](C)O5)c(=O)n3n2)c1 ZINC000002396524 552110230 /nfs/dbraw/zinc/11/02/30/552110230.db2.gz CZWXAVFBQLBSIZ-NLULDLIBSA-N 0 0 517.614 4.850 50 0 KJAARN Cc1cccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc5c(c4)C[C@H](C)O5)c(=O)n3n2)c1 ZINC000002396526 552110176 /nfs/dbraw/zinc/11/01/76/552110176.db2.gz CZWXAVFBQLBSIZ-HPUZFYODSA-N 0 0 517.614 4.850 50 0 KJAARN CCOc1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccccc2)COC(C)(C)C4)cc1 ZINC000002397193 552110351 /nfs/dbraw/zinc/11/03/51/552110351.db2.gz JHVGKPOLTPLFMO-UHFFFAOYSA-N 0 0 516.623 4.762 50 0 KJAARN CCOc1ccc(CCNC(=O)c2c(N)n(-c3ccc(OC)cc3)c3nc4ccccc4nc32)cc1OCC ZINC000002397752 552110701 /nfs/dbraw/zinc/11/07/01/552110701.db2.gz FILDQIFNAXHLTC-UHFFFAOYSA-N 0 0 525.609 4.934 50 0 KJAARN COc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)c(=O)n2n1 ZINC000002399105 552111039 /nfs/dbraw/zinc/11/10/39/552111039.db2.gz JGWVOFUSFNMDGI-XYGWBWBKSA-N 0 0 505.603 4.844 50 0 KJAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)cc12 ZINC000002401252 552111515 /nfs/dbraw/zinc/11/15/15/552111515.db2.gz RMBMINZYMOGGGH-UHFFFAOYSA-N 0 0 522.696 4.974 50 0 KJAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000002401491 552111517 /nfs/dbraw/zinc/11/15/17/552111517.db2.gz IZEGFHVEQPXRSV-UHFFFAOYSA-N 0 0 509.912 4.549 50 0 KJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)s1 ZINC000002402013 552111523 /nfs/dbraw/zinc/11/15/23/552111523.db2.gz HCIXOYBAAKMVSB-IBGZPJMESA-N 0 0 513.959 4.636 50 0 KJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)s1 ZINC000002402014 552111432 /nfs/dbraw/zinc/11/14/32/552111432.db2.gz HCIXOYBAAKMVSB-LJQANCHMSA-N 0 0 513.959 4.636 50 0 KJAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000002402255 552111455 /nfs/dbraw/zinc/11/14/55/552111455.db2.gz JDXHFOUQDHGTTQ-SFHVURJKSA-N 0 0 511.353 4.857 50 0 KJAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000002402256 552111452 /nfs/dbraw/zinc/11/14/52/552111452.db2.gz JDXHFOUQDHGTTQ-GOSISDBHSA-N 0 0 511.353 4.857 50 0 KJAARN CCCOc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(C(=O)OCC)cc5)o4)c(=O)n3n2)cc1 ZINC000002403536 552111765 /nfs/dbraw/zinc/11/17/65/552111765.db2.gz DYTQGKYVTWGOQW-KQWNVCNZSA-N 0 0 501.564 4.591 50 0 KJAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)CC1 ZINC000002405119 552112283 /nfs/dbraw/zinc/11/22/83/552112283.db2.gz RMWWKUHADYPCAZ-UHFFFAOYSA-N 0 0 545.086 4.513 50 0 KJAARN COc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)n3nc(NC(=O)Cc4ccc(OC)c(OC)c4)nc3N2)cc1 ZINC000002406397 552112554 /nfs/dbraw/zinc/11/25/54/552112554.db2.gz LMDRZIBSMOYQAS-RPWUZVMVSA-N 0 0 529.597 4.640 50 0 KJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(OC)cc3)n3nc(NC(=O)Cc4ccc(OC)c(OC)c4)nc3N2)cc1 ZINC000002406398 552112507 /nfs/dbraw/zinc/11/25/07/552112507.db2.gz LMDRZIBSMOYQAS-ZEQRLZLVSA-N 0 0 529.597 4.640 50 0 KJAARN COc1ccc([C@H]2C[C@H](c3ccc(OC)cc3)n3nc(NC(=O)Cc4ccc(OC)c(OC)c4)nc3N2)cc1 ZINC000002406399 552112525 /nfs/dbraw/zinc/11/25/25/552112525.db2.gz LMDRZIBSMOYQAS-DNQXCXABSA-N 0 0 529.597 4.640 50 0 KJAARN COc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)Nc3nc(NC(=O)Cc4ccc(OC)c(OC)c4)nn32)cc1 ZINC000002406400 552112465 /nfs/dbraw/zinc/11/24/65/552112465.db2.gz LMDRZIBSMOYQAS-BJKOFHAPSA-N 0 0 529.597 4.640 50 0 KJAARN COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nccs2)cc(OC)c1OC ZINC000002406875 552112471 /nfs/dbraw/zinc/11/24/71/552112471.db2.gz YGVOHEUPERDWCJ-SFHVURJKSA-N 0 0 529.368 4.788 50 0 KJAARN COc1cc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nccs2)cc(OC)c1OC ZINC000002406876 552112489 /nfs/dbraw/zinc/11/24/89/552112489.db2.gz YGVOHEUPERDWCJ-GOSISDBHSA-N 0 0 529.368 4.788 50 0 KJAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c(Cl)cc12 ZINC000002409099 552113152 /nfs/dbraw/zinc/11/31/52/552113152.db2.gz AVJGLSSMWKHGEI-RUZDIDTESA-N 0 0 511.983 4.942 50 0 KJAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)c(Cl)cc12 ZINC000002409100 552113191 /nfs/dbraw/zinc/11/31/91/552113191.db2.gz AVJGLSSMWKHGEI-VWLOTQADSA-N 0 0 511.983 4.942 50 0 KJAARN COc1ccc(CCN2CN(S(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4nc32)cc1OC ZINC000002411016 552113664 /nfs/dbraw/zinc/11/36/64/552113664.db2.gz RJDMOUCJZGWSKQ-UHFFFAOYSA-N 0 0 511.003 4.516 50 0 KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000002412651 552113915 /nfs/dbraw/zinc/11/39/15/552113915.db2.gz HIWDNABESQCEPP-ZONZVBGPSA-N 0 0 544.560 4.645 50 0 KJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)cc12 ZINC000002413610 552114254 /nfs/dbraw/zinc/11/42/54/552114254.db2.gz ORZWQWLTLMWCFQ-UHFFFAOYSA-N 0 0 535.478 4.849 50 0 KJAARN CCOC(=O)CSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)C(CC)(CC)Cc2ccccc2-1 ZINC000002414101 552114227 /nfs/dbraw/zinc/11/42/27/552114227.db2.gz IAQCQPZMMMJESV-UHFFFAOYSA-N 0 0 502.640 4.875 50 0 KJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)cc12 ZINC000002414204 552114258 /nfs/dbraw/zinc/11/42/58/552114258.db2.gz PHOCMQOITOBDNU-UHFFFAOYSA-N 0 0 508.669 4.666 50 0 KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000002414884 552114549 /nfs/dbraw/zinc/11/45/49/552114549.db2.gz GZQFZDNPGFECFD-ZONZVBGPSA-N 0 0 526.570 4.505 50 0 KJAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2cc3oc(=O)c(Cc4ccccc4)c(C)c3cc2Cl)cc1 ZINC000002415009 552114535 /nfs/dbraw/zinc/11/45/35/552114535.db2.gz ZAAZZHLGGNWNAB-UHFFFAOYSA-N 0 0 526.010 4.928 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)c2ccccc2)cc1 ZINC000002415127 552114570 /nfs/dbraw/zinc/11/45/70/552114570.db2.gz QJLCKFGJUXJAQX-SANMLTNESA-N 0 0 503.576 4.524 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)c2ccccc2)cc1 ZINC000002415128 552114538 /nfs/dbraw/zinc/11/45/38/552114538.db2.gz QJLCKFGJUXJAQX-AREMUKBSSA-N 0 0 503.576 4.524 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1OC ZINC000002415208 552114474 /nfs/dbraw/zinc/11/44/74/552114474.db2.gz RBGICMFXZLZDCW-ZHZULCJRSA-N 0 0 500.418 4.706 50 0 KJAARN O=S(=O)(c1ccc(Br)s1)N1CCN(c2ncnc3scc(-c4cccs4)c32)CC1 ZINC000002417283 552115136 /nfs/dbraw/zinc/11/51/36/552115136.db2.gz GOKZDKVQSBCGQC-UHFFFAOYSA-N 0 0 527.516 4.755 50 0 KJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2ccc(I)cc2)cc1 ZINC000002417791 552115099 /nfs/dbraw/zinc/11/50/99/552115099.db2.gz SKONEDXDNAOAIN-UHFFFAOYSA-N 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CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1Br ZINC000002594857 552134250 /nfs/dbraw/zinc/13/42/50/552134250.db2.gz JQSMIZLDCUDEQS-UHFFFAOYSA-N 0 0 573.538 4.999 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002595229 552134292 /nfs/dbraw/zinc/13/42/92/552134292.db2.gz APTGZBNNYYZYTL-OINPTKSXSA-N 0 0 594.668 4.799 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002595231 552134257 /nfs/dbraw/zinc/13/42/57/552134257.db2.gz APTGZBNNYYZYTL-FWESEHMYSA-N 0 0 594.668 4.799 50 0 KJAARN COc1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)c(OC)c1 ZINC000002595750 552134265 /nfs/dbraw/zinc/13/42/65/552134265.db2.gz PHXSVZQZKDDWOA-UHFFFAOYSA-N 0 0 581.720 4.675 50 0 KJAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OCC(C)C)cc4)sc3nc2=O)cc1 ZINC000002604777 552135482 /nfs/dbraw/zinc/13/54/82/552135482.db2.gz DCQMOMXBHSZYTC-MIXAMLLLSA-N 0 0 591.693 4.546 50 0 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Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1Cl ZINC000002617308 552137035 /nfs/dbraw/zinc/13/70/35/552137035.db2.gz GFWWTOLDPCYARP-UHFFFAOYSA-N 0 0 542.828 4.971 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000002617441 552137220 /nfs/dbraw/zinc/13/72/20/552137220.db2.gz OPEKWYRILJMMMC-UHFFFAOYSA-N 0 0 523.636 4.789 50 0 KJAARN CN(C)S(=O)(=O)c1cccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCC4)c1 ZINC000002617817 552137266 /nfs/dbraw/zinc/13/72/66/552137266.db2.gz HPAPJAQAGVHPRS-UHFFFAOYSA-N 0 0 511.694 4.538 50 0 KJAARN O=c1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c2cc3c(cc2o1)CCC3 ZINC000002618040 552137236 /nfs/dbraw/zinc/13/72/36/552137236.db2.gz HGIFAILSUHYSTP-UHFFFAOYSA-N 0 0 523.636 4.799 50 0 KJAARN COc1ccc(-c2csc(NC(=O)CSc3nnc([C@H](C)N(C)C)n3-c3ccc(F)cc3)n2)cc1 ZINC000002618779 552137298 /nfs/dbraw/zinc/13/72/98/552137298.db2.gz OLSLOPGWLVJSSZ-HNNXBMFYSA-N 0 0 512.636 4.892 50 0 KJAARN 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526.471 4.684 50 0 KJAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)c2ccc4c(c2)NC(=O)CO4)sc2c3CCCC2)cc1 ZINC000002626059 552138733 /nfs/dbraw/zinc/13/87/33/552138733.db2.gz WUVNSZIQWFVWKO-UHFFFAOYSA-N 0 0 533.631 4.641 50 0 KJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c1 ZINC000002626722 552138897 /nfs/dbraw/zinc/13/88/97/552138897.db2.gz NIARWAOPKZGKKT-UHFFFAOYSA-N 0 0 530.533 4.753 50 0 KJAARN CCCCn1c(SCc2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)nnc1-c1ccc(OC)cc1 ZINC000002627124 552138876 /nfs/dbraw/zinc/13/88/76/552138876.db2.gz XMTBGWSFNZJMRD-UHFFFAOYSA-N 0 0 513.645 4.829 50 0 KJAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)[C@H]4CC(=O)N(c5ccc6c(c5)OCCO6)C4)cc3)sc2c1 ZINC000002627503 552138910 /nfs/dbraw/zinc/13/89/10/552138910.db2.gz OAAQAHFPUIQVND-IBGZPJMESA-N 0 0 543.601 4.578 50 0 KJAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)[C@@H]4CC(=O)N(c5ccc6c(c5)OCCO6)C4)cc3)sc2c1 ZINC000002627504 552138906 /nfs/dbraw/zinc/13/89/06/552138906.db2.gz OAAQAHFPUIQVND-LJQANCHMSA-N 0 0 543.601 4.578 50 0 KJAARN C[C@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc2C1 ZINC000002628051 552139195 /nfs/dbraw/zinc/13/91/95/552139195.db2.gz LTRLYLZLJKZFCD-VKXNWWILSA-N 0 0 535.600 4.840 50 0 KJAARN COc1cccc(-n2c(SCC(=O)c3ccc(C)cc3C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000002628748 552139198 /nfs/dbraw/zinc/13/91/98/552139198.db2.gz MTYQJBOUAZJIKR-UHFFFAOYSA-N 0 0 536.679 4.785 50 0 KJAARN CCOc1ccc(-n2c(=O)c3c(nc2S[C@@H](C)C(=O)NCc2ccc4c(c2)OCO4)sc2c3CCC2)cc1 ZINC000002628978 552139515 /nfs/dbraw/zinc/13/95/15/552139515.db2.gz KGZKLAXQMCRTIK-INIZCTEOSA-N 0 0 549.674 4.860 50 0 KJAARN CCOc1ccc(-n2c(=O)c3c(nc2S[C@H](C)C(=O)NCc2ccc4c(c2)OCO4)sc2c3CCC2)cc1 ZINC000002628979 552139498 /nfs/dbraw/zinc/13/94/98/552139498.db2.gz KGZKLAXQMCRTIK-MRXNPFEDSA-N 0 0 549.674 4.860 50 0 KJAARN CCOc1ccc(-n2c(SCc3nc(N)nc(Nc4ccccc4C)n3)nnc2-c2cccnc2)cc1 ZINC000002629626 552139550 /nfs/dbraw/zinc/13/95/50/552139550.db2.gz WJYUWYPLHAEJGY-UHFFFAOYSA-N 0 0 511.615 4.840 50 0 KJAARN NS(=O)(=O)c1ccc(CCNC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)cc1 ZINC000002630445 552139731 /nfs/dbraw/zinc/13/97/31/552139731.db2.gz KDSYFSFZAUWQKL-UHFFFAOYSA-N 0 0 501.029 4.998 50 0 KJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)n2)c1 ZINC000002631124 552140037 /nfs/dbraw/zinc/14/00/37/552140037.db2.gz OXICOQJLSLPHGJ-UHFFFAOYSA-N 0 0 508.021 4.518 50 0 KJAARN COc1ccc(N(CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000002631276 552140040 /nfs/dbraw/zinc/14/00/40/552140040.db2.gz IWYRVSHEZPKBGC-UHFFFAOYSA-N 0 0 504.612 4.640 50 0 KJAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)cc2)cc1 ZINC000002631787 552140047 /nfs/dbraw/zinc/14/00/47/552140047.db2.gz RUJWEMLMMPECPQ-UHFFFAOYSA-N 0 0 557.628 4.960 50 0 KJAARN CCc1ccc(NC(=O)CN2C(C)=C(C(=O)OC)C(c3ccccc3OC(F)F)C(C(=O)OC)=C2C)cc1 ZINC000002633198 552140263 /nfs/dbraw/zinc/14/02/63/552140263.db2.gz PVCJWDIKWRGLDK-UHFFFAOYSA-N 0 0 528.552 4.782 50 0 KJAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3Br)n2C)c1 ZINC000002633421 552140327 /nfs/dbraw/zinc/14/03/27/552140327.db2.gz COFSEJUIXJLXHU-UHFFFAOYSA-N 0 0 512.227 4.747 50 0 KJAARN COc1ccc(/C=C2/N=C(SCC(=O)Nc3ccc(C(N)=O)cc3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000002633665 552140450 /nfs/dbraw/zinc/14/04/50/552140450.db2.gz KXFZDBOTXHFBDN-LPYMAVHISA-N 0 0 551.024 4.572 50 0 KJAARN COc1ccc(/C=C2\N=C(SCC(=O)Nc3ccc(C(N)=O)cc3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000002633666 552140497 /nfs/dbraw/zinc/14/04/97/552140497.db2.gz KXFZDBOTXHFBDN-XKZIYDEJSA-N 0 0 551.024 4.572 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2-c2ccccc2C(C)C)cc1 ZINC000002633717 552140447 /nfs/dbraw/zinc/14/04/47/552140447.db2.gz YJMIIBWGWIHIEZ-UHFFFAOYSA-N 0 0 501.612 4.896 50 0 KJAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C ZINC000002633885 552140537 /nfs/dbraw/zinc/14/05/37/552140537.db2.gz ZRPNQUKPMKVICL-UHFFFAOYSA-N 0 0 507.037 4.894 50 0 KJAARN 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552196690 /nfs/dbraw/zinc/19/66/90/552196690.db2.gz DQVNJAPSQZDJIV-UHFFFAOYSA-N 0 0 520.471 4.602 50 0 KJAARN O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Br)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002807849 552196607 /nfs/dbraw/zinc/19/66/07/552196607.db2.gz CKFHWULSJHKSHC-AWEZNQCLSA-N 0 0 573.847 4.665 50 0 KJAARN O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Br)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002807850 552196619 /nfs/dbraw/zinc/19/66/19/552196619.db2.gz CKFHWULSJHKSHC-CQSZACIVSA-N 0 0 573.847 4.665 50 0 KJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Br)cc1 ZINC000002834705 552197367 /nfs/dbraw/zinc/19/73/67/552197367.db2.gz NKAKMDYBUQJGJB-UHFFFAOYSA-N 0 0 519.486 4.694 50 0 KJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(I)cc1C ZINC000002835330 552197410 /nfs/dbraw/zinc/19/74/10/552197410.db2.gz LANSIIKEYLIIAM-UHFFFAOYSA-N 0 0 506.413 4.841 50 0 KJAARN COc1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000002835568 552197363 /nfs/dbraw/zinc/19/73/63/552197363.db2.gz CMMLIUBQCXPMEG-UHFFFAOYSA-N 0 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CCNS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000002841402 552199147 /nfs/dbraw/zinc/19/91/47/552199147.db2.gz FBWQFFKWBPADOH-CQSZACIVSA-N 0 0 510.563 4.580 50 0 KJAARN O=C(Nc1ccc(I)cc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccco1 ZINC000002841680 552199124 /nfs/dbraw/zinc/19/91/24/552199124.db2.gz CNXDWHUAXOIHAE-UHFFFAOYSA-N 0 0 555.328 4.912 50 0 KJAARN Cc1cc(Br)c(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)cc1C ZINC000002841906 552199463 /nfs/dbraw/zinc/19/94/63/552199463.db2.gz MKQMQVLZEUFFNW-UHFFFAOYSA-N 0 0 522.856 4.509 50 0 KJAARN CC(C)c1cc(Br)ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C ZINC000002841907 552199484 /nfs/dbraw/zinc/19/94/84/552199484.db2.gz FIAJYQYMAPCJBL-OAHLLOKOSA-N 0 0 516.465 4.923 50 0 KJAARN CC(C)c1cc(Br)ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C ZINC000002841908 552199450 /nfs/dbraw/zinc/19/94/50/552199450.db2.gz FIAJYQYMAPCJBL-HNNXBMFYSA-N 0 0 516.465 4.923 50 0 KJAARN 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O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(Br)cc1 ZINC000002920975 552219940 /nfs/dbraw/zinc/21/99/40/552219940.db2.gz QIKPOXSPTLGLAR-UHFFFAOYSA-N 0 0 565.486 4.690 50 0 KJAARN O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(F)cc1 ZINC000002920983 552219999 /nfs/dbraw/zinc/21/99/99/552219999.db2.gz HFDXHUKEAROXBE-UHFFFAOYSA-N 0 0 504.649 4.618 50 0 KJAARN CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cc(Br)ccc1OC ZINC000002921115 552220279 /nfs/dbraw/zinc/22/02/79/552220279.db2.gz JWXZISCIDNYSPD-UHFFFAOYSA-N 0 0 560.441 4.968 50 0 KJAARN CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccccc1Br ZINC000002921119 552220224 /nfs/dbraw/zinc/22/02/24/552220224.db2.gz VLYHEXSFPHRIPL-UHFFFAOYSA-N 0 0 500.389 4.951 50 0 KJAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc(OC)c(Br)c1 ZINC000002921134 552220470 /nfs/dbraw/zinc/22/04/70/552220470.db2.gz LYPNIBWQFLCLIA-UHFFFAOYSA-N 0 0 506.780 4.824 50 0 KJAARN CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccccc1Br ZINC000002921148 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0 KJAARN Cc1c(C(=O)Nc2ccc(Br)cc2C)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12 ZINC000002926651 552224453 /nfs/dbraw/zinc/22/44/53/552224453.db2.gz ACPJVSJDXWAEAI-KBPBESRZSA-N 0 0 531.476 4.594 50 0 KJAARN Cc1c(C(=O)Nc2ccc(Br)cc2C)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12 ZINC000002926652 552224428 /nfs/dbraw/zinc/22/44/28/552224428.db2.gz ACPJVSJDXWAEAI-ZIAGYGMSSA-N 0 0 531.476 4.594 50 0 KJAARN COc1ccc(NC(=O)c2sc3ncnc(N4CCN(c5ccccc5OC)CC4)c3c2C)c(OC)c1 ZINC000002931095 552225954 /nfs/dbraw/zinc/22/59/54/552225954.db2.gz CYIKXAIHJJSZMH-UHFFFAOYSA-N 0 0 519.627 4.604 50 0 KJAARN COc1ccc(NC(=O)c2sc3ncnc(N4CCN(c5ccccc5OC)CC4)c3c2C)cc1OC ZINC000002931097 552225917 /nfs/dbraw/zinc/22/59/17/552225917.db2.gz UDMZQWUNIYFLAK-UHFFFAOYSA-N 0 0 519.627 4.604 50 0 KJAARN CCOc1ccc(NC(=O)c2sc3ncnc(N4CCN(c5ccccc5OC)CC4)c3c2C)cc1 ZINC000002931153 552225967 /nfs/dbraw/zinc/22/59/67/552225967.db2.gz HJKJTOUWMSDATD-UHFFFAOYSA-N 0 0 503.628 4.986 50 0 KJAARN COc1ccc(OC)c(NC(=O)c2sc3ncnc(N4CCN(c5ccccc5OC)CC4)c3c2C)c1 ZINC000002931155 552225957 /nfs/dbraw/zinc/22/59/57/552225957.db2.gz JXRXAGRRSCUYIP-UHFFFAOYSA-N 0 0 519.627 4.604 50 0 KJAARN CCOc1ccccc1NC(=O)c1sc2ncnc(N3CCN(c4ccccc4OC)CC3)c2c1C ZINC000002931165 552225923 /nfs/dbraw/zinc/22/59/23/552225923.db2.gz QOCMKMMNRWXDJG-UHFFFAOYSA-N 0 0 503.628 4.986 50 0 KJAARN COc1ccc(C)cc1NC(=O)c1sc2ncnc(N3CCN(c4ccccc4OC)CC3)c2c1C ZINC000002931166 552225927 /nfs/dbraw/zinc/22/59/27/552225927.db2.gz QKMYIAIUTHKGBK-UHFFFAOYSA-N 0 0 503.628 4.904 50 0 KJAARN COc1ccc(NC(=O)c2sc3ncnc(N4CCN(c5ccccc5F)CC4)c3c2C)c(OC)c1 ZINC000002931199 552225943 /nfs/dbraw/zinc/22/59/43/552225943.db2.gz IRTCVTCLEDOIPC-UHFFFAOYSA-N 0 0 507.591 4.735 50 0 KJAARN COc1ccc(NC(=O)c2sc3ncnc(N4CCN(c5ccccc5F)CC4)c3c2C)cc1OC ZINC000002931202 552225914 /nfs/dbraw/zinc/22/59/14/552225914.db2.gz WYQAYWIUIFFDJZ-UHFFFAOYSA-N 0 0 507.591 4.735 50 0 KJAARN COc1cc(NC(=O)c2sc3ncnc(N4CCN(c5ccccc5F)CC4)c3c2C)cc(OC)c1OC ZINC000002931213 552226082 /nfs/dbraw/zinc/22/60/82/552226082.db2.gz ICIWIMDAMWBYDR-UHFFFAOYSA-N 0 0 537.617 4.744 50 0 KJAARN COC(=O)c1ccccc1NC(=O)c1sc2ncnc(N3CCN(c4ccccc4F)CC3)c2c1C ZINC000002931248 552226112 /nfs/dbraw/zinc/22/61/12/552226112.db2.gz NKRBRXSCTNUXRO-UHFFFAOYSA-N 0 0 505.575 4.504 50 0 KJAARN COc1ccc(OC)c(NC(=O)c2sc3ncnc(N4CCN(c5ccccc5F)CC4)c3c2C)c1 ZINC000002931292 552226135 /nfs/dbraw/zinc/22/61/35/552226135.db2.gz UNOWZJKNQWJIPL-UHFFFAOYSA-N 0 0 507.591 4.735 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)c1sc2ncnc(N3CCN(c4ccccc4F)CC3)c2c1C ZINC000002931313 552226140 /nfs/dbraw/zinc/22/61/40/552226140.db2.gz QNHGISDZKDSITP-UHFFFAOYSA-N 0 0 519.602 4.894 50 0 KJAARN COc1cc(NC(=O)c2sc3ncnc(N4CCN(c5ccccc5)CC4)c3c2C)cc(OC)c1OC ZINC000002931362 552226102 /nfs/dbraw/zinc/22/61/02/552226102.db2.gz PWYUYJWVAMOXKS-UHFFFAOYSA-N 0 0 519.627 4.604 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)c1sc2ncnc(N3CCN(c4ccccc4)CC3)c2c1C ZINC000002931435 552226078 /nfs/dbraw/zinc/22/60/78/552226078.db2.gz KOYFIFKYJXZENA-UHFFFAOYSA-N 0 0 501.612 4.755 50 0 KJAARN O=C(COc1ccccc1Br)Nn1c(=O)c2sccc2nc1SCc1ccc(F)cc1 ZINC000002932295 552226094 /nfs/dbraw/zinc/22/60/94/552226094.db2.gz INSPIBUDRLTMIT-UHFFFAOYSA-N 0 0 520.405 4.801 50 0 KJAARN Cc1cccc(CSc2nc3ccsc3c(=O)n2NC(=O)COc2ccccc2Br)c1 ZINC000002932300 552226421 /nfs/dbraw/zinc/22/64/21/552226421.db2.gz HVOYCLBIAYHMGM-UHFFFAOYSA-N 0 0 516.442 4.970 50 0 KJAARN O=C(COc1ccccc1Br)Nn1c(=O)c2sccc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000002932358 552226395 /nfs/dbraw/zinc/22/63/95/552226395.db2.gz WVKOTXKURYKZMS-UHFFFAOYSA-N 0 0 564.870 4.998 50 0 KJAARN O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1cccc(Br)c1)c1ccccc1 ZINC000002932416 552226434 /nfs/dbraw/zinc/22/64/34/552226434.db2.gz LRZLVZKQYDIJBA-UHFFFAOYSA-N 0 0 500.399 4.579 50 0 KJAARN CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ccsc3c(=O)n2NC(=O)c2cccc(OC)c2)cc1 ZINC000002932530 552226587 /nfs/dbraw/zinc/22/65/87/552226587.db2.gz IKVXVRXNPZVRHM-OAQYLSRUSA-N 0 0 522.652 4.922 50 0 KJAARN CCc1ccc(NC(=O)[C@H](CC)Sc2nc3ccsc3c(=O)n2NC(=O)c2cccc(OC)c2)cc1 ZINC000002932531 552226677 /nfs/dbraw/zinc/22/66/77/552226677.db2.gz IKVXVRXNPZVRHM-NRFANRHFSA-N 0 0 522.652 4.922 50 0 KJAARN CC[C@H](Sc1nc2ccsc2c(=O)n1NC(=O)c1cccc(OC)c1)C(=O)Nc1cccc(C)c1 ZINC000002932541 552226609 /nfs/dbraw/zinc/22/66/09/552226609.db2.gz DRKKGWUMMPNPJW-FQEVSTJZSA-N 0 0 508.625 4.668 50 0 KJAARN CC[C@@H](Sc1nc2ccsc2c(=O)n1NC(=O)c1cccc(OC)c1)C(=O)Nc1cccc(C)c1 ZINC000002932543 552226576 /nfs/dbraw/zinc/22/65/76/552226576.db2.gz DRKKGWUMMPNPJW-HXUWFJFHSA-N 0 0 508.625 4.668 50 0 KJAARN COc1ccc(N2C(=O)c3ccc(OCCOc4ccc5c(c4)C(=O)N(c4ccc(OC)cc4)C5=O)cc3C2=O)cc1 ZINC000002934286 552226812 /nfs/dbraw/zinc/22/68/12/552226812.db2.gz QYHODMODSPDDMS-UHFFFAOYSA-N 0 0 564.550 4.763 50 0 KJAARN O=C(NCCN(CCNC(=O)c1ccc2ccccc2n1)C(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1 ZINC000002936853 552227207 /nfs/dbraw/zinc/22/72/07/552227207.db2.gz OAWPVTPEYHLUCV-UHFFFAOYSA-N 0 0 568.637 4.633 50 0 KJAARN O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002937360 552227452 /nfs/dbraw/zinc/22/74/52/552227452.db2.gz SBWRBWURFOJKDM-HSZRJFAPSA-N 0 0 505.368 4.698 50 0 biogenic KJAARN O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002937361 552227412 /nfs/dbraw/zinc/22/74/12/552227412.db2.gz SBWRBWURFOJKDM-QHCPKHFHSA-N 0 0 505.368 4.698 50 0 biogenic KJAARN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)ccc21 ZINC000002939154 552227664 /nfs/dbraw/zinc/22/76/64/552227664.db2.gz AHDRREOIYXCKLT-UHFFFAOYSA-N 0 0 555.498 4.522 50 0 KJAARN O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002939712 552227659 /nfs/dbraw/zinc/22/76/59/552227659.db2.gz NAEUBAVXAZFUGZ-UHFFFAOYSA-N 0 0 530.783 4.611 50 0 KJAARN O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002939719 552227691 /nfs/dbraw/zinc/22/76/91/552227691.db2.gz ALFDGVXZAUNWJT-UHFFFAOYSA-N 0 0 530.783 4.611 50 0 KJAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC000002939830 552227720 /nfs/dbraw/zinc/22/77/20/552227720.db2.gz ZTHSTJYOICQBJM-UHFFFAOYSA-N 0 0 571.124 4.879 50 0 KJAARN COc1ccc(-n2nc(C(=O)Nc3c(F)cc(F)cc3Br)c3ccccc3c2=O)c(OC)c1 ZINC000002942954 552227954 /nfs/dbraw/zinc/22/79/54/552227954.db2.gz HFADXVRSEKFNBX-UHFFFAOYSA-N 0 0 516.298 4.696 50 0 KJAARN COc1cc(OC)cc(-n2nc(C(=O)Nc3c(F)cc(F)cc3Br)c3ccccc3c2=O)c1 ZINC000002943062 552227942 /nfs/dbraw/zinc/22/79/42/552227942.db2.gz LSWFECYOPAGECV-UHFFFAOYSA-N 0 0 516.298 4.696 50 0 KJAARN CCOc1cc(C(=S)N2CCOCC2)cc(Br)c1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000002945322 552228189 /nfs/dbraw/zinc/22/81/89/552228189.db2.gz LUWMOYOWQYUECF-UHFFFAOYSA-N 0 0 536.469 4.776 50 0 KJAARN CCCCOc1ccc(C2=NC(=CNc3ccc(I)cc3C(=O)OC)C(=O)O2)cc1 ZINC000002947148 552228268 /nfs/dbraw/zinc/22/82/68/552228268.db2.gz OGJQFAHTNRKQNJ-CPNJWEJPSA-N 0 0 520.323 4.514 50 0 KJAARN COc1ccc(Cl)cc1N(CC(=O)NCCSc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000002948132 552228471 /nfs/dbraw/zinc/22/84/71/552228471.db2.gz KTAVHUNPABOCSO-UHFFFAOYSA-N 0 0 505.061 4.761 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nc3ccccc3c(Nc3ccc4c(c3)OCO4)n2)cc1OC ZINC000002948917 552228514 /nfs/dbraw/zinc/22/85/14/552228514.db2.gz PJMCIOQCALLQSR-UHFFFAOYSA-N 0 0 518.595 4.570 50 0 KJAARN CCOc1ccccc1NC(=O)[C@H](CC)n1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000002949240 552228700 /nfs/dbraw/zinc/22/87/00/552228700.db2.gz VIYGHVKVLLDXNO-FQEVSTJZSA-N 0 0 569.083 4.866 50 0 KJAARN CCOc1ccccc1NC(=O)[C@@H](CC)n1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000002949242 552228788 /nfs/dbraw/zinc/22/87/88/552228788.db2.gz VIYGHVKVLLDXNO-HXUWFJFHSA-N 0 0 569.083 4.866 50 0 KJAARN COc1cc(-c2nc3ccc(C(=O)NC4CC4)cc3nc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000002951045 552229315 /nfs/dbraw/zinc/22/93/15/552229315.db2.gz REWOCRMCOILRID-UHFFFAOYSA-N 0 0 545.592 4.908 50 0 KJAARN COCCCNC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000002951078 552229291 /nfs/dbraw/zinc/22/92/91/552229291.db2.gz BARCUAIVSDJXJR-UHFFFAOYSA-N 0 0 517.582 4.765 50 0 KJAARN COc1ccc(-c2nc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc3nc2-c2ccc(OC)c(OC)c2)cc1OC ZINC000002951082 552229314 /nfs/dbraw/zinc/22/93/14/552229314.db2.gz VSIGRRLCPUBFAI-UHFFFAOYSA-N 0 0 571.630 4.977 50 0 KJAARN COc1ccc(-c2nnc(SCc3cc(=O)n4c(C)cccc4n3)nc2-c2ccc(OC)c(OC)c2)cc1OC ZINC000002951154 552229322 /nfs/dbraw/zinc/22/93/22/552229322.db2.gz DTOWPEJLFQNMOW-UHFFFAOYSA-N 0 0 557.632 4.849 50 0 KJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)c(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000002951159 552229321 /nfs/dbraw/zinc/22/93/21/552229321.db2.gz VFKXLWOUSZTFPF-UHFFFAOYSA-N 0 0 548.621 4.979 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1OC ZINC000002951167 552229377 /nfs/dbraw/zinc/22/93/77/552229377.db2.gz BCOBFKGAMHYZRM-UHFFFAOYSA-N 0 0 532.622 4.649 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccc(C)cc3)nc2-c2ccc(OC)c(OC)c2)cc1OC ZINC000002951180 552229418 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O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002968643 552241676 /nfs/dbraw/zinc/24/16/76/552241676.db2.gz WMMDACFHQLROGF-OAQYLSRUSA-N 0 0 533.009 4.667 50 0 KJAARN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968645 552241709 /nfs/dbraw/zinc/24/17/09/552241709.db2.gz KVDJMZBDGVIXIL-RPLLCQBOSA-N 0 0 597.697 4.793 50 0 KJAARN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968647 552241715 /nfs/dbraw/zinc/24/17/15/552241715.db2.gz KVDJMZBDGVIXIL-IGKIAQTJSA-N 0 0 597.697 4.793 50 0 KJAARN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968650 552241656 /nfs/dbraw/zinc/24/16/56/552241656.db2.gz KVDJMZBDGVIXIL-SHQCIBLASA-N 0 0 597.697 4.793 50 0 KJAARN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968652 552241722 /nfs/dbraw/zinc/24/17/22/552241722.db2.gz KVDJMZBDGVIXIL-SQHAQQRYSA-N 0 0 597.697 4.793 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968654 552241753 /nfs/dbraw/zinc/24/17/53/552241753.db2.gz KGHXMINWWNGWFW-OZXSUGGESA-N 0 0 583.670 4.539 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968656 552241681 /nfs/dbraw/zinc/24/16/81/552241681.db2.gz KGHXMINWWNGWFW-JYFHCDHNSA-N 0 0 583.670 4.539 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968659 552241688 /nfs/dbraw/zinc/24/16/88/552241688.db2.gz KGHXMINWWNGWFW-BVAGGSTKSA-N 0 0 583.670 4.539 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968661 552241693 /nfs/dbraw/zinc/24/16/93/552241693.db2.gz KGHXMINWWNGWFW-ZEQKJWHPSA-N 0 0 583.670 4.539 50 0 KJAARN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCCc4ccccc4)C(=O)N32)cc1 ZINC000002968737 552242142 /nfs/dbraw/zinc/24/21/42/552242142.db2.gz QANMJYVRABREAQ-SANMLTNESA-N 0 0 553.688 4.889 50 0 KJAARN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCCc4ccccc4)C(=O)N32)cc1 ZINC000002968739 552242129 /nfs/dbraw/zinc/24/21/29/552242129.db2.gz QANMJYVRABREAQ-AREMUKBSSA-N 0 0 553.688 4.889 50 0 KJAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCCc1ccccc1 ZINC000002968748 552242025 /nfs/dbraw/zinc/24/20/25/552242025.db2.gz VFGRWEMKKVATEO-QHCPKHFHSA-N 0 0 503.027 4.981 50 0 KJAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCCc1ccccc1 ZINC000002968749 552242036 /nfs/dbraw/zinc/24/20/36/552242036.db2.gz VFGRWEMKKVATEO-HSZRJFAPSA-N 0 0 503.027 4.981 50 0 KJAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCCc1ccccc1 ZINC000002968752 552242081 /nfs/dbraw/zinc/24/20/81/552242081.db2.gz VALGFLRZRLBIMD-QHCPKHFHSA-N 0 0 503.027 4.981 50 0 KJAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCCc1ccccc1 ZINC000002968753 552242116 /nfs/dbraw/zinc/24/21/16/552242116.db2.gz VALGFLRZRLBIMD-HSZRJFAPSA-N 0 0 503.027 4.981 50 0 KJAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCCc1ccccc1 ZINC000002968756 552242074 /nfs/dbraw/zinc/24/20/74/552242074.db2.gz RSPQCACXHLGZOI-QHCPKHFHSA-N 0 0 503.027 4.981 50 0 KJAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCCc1ccccc1 ZINC000002968758 552242044 /nfs/dbraw/zinc/24/20/44/552242044.db2.gz RSPQCACXHLGZOI-HSZRJFAPSA-N 0 0 503.027 4.981 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968768 552242219 /nfs/dbraw/zinc/24/22/19/552242219.db2.gz HNKMKIFKBBDOEG-UIOOFZCWSA-N 0 0 553.688 4.853 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968769 552242197 /nfs/dbraw/zinc/24/21/97/552242197.db2.gz HNKMKIFKBBDOEG-IZZNHLLZSA-N 0 0 553.688 4.853 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968771 552242230 /nfs/dbraw/zinc/24/22/30/552242230.db2.gz HNKMKIFKBBDOEG-FTJBHMTQSA-N 0 0 553.688 4.853 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968773 552242204 /nfs/dbraw/zinc/24/22/04/552242204.db2.gz HNKMKIFKBBDOEG-CLJLJLNGSA-N 0 0 553.688 4.853 50 0 KJAARN O=c1cc(CSc2nc3ccccc3c3nc(CCc4c[nH]c5ccccc45)nn32)nc2ccccn12 ZINC000002968843 552242195 /nfs/dbraw/zinc/24/21/95/552242195.db2.gz WGALMYPCFJIWOR-UHFFFAOYSA-N 0 0 503.591 4.844 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002969229 552242550 /nfs/dbraw/zinc/24/25/50/552242550.db2.gz LGTYJUDCZPPXDQ-QHCPKHFHSA-N 0 0 529.626 4.572 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002969231 552242555 /nfs/dbraw/zinc/24/25/55/552242555.db2.gz LGTYJUDCZPPXDQ-HSZRJFAPSA-N 0 0 529.626 4.572 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccccc1OC ZINC000002969248 552242497 /nfs/dbraw/zinc/24/24/97/552242497.db2.gz MMKFJJGGCCKLKZ-QHCPKHFHSA-N 0 0 515.643 4.852 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccccc1OC ZINC000002969250 552242493 /nfs/dbraw/zinc/24/24/93/552242493.db2.gz MMKFJJGGCCKLKZ-HSZRJFAPSA-N 0 0 515.643 4.852 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1cccc(OC)c1 ZINC000002969252 552242522 /nfs/dbraw/zinc/24/25/22/552242522.db2.gz KIPHSXSEFHDUDV-QHCPKHFHSA-N 0 0 515.643 4.852 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1cccc(OC)c1 ZINC000002969254 552242559 /nfs/dbraw/zinc/24/25/59/552242559.db2.gz KIPHSXSEFHDUDV-HSZRJFAPSA-N 0 0 515.643 4.852 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)NCc1ccc(C)cc1 ZINC000002969256 552242511 /nfs/dbraw/zinc/24/25/11/552242511.db2.gz DRZBWEXIWCFLRJ-DEOSSOPVSA-N 0 0 513.671 4.829 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)NCc1ccc(C)cc1 ZINC000002969259 552242548 /nfs/dbraw/zinc/24/25/48/552242548.db2.gz DRZBWEXIWCFLRJ-XMMPIXPASA-N 0 0 513.671 4.829 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn21)C(=O)NCc1ccco1 ZINC000002969311 552242739 /nfs/dbraw/zinc/24/27/39/552242739.db2.gz QOHDVTYOLPKIKL-DEOSSOPVSA-N 0 0 525.638 4.958 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn21)C(=O)NCc1ccco1 ZINC000002969313 552242708 /nfs/dbraw/zinc/24/27/08/552242708.db2.gz QOHDVTYOLPKIKL-XMMPIXPASA-N 0 0 525.638 4.958 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21 ZINC000002969442 552242695 /nfs/dbraw/zinc/24/26/95/552242695.db2.gz ZNTZCAHCIJUILR-UHFFFAOYSA-N 0 0 522.034 4.726 50 0 KJAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCC(=O)Nc4ccc(Cl)cc4F)n3n2)n1 ZINC000002969452 552242691 /nfs/dbraw/zinc/24/26/91/552242691.db2.gz SDGYUQWHPCKSLI-UHFFFAOYSA-N 0 0 509.998 4.857 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccc(F)cc1 ZINC000002969453 552242728 /nfs/dbraw/zinc/24/27/28/552242728.db2.gz VXMLYJXGAJVNNO-QFIPXVFZSA-N 0 0 503.607 4.982 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccc(F)cc1 ZINC000002969455 552242679 /nfs/dbraw/zinc/24/26/79/552242679.db2.gz VXMLYJXGAJVNNO-JOCHJYFZSA-N 0 0 503.607 4.982 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccccc1F ZINC000002969460 552242644 /nfs/dbraw/zinc/24/26/44/552242644.db2.gz VCZPVQMJQYZXEC-QFIPXVFZSA-N 0 0 503.607 4.982 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccccc1F ZINC000002969462 552242720 /nfs/dbraw/zinc/24/27/20/552242720.db2.gz VCZPVQMJQYZXEC-JOCHJYFZSA-N 0 0 503.607 4.982 50 0 KJAARN Cc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccccc3C(F)(F)F)n2n1 ZINC000002969505 552242732 /nfs/dbraw/zinc/24/27/32/552242732.db2.gz QSDUVYIIIGGBPL-UHFFFAOYSA-N 0 0 511.533 4.775 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1cc(OC)ccc1OC ZINC000002969594 552242686 /nfs/dbraw/zinc/24/26/86/552242686.db2.gz IYQWGRPNYSVKQI-DEOSSOPVSA-N 0 0 545.669 4.860 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1cc(OC)ccc1OC ZINC000002969595 552242756 /nfs/dbraw/zinc/24/27/56/552242756.db2.gz IYQWGRPNYSVKQI-XMMPIXPASA-N 0 0 545.669 4.860 50 0 KJAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCC(=O)Nc4ccc(Br)cc4)n3n2)n1 ZINC000002969597 552242649 /nfs/dbraw/zinc/24/26/49/552242649.db2.gz MTMDNIAWLAIBCP-UHFFFAOYSA-N 0 0 536.459 4.827 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccc(OC)cc1 ZINC000002969599 552243071 /nfs/dbraw/zinc/24/30/71/552243071.db2.gz ISDPRBMFRAAPMO-QHCPKHFHSA-N 0 0 515.643 4.852 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1ccc(OC)cc1 ZINC000002969600 552243015 /nfs/dbraw/zinc/24/30/15/552243015.db2.gz ISDPRBMFRAAPMO-HSZRJFAPSA-N 0 0 515.643 4.852 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn21)C(=O)Nc1cccc(OC)c1 ZINC000002969652 552243093 /nfs/dbraw/zinc/24/30/93/552243093.db2.gz NRFQAEPSZSHXEM-QHCPKHFHSA-N 0 0 515.643 4.921 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn21)C(=O)Nc1cccc(OC)c1 ZINC000002969653 552243081 /nfs/dbraw/zinc/24/30/81/552243081.db2.gz NRFQAEPSZSHXEM-HSZRJFAPSA-N 0 0 515.643 4.921 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn21)C(=O)NCc1ccc(C)cc1 ZINC000002969655 552243026 /nfs/dbraw/zinc/24/30/26/552243026.db2.gz XBNJNFWIOKFRRP-DEOSSOPVSA-N 0 0 513.671 4.898 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn21)C(=O)NCc1ccc(C)cc1 ZINC000002969657 552243091 /nfs/dbraw/zinc/24/30/91/552243091.db2.gz XBNJNFWIOKFRRP-XMMPIXPASA-N 0 0 513.671 4.898 50 0 KJAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn21 ZINC000002969663 552243042 /nfs/dbraw/zinc/24/30/42/552243042.db2.gz QHXZOSLTSTXFCY-UHFFFAOYSA-N 0 0 501.616 4.532 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn21 ZINC000002969665 552243077 /nfs/dbraw/zinc/24/30/77/552243077.db2.gz NMZYGAIFEHMZEP-UHFFFAOYSA-N 0 0 522.034 4.795 50 0 KJAARN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(Cl)cc3F)n2n1 ZINC000002969675 552243080 /nfs/dbraw/zinc/24/30/80/552243080.db2.gz DBOQBNRJYLMIGS-UHFFFAOYSA-N 0 0 509.998 4.926 50 0 KJAARN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(Br)cc3)n2n1 ZINC000002969680 552243094 /nfs/dbraw/zinc/24/30/94/552243094.db2.gz FVUWTIABARQQOT-UHFFFAOYSA-N 0 0 536.459 4.896 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn21)C(=O)Nc1ccc(OC)cc1 ZINC000002969683 552243021 /nfs/dbraw/zinc/24/30/21/552243021.db2.gz XWXVVHRFRRLKLW-QHCPKHFHSA-N 0 0 515.643 4.921 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn21)C(=O)Nc1ccc(OC)cc1 ZINC000002969685 552243062 /nfs/dbraw/zinc/24/30/62/552243062.db2.gz XWXVVHRFRRLKLW-HSZRJFAPSA-N 0 0 515.643 4.921 50 0 KJAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)c1cc3ccccc3oc1=O)n(Cc1ccc(Cl)cc1)c2=O ZINC000002969780 552243078 /nfs/dbraw/zinc/24/30/78/552243078.db2.gz IGFYDQTZUXTHLL-UHFFFAOYSA-N 0 0 546.988 4.966 50 0 KJAARN 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4.523 50 0 KJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5cccc(OC)c5)CC4)cc3N2)cc1 ZINC000003011606 552258635 /nfs/dbraw/zinc/25/86/35/552258635.db2.gz ZWVRUSYDEOICNV-FYYLOGMGSA-N 0 0 515.536 4.523 50 0 KJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5cccc(OC)c5)CC4)cc3N2)cc1 ZINC000003011608 552258647 /nfs/dbraw/zinc/25/86/47/552258647.db2.gz ZWVRUSYDEOICNV-JTHBVZDNSA-N 0 0 515.536 4.523 50 0 KJAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003012202 552259125 /nfs/dbraw/zinc/25/91/25/552259125.db2.gz VNSDSERKOHIZEB-PGRDOPGGSA-N 0 0 533.938 4.888 50 0 KJAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003012205 552259106 /nfs/dbraw/zinc/25/91/06/552259106.db2.gz VNSDSERKOHIZEB-XMSQKQJNSA-N 0 0 533.938 4.888 50 0 KJAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003012206 552259107 /nfs/dbraw/zinc/25/91/07/552259107.db2.gz VNSDSERKOHIZEB-AVRDEDQJSA-N 0 0 533.938 4.888 50 0 KJAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003012208 552259108 /nfs/dbraw/zinc/25/91/08/552259108.db2.gz VNSDSERKOHIZEB-GCJKJVERSA-N 0 0 533.938 4.888 50 0 KJAARN COc1cccc(N2CCN(C(=O)c3cnn4c3N[C@@H](c3ccc(OC)c(OC)c3)C[C@H]4C(F)(F)F)CC2)c1 ZINC000003012441 552259601 /nfs/dbraw/zinc/25/96/01/552259601.db2.gz CPLPBMWFUCZRRS-QPPBQGQZSA-N 0 0 545.562 4.532 50 0 KJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccccc5)CC4)c3N2)cc1OC ZINC000003012463 552259622 /nfs/dbraw/zinc/25/96/22/552259622.db2.gz XALFSYQIWXEHNY-OFNKIYASSA-N 0 0 515.536 4.523 50 0 KJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccccc5)CC4)c3N2)cc1OC ZINC000003012466 552259573 /nfs/dbraw/zinc/25/95/73/552259573.db2.gz XALFSYQIWXEHNY-REWPJTCUSA-N 0 0 515.536 4.523 50 0 KJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccccc5)CC4)c3N2)cc1OC ZINC000003012468 552259552 /nfs/dbraw/zinc/25/95/52/552259552.db2.gz XALFSYQIWXEHNY-NFBKMPQASA-N 0 0 515.536 4.523 50 0 KJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccccc5)CC4)c3N2)cc1OC ZINC000003012469 552259570 /nfs/dbraw/zinc/25/95/70/552259570.db2.gz XALFSYQIWXEHNY-NZQKXSOJSA-N 0 0 515.536 4.523 50 0 KJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(c5ccccc5OC)CC4)c3N2)cc1OC ZINC000003012478 552259555 /nfs/dbraw/zinc/25/95/55/552259555.db2.gz RDPPSGDGRXSQCH-DVECYGJZSA-N 0 0 545.562 4.532 50 0 KJAARN COc1ccc(OC)c(NC(=O)c2cnn3c2N[C@@H](c2ccc(OC)c(OC)c2)C[C@H]3C(F)(F)F)c1 ZINC000003012542 552259629 /nfs/dbraw/zinc/25/96/29/552259629.db2.gz VYVPTQQBYBPDFM-IERDGZPVSA-N 0 0 506.481 4.830 50 0 KJAARN O=C(CSc1nc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2s1)Nc1ccc(F)cc1 ZINC000003013021 552259875 /nfs/dbraw/zinc/25/98/75/552259875.db2.gz TUYYELNQJGSBRP-UHFFFAOYSA-N 0 0 551.654 4.873 50 0 KJAARN COc1ccc(Cl)cc1C(=O)N/C(=C/c1c(F)cccc1Cl)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000003013044 552259891 /nfs/dbraw/zinc/25/98/91/552259891.db2.gz KLEFXQHBPNITBJ-UVWPKEFOSA-N 0 0 556.421 4.720 50 0 biogenic KJAARN O=C(N/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 ZINC000003013059 552260130 /nfs/dbraw/zinc/26/01/30/552260130.db2.gz GECIVCIUDVVKEZ-KHJLXDSTSA-N 0 0 563.629 4.983 50 0 biogenic KJAARN CCCCOc1ccc(C(=O)N/C(=C/c2cccc(F)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000003013104 552260205 /nfs/dbraw/zinc/26/02/05/552260205.db2.gz KHCNIGOSXCQJOV-RXVRPDCMSA-N 0 0 529.612 4.583 50 0 biogenic KJAARN O=C(NCCSCc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cccnc2)c1 ZINC000003013322 552260194 /nfs/dbraw/zinc/26/01/94/552260194.db2.gz HPHZPNGQSCCFPS-SQHAQQRYSA-N 0 0 579.726 4.783 50 0 KJAARN O=C(NCCSCc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccncc2)c1 ZINC000003013327 552260203 /nfs/dbraw/zinc/26/02/03/552260203.db2.gz NOIPOLMUFSZVII-SQHAQQRYSA-N 0 0 579.726 4.783 50 0 KJAARN Cc1cccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccs3)c2)n1 ZINC000003013339 552260210 /nfs/dbraw/zinc/26/02/10/552260210.db2.gz NVDPEBSJUATKRO-CTNGQTDRSA-N 0 0 525.634 4.742 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3OC)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000003013354 552260169 /nfs/dbraw/zinc/26/01/69/552260169.db2.gz YXAJTRLWTLXUFH-QPPBQGQZSA-N 0 0 564.642 4.994 50 0 KJAARN COc1ccc(CNC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000003013377 552260348 /nfs/dbraw/zinc/26/03/48/552260348.db2.gz URTBOEFADXMMNE-RDGATRHJSA-N 0 0 566.633 4.802 50 0 KJAARN COC(=O)c1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(OC)cc2)c1 ZINC000003013386 552260309 /nfs/dbraw/zinc/26/03/09/552260309.db2.gz POGCWYJMYQAJIP-QPPBQGQZSA-N 0 0 592.652 4.772 50 0 KJAARN CCOc1ccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccnc3)c2)cc1 ZINC000003013393 552260314 /nfs/dbraw/zinc/26/03/14/552260314.db2.gz IGHCOXFZCIJUDL-QPPBQGQZSA-N 0 0 549.631 4.770 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)N3CCc4ccccc4C3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000003013405 552260346 /nfs/dbraw/zinc/26/03/46/552260346.db2.gz IAZVGWYCBXJHQR-LXFBAYGMSA-N 0 0 574.681 4.931 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(F)cc2)c1 ZINC000003013469 552260325 /nfs/dbraw/zinc/26/03/25/552260325.db2.gz KHEKGQVTXDZMKE-BWKNWUBXSA-N 0 0 566.633 4.802 50 0 KJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(F)cc3)c2)C1 ZINC000003013476 552260344 /nfs/dbraw/zinc/26/03/44/552260344.db2.gz JKGVXBCMRXMCMZ-FFHOAYQKSA-N 0 0 542.655 4.982 50 0 KJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccs3)c2)C1 ZINC000003013477 552260335 /nfs/dbraw/zinc/26/03/35/552260335.db2.gz HRVISMIZJSQRQF-SRUXOGRHSA-N 0 0 530.694 4.904 50 0 KJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(F)cc2)c1 ZINC000003013487 552260318 /nfs/dbraw/zinc/26/03/18/552260318.db2.gz SOJJHCFALAGPTG-OFNKIYASSA-N 0 0 580.616 4.887 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000003013492 552260315 /nfs/dbraw/zinc/26/03/15/552260315.db2.gz CNTWXPSBGSZTKR-QPPBQGQZSA-N 0 0 592.652 4.756 50 0 KJAARN O=C(Nc1cc(C(=O)NCc2ccco2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Br)o1 ZINC000003013547 552260668 /nfs/dbraw/zinc/26/06/68/552260668.db2.gz GAGWKGBRWMJECY-MJGOQNOKSA-N 0 0 577.435 4.603 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(F)cc2)c1 ZINC000003013559 552260540 /nfs/dbraw/zinc/26/05/40/552260540.db2.gz UMADOTZENXTELM-QPPBQGQZSA-N 0 0 554.597 4.933 50 0 KJAARN CC(C)CNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000003013574 552260641 /nfs/dbraw/zinc/26/06/41/552260641.db2.gz XIDQIGJBLYIZBY-CTNGQTDRSA-N 0 0 551.062 4.832 50 0 KJAARN COc1cc(OC)c(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(Cl)cc2Cl)cc1Cl ZINC000003014140 552260632 /nfs/dbraw/zinc/26/06/32/552260632.db2.gz JHDILEHWGFWWEO-UHFFFAOYSA-N 0 0 540.816 4.817 50 0 KJAARN COc1cc(OC)c(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1Cl ZINC000003014285 552260606 /nfs/dbraw/zinc/26/06/06/552260606.db2.gz UDYABDCTOLEBPB-UHFFFAOYSA-N 0 0 539.923 4.529 50 0 KJAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000003014309 552260872 /nfs/dbraw/zinc/26/08/72/552260872.db2.gz SPWGZQCKPVRYCY-UHFFFAOYSA-N 0 0 509.307 4.865 50 0 KJAARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1)NC1CCCCC1 ZINC000003014609 552260864 /nfs/dbraw/zinc/26/08/64/552260864.db2.gz PZQUGAJXEYQYEP-UHFFFAOYSA-N 0 0 508.463 4.577 50 0 KJAARN COc1ccc(CNc2ccc(C(=O)N3CCCCC3)cc2S(=O)(=O)Nc2cccc(OC)c2)cc1 ZINC000003015069 552260860 /nfs/dbraw/zinc/26/08/60/552260860.db2.gz VTQVRWKGDJFEDC-UHFFFAOYSA-N 0 0 509.628 4.743 50 0 biogenic KJAARN COc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2NCc2ccccc2OC)c1 ZINC000003015072 552260831 /nfs/dbraw/zinc/26/08/31/552260831.db2.gz NECFKXVRLGMZJF-UHFFFAOYSA-N 0 0 509.628 4.743 50 0 biogenic KJAARN O=C(Nc1ccc(Br)cc1Br)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000003017215 552261098 /nfs/dbraw/zinc/26/10/98/552261098.db2.gz REBOKKZNVXXZCT-JTQLQIEISA-N 0 0 517.015 4.966 50 0 KJAARN O=C(Nc1ccc(Br)cc1Br)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000003017218 552261163 /nfs/dbraw/zinc/26/11/63/552261163.db2.gz REBOKKZNVXXZCT-SNVBAGLBSA-N 0 0 517.015 4.966 50 0 KJAARN COc1cc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000003018209 552261352 /nfs/dbraw/zinc/26/13/52/552261352.db2.gz WFFWKDXINAPUCR-UHFFFAOYSA-N 0 0 513.472 4.747 50 0 KJAARN COc1cccc(-c2nc3sc4c(c3c(=O)n2CC(=O)Nc2ccc(OC)c(OC)c2)CCCC4)c1 ZINC000003018240 552261382 /nfs/dbraw/zinc/26/13/82/552261382.db2.gz WDSOPOMRLFCZHZ-UHFFFAOYSA-N 0 0 505.596 4.668 50 0 KJAARN COc1cccc(-c2nc3sc4c(c3c(=O)n2CC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCC4)c1 ZINC000003018241 552261379 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CCOC(=O)CC(=O)CSc1nc2c(sc(=S)n2-c2cccc(OC)c2)c(=O)n1-c1ccc(OCC)cc1 ZINC000003026420 552265898 /nfs/dbraw/zinc/26/58/98/552265898.db2.gz UWESRLAWEDJZQM-UHFFFAOYSA-N 0 0 571.702 4.989 50 0 KJAARN CCOC(=O)CC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)n1-c1ccccc1 ZINC000003026568 552266252 /nfs/dbraw/zinc/26/62/52/552266252.db2.gz IWELUEGIXWUCFB-UHFFFAOYSA-N 0 0 511.650 4.890 50 0 KJAARN CCOC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)n1-c1cc(OC)ccc1OC ZINC000003026590 552266278 /nfs/dbraw/zinc/26/62/78/552266278.db2.gz UEXCOISBSPAXMP-UHFFFAOYSA-N 0 0 529.665 4.948 50 0 KJAARN CCOC(=O)CC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)n1-c1ccccc1OC ZINC000003026601 552266340 /nfs/dbraw/zinc/26/63/40/552266340.db2.gz RZBHKTDPVCLATG-UHFFFAOYSA-N 0 0 541.676 4.899 50 0 KJAARN COc1ccccc1-n1c(=O)c2sc(=S)n(-c3ccccc3C)c2nc1SCC(=O)N1CCCC1 ZINC000003026617 552266317 /nfs/dbraw/zinc/26/63/17/552266317.db2.gz PEALQIGHERWXIV-UHFFFAOYSA-N 0 0 524.693 4.999 50 0 KJAARN CCOc1ccc(-n2c3nc(SCC4OCCO4)n(-c4ccc(F)cc4)c(=O)c3sc2=S)cc1 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Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2F)c1 ZINC000003031176 552267950 /nfs/dbraw/zinc/26/79/50/552267950.db2.gz XZXGWSBGKUNXEY-UHFFFAOYSA-N 0 0 502.011 4.859 50 0 KJAARN CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1F ZINC000003031200 552267890 /nfs/dbraw/zinc/26/78/90/552267890.db2.gz SKSDWZIILMIKIM-UHFFFAOYSA-N 0 0 513.610 4.853 50 0 KJAARN Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1F ZINC000003031256 552267904 /nfs/dbraw/zinc/26/79/04/552267904.db2.gz FWRDFTVTHRVLKQ-UHFFFAOYSA-N 0 0 502.011 4.859 50 0 KJAARN COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1F ZINC000003031427 552268078 /nfs/dbraw/zinc/26/80/78/552268078.db2.gz FMDWZWGJCAPLAR-UHFFFAOYSA-N 0 0 518.010 4.559 50 0 KJAARN COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1F ZINC000003031431 552268157 /nfs/dbraw/zinc/26/81/57/552268157.db2.gz MDTHCOSLNACKLV-UHFFFAOYSA-N 0 0 511.619 4.523 50 0 KJAARN CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)ccc1F ZINC000003031548 552268193 /nfs/dbraw/zinc/26/81/93/552268193.db2.gz QQCMYIPKNDVRGK-UHFFFAOYSA-N 0 0 511.619 4.604 50 0 KJAARN CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1F ZINC000003031585 552268075 /nfs/dbraw/zinc/26/80/75/552268075.db2.gz BHNIFLNKLGYCEP-UHFFFAOYSA-N 0 0 511.619 4.604 50 0 KJAARN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2F)cc1 ZINC000003031740 552268190 /nfs/dbraw/zinc/26/81/90/552268190.db2.gz NVJGGOJQRBLRNP-UHFFFAOYSA-N 0 0 518.010 4.641 50 0 KJAARN CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1F ZINC000003031750 552268160 /nfs/dbraw/zinc/26/81/60/552268160.db2.gz VCXRSLVZCXPNEM-UHFFFAOYSA-N 0 0 518.010 4.641 50 0 KJAARN COc1ccc(CCNS(=O)(=O)c2ccc(F)c(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1OC ZINC000003031763 552268115 /nfs/dbraw/zinc/26/81/15/552268115.db2.gz HPPPFKNTPZMTJN-UHFFFAOYSA-N 0 0 500.592 4.541 50 0 KJAARN Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2F)c1 ZINC000003031799 552268126 /nfs/dbraw/zinc/26/81/26/552268126.db2.gz JYJKBUYCKAIZJN-UHFFFAOYSA-N 0 0 502.011 4.859 50 0 KJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000003031894 552268112 /nfs/dbraw/zinc/26/81/12/552268112.db2.gz UJVORUMUKASGRS-UHFFFAOYSA-N 0 0 508.402 4.896 50 0 KJAARN O=C(C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1cccs1)NCc1ccc(Cl)cc1 ZINC000003032773 552268468 /nfs/dbraw/zinc/26/84/68/552268468.db2.gz NHRVQRPBPNIPGK-GOSISDBHSA-N 0 0 513.866 4.890 50 0 KJAARN O=C(C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1cccs1)NCc1ccc(Cl)cc1 ZINC000003032775 552268405 /nfs/dbraw/zinc/26/84/05/552268405.db2.gz NHRVQRPBPNIPGK-SFHVURJKSA-N 0 0 513.866 4.890 50 0 KJAARN CCc1ccccc1-n1c(N)c2c(C)nnc-2nc1SCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000003032822 552268408 /nfs/dbraw/zinc/26/84/08/552268408.db2.gz GVFCORIFIKRWGO-UHFFFAOYSA-N 0 0 513.023 4.500 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2cnn3c2nc(C)c(Cc2ccccc2Br)c3C)CC1 ZINC000003033797 552268428 /nfs/dbraw/zinc/26/84/28/552268428.db2.gz 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50 0 KJAARN Cc1ccc(-n2c(=O)c3sc(=S)n(-c4ccccc4C)c3nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000003034482 552269576 /nfs/dbraw/zinc/26/95/76/552269576.db2.gz QBAZJMHOBWIBLF-LJQANCHMSA-N 0 0 538.720 4.972 50 0 KJAARN Cc1ccc(-n2c(=O)c3sc(=S)n(-c4ccccc4C)c3nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000003034484 552269505 /nfs/dbraw/zinc/26/95/05/552269505.db2.gz QBAZJMHOBWIBLF-IBGZPJMESA-N 0 0 538.720 4.972 50 0 KJAARN CCOC(=O)CC(=O)CSc1nc2c(sc(=S)n2-c2cccc(OC)c2)c(=O)n1-c1ccc(C)cc1 ZINC000003034516 552269664 /nfs/dbraw/zinc/26/96/64/552269664.db2.gz QVKCEZIIAFDBIV-UHFFFAOYSA-N 0 0 541.676 4.899 50 0 KJAARN Cc1ccccc1-n1c2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003034866 552270842 /nfs/dbraw/zinc/27/08/42/552270842.db2.gz YBZJACFJZSIBIX-GOSISDBHSA-N 0 0 524.693 4.663 50 0 KJAARN Cc1ccccc1-n1c2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003034868 552270861 /nfs/dbraw/zinc/27/08/61/552270861.db2.gz YBZJACFJZSIBIX-SFHVURJKSA-N 0 0 524.693 4.663 50 0 KJAARN Cc1c(NC(=S)N[C@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000003034879 552270848 /nfs/dbraw/zinc/27/08/48/552270848.db2.gz UTOVFPOPGGPATK-IBGZPJMESA-N 0 0 547.295 4.551 50 0 KJAARN Cc1c(NC(=S)N[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000003034881 552270849 /nfs/dbraw/zinc/27/08/49/552270849.db2.gz UTOVFPOPGGPATK-LJQANCHMSA-N 0 0 547.295 4.551 50 0 KJAARN O=C(Cc1ccccc1)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003034907 552270973 /nfs/dbraw/zinc/27/09/73/552270973.db2.gz WNZRRXAGNVCOCO-OAHLLOKOSA-N 0 0 542.657 4.633 50 0 KJAARN O=C(Cc1ccccc1)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003034909 552270937 /nfs/dbraw/zinc/27/09/37/552270937.db2.gz WNZRRXAGNVCOCO-HNNXBMFYSA-N 0 0 542.657 4.633 50 0 KJAARN CCCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003034917 552270999 /nfs/dbraw/zinc/27/09/99/552270999.db2.gz URAYMSKZNIAAPW-CYBMUJFWSA-N 0 0 522.667 4.970 50 0 KJAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003034918 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COc1ccc(CCNC(=O)CSc2nc3nc(C)c(Cc4ccc(F)cc4Cl)c(C)n3n2)cc1OC ZINC000003038674 552272343 /nfs/dbraw/zinc/27/23/43/552272343.db2.gz QGGCXSRLZMRFJZ-UHFFFAOYSA-N 0 0 544.052 4.593 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nc3nc(C)c(Cc4c(F)cccc4Cl)c(C)n3n2)cc1OC ZINC000003039060 552272486 /nfs/dbraw/zinc/27/24/86/552272486.db2.gz VGCFTFDBCAGPKN-UHFFFAOYSA-N 0 0 544.052 4.593 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3nc(C)c(Cc4c(F)cccc4Cl)c(C)n3n2)c(OC)c1 ZINC000003039064 552272480 /nfs/dbraw/zinc/27/24/80/552272480.db2.gz AUJMCSLATKSZRT-UHFFFAOYSA-N 0 0 515.998 4.872 50 0 KJAARN COc1cccc(NC(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000003040962 552272935 /nfs/dbraw/zinc/27/29/35/552272935.db2.gz GCIWBKHPEZURJA-IRLDBZIGSA-N 0 0 541.652 4.797 50 0 KJAARN CC[C@H](C)NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)Nc2cccc(OC)c2)c1 ZINC000003040969 552272955 /nfs/dbraw/zinc/27/29/55/552272955.db2.gz LCHMZXWEDPNSBQ-VWPQPMDRSA-N 0 0 529.641 4.653 50 0 KJAARN CCCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)Nc2cccc(OC)c2)c1 ZINC000003040979 552272906 /nfs/dbraw/zinc/27/29/06/552272906.db2.gz RPAGHNKCLOXNDK-IRLDBZIGSA-N 0 0 529.641 4.655 50 0 KJAARN CCc1ccc(NC(=O)Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000003041094 552272962 /nfs/dbraw/zinc/27/29/62/552272962.db2.gz PPRMOGTWZZEJPY-RSXGOPAZSA-N 0 0 597.716 4.658 50 0 KJAARN CCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000003042160 552273411 /nfs/dbraw/zinc/27/34/11/552273411.db2.gz GOUJNOUVBYTMJN-QUCCMNQESA-N 0 0 520.033 4.909 50 0 KJAARN Cc1nc2nc(SCC(=O)NCc3c(F)cc(F)cc3F)nn2c(C)c1Cc1ccccc1Cl ZINC000003042184 552273435 /nfs/dbraw/zinc/27/34/35/552273435.db2.gz YJTQJTLLKWBJRC-UHFFFAOYSA-N 0 0 505.953 4.811 50 0 KJAARN Cc1nc2nc(SCC(=O)NCc3c(F)cc(F)cc3F)nn2c(C)c1Cc1c(F)cccc1Cl ZINC000003042187 552273373 /nfs/dbraw/zinc/27/33/73/552273373.db2.gz KPIAMKXVULZLOK-UHFFFAOYSA-N 0 0 523.943 4.950 50 0 KJAARN 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YYXVTROHVZFNNQ-UHFFFAOYSA-N 0 0 512.404 4.849 50 0 KJAARN COc1cc(NC(=O)CSc2nc3nc(C)c(Cc4ccccc4Cl)c(C)n3n2)cc(OC)c1OC ZINC000003045736 552275862 /nfs/dbraw/zinc/27/58/62/552275862.db2.gz JVWXDXLKKARODZ-UHFFFAOYSA-N 0 0 528.034 4.742 50 0 KJAARN COc1cc(NC(=O)CSc2nc3nc(C)c(Cc4c(F)cccc4Cl)c(C)n3n2)cc(OC)c1OC ZINC000003045746 552275855 /nfs/dbraw/zinc/27/58/55/552275855.db2.gz QXMINMZUZMYQOU-UHFFFAOYSA-N 0 0 546.024 4.881 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3nc(C)c(Cc4c(F)cccc4Cl)c(C)n3n2)cc1OC ZINC000003045748 552275882 /nfs/dbraw/zinc/27/58/82/552275882.db2.gz JKAGMEGJQBJKDQ-UHFFFAOYSA-N 0 0 515.998 4.872 50 0 KJAARN COc1cc(NC(=O)CSc2nc3nc(C)c(Cc4c(F)cccc4Cl)c(C)n3n2)cc(OC)c1 ZINC000003045750 552275903 /nfs/dbraw/zinc/27/59/03/552275903.db2.gz DAIXBWNWGXBLBH-UHFFFAOYSA-N 0 0 515.998 4.872 50 0 KJAARN Cc1ccc(NC(=S)Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000003045884 552275864 /nfs/dbraw/zinc/27/58/64/552275864.db2.gz YPUNFDQCMIITDS-NOZRDPDXSA-N 0 0 599.757 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NC(=O)C1CCN(C(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)cc2)CC1 ZINC000003050353 552277100 /nfs/dbraw/zinc/27/71/00/552277100.db2.gz JFLRRPIILZTYRH-ONUIUJJFSA-N 0 0 515.610 4.843 50 0 KJAARN COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2cccc(Br)c2)C(Cl)(Cl)Cl)cc1 ZINC000003051446 552277395 /nfs/dbraw/zinc/27/73/95/552277395.db2.gz AVNFQZQFVKHCBC-INIZCTEOSA-N 0 0 539.666 4.648 50 0 KJAARN COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(Br)c2)C(Cl)(Cl)Cl)cc1 ZINC000003051449 552277384 /nfs/dbraw/zinc/27/73/84/552277384.db2.gz AVNFQZQFVKHCBC-MRXNPFEDSA-N 0 0 539.666 4.648 50 0 KJAARN CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(I)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003051640 552277834 /nfs/dbraw/zinc/27/78/34/552277834.db2.gz OCPWBIDHBSBFIM-INIZCTEOSA-N 0 0 585.682 4.662 50 0 KJAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(I)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003051642 552277802 /nfs/dbraw/zinc/27/78/02/552277802.db2.gz OCPWBIDHBSBFIM-MRXNPFEDSA-N 0 0 585.682 4.662 50 0 KJAARN CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000003051647 552277854 /nfs/dbraw/zinc/27/78/54/552277854.db2.gz QIDFRCUOETUSPY-INIZCTEOSA-N 0 0 585.682 4.662 50 0 KJAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000003051649 552277849 /nfs/dbraw/zinc/27/78/49/552277849.db2.gz QIDFRCUOETUSPY-MRXNPFEDSA-N 0 0 585.682 4.662 50 0 KJAARN CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2cccc(Br)c2)C(Cl)(Cl)Cl)cc1 ZINC000003051654 552277870 /nfs/dbraw/zinc/27/78/70/552277870.db2.gz DLQIIWMLSSJLPF-INIZCTEOSA-N 0 0 538.682 4.820 50 0 KJAARN CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(Br)c2)C(Cl)(Cl)Cl)cc1 ZINC000003051656 552277857 /nfs/dbraw/zinc/27/78/57/552277857.db2.gz DLQIIWMLSSJLPF-MRXNPFEDSA-N 0 0 538.682 4.820 50 0 KJAARN COc1ccccc1NC(=S)N[C@H](NC(=O)c1cccc(I)c1)C(Cl)(Cl)Cl ZINC000003051674 552277840 /nfs/dbraw/zinc/27/78/40/552277840.db2.gz JMKUVXSEEQJXIU-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccccc1NC(=S)N[C@@H](NC(=O)c1cccc(I)c1)C(Cl)(Cl)Cl ZINC000003051676 552277829 /nfs/dbraw/zinc/27/78/29/552277829.db2.gz JMKUVXSEEQJXIU-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccccc1NC(=S)N[C@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003051698 552277831 /nfs/dbraw/zinc/27/78/31/552277831.db2.gz FDSIFRWOWHFTSI-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003051700 552277862 /nfs/dbraw/zinc/27/78/62/552277862.db2.gz FDSIFRWOWHFTSI-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003051716 552278105 /nfs/dbraw/zinc/27/81/05/552278105.db2.gz KIKDVBOFKCTBTN-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003051717 552278124 /nfs/dbraw/zinc/27/81/24/552278124.db2.gz KIKDVBOFKCTBTN-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(I)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003051724 552278129 /nfs/dbraw/zinc/27/81/29/552278129.db2.gz VHIADXGBFXYRTP-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(I)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003051725 552278142 /nfs/dbraw/zinc/27/81/42/552278142.db2.gz VHIADXGBFXYRTP-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccc(NC(=S)N[C@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000003051748 552278132 /nfs/dbraw/zinc/27/81/32/552278132.db2.gz GQFOPOAZWNKBCM-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000003051750 552278079 /nfs/dbraw/zinc/27/80/79/552278079.db2.gz GQFOPOAZWNKBCM-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccccc1NC(=S)N[C@H](NC(=O)c1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003051950 552278134 /nfs/dbraw/zinc/27/81/34/552278134.db2.gz IMEDFVMATLNGRE-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003051952 552278089 /nfs/dbraw/zinc/27/80/89/552278089.db2.gz IMEDFVMATLNGRE-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)NCCc1ccccc1)n(CCC1=CCCCC1)c2=O ZINC000003052282 552278366 /nfs/dbraw/zinc/27/83/66/552278366.db2.gz MRQAQSLUJJLSKX-UHFFFAOYSA-N 0 0 505.640 4.525 50 0 KJAARN CCCCCn1c(SCc2ccc(C)cc2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O ZINC000003052284 552278395 /nfs/dbraw/zinc/27/83/95/552278395.db2.gz WBIHKSCGADOOLL-UHFFFAOYSA-N 0 0 506.672 4.525 50 0 KJAARN Cc1ccc(CSc2nc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3c(=O)n2C2CCCCC2)cc1 ZINC000003052306 552278650 /nfs/dbraw/zinc/27/86/50/552278650.db2.gz URTYZELBYYMDSI-UHFFFAOYSA-N 0 0 518.683 4.840 50 0 KJAARN NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCc2ccccc2F)n(C2CCCCC2)c3=O)CC1 ZINC000003052314 552278678 /nfs/dbraw/zinc/27/86/78/552278678.db2.gz QGHSQVZBOOORNJ-UHFFFAOYSA-N 0 0 522.646 4.671 50 0 KJAARN NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCc2cccc(F)c2)n(C2CCCCC2)c3=O)CC1 ZINC000003052316 552278685 /nfs/dbraw/zinc/27/86/85/552278685.db2.gz PZBRTEORCXLOFR-UHFFFAOYSA-N 0 0 522.646 4.671 50 0 KJAARN CCCCCn1c(SCc2ccc(Cl)cc2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O ZINC000003052326 552278654 /nfs/dbraw/zinc/27/86/54/552278654.db2.gz GXROYJLMKJNPAL-UHFFFAOYSA-N 0 0 527.090 4.870 50 0 KJAARN NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCc2ccc(Cl)cc2)n(-c2ccccc2)c3=O)CC1 ZINC000003052343 552278696 /nfs/dbraw/zinc/27/86/96/552278696.db2.gz CIMPXQIEVCYMGR-UHFFFAOYSA-N 0 0 533.053 4.669 50 0 KJAARN NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCc2ccc(Cl)cc2)n(-c2ccc(F)cc2)c3=O)CC1 ZINC000003052375 552278800 /nfs/dbraw/zinc/27/88/00/552278800.db2.gz UNZWKNXYCMCWQI-UHFFFAOYSA-N 0 0 551.043 4.808 50 0 KJAARN CN(Cc1ccccc1)C(=O)CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1-c1ccc(F)cc1 ZINC000003052378 552278821 /nfs/dbraw/zinc/27/88/21/552278821.db2.gz ANCSSNZFSDCZQP-UHFFFAOYSA-N 0 0 556.619 4.799 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000003052385 552278792 /nfs/dbraw/zinc/27/87/92/552278792.db2.gz LVAYQHOJPWYORM-UHFFFAOYSA-N 0 0 564.461 4.596 50 0 KJAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(Br)cc1)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000003052390 552278799 /nfs/dbraw/zinc/27/87/99/552278799.db2.gz FWAORUDKGMWHDE-UHFFFAOYSA-N 0 0 567.417 4.698 50 0 KJAARN COc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000003053018 552279153 /nfs/dbraw/zinc/27/91/53/552279153.db2.gz BMDFHDHFYCTXAD-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000003053019 552279139 /nfs/dbraw/zinc/27/91/39/552279139.db2.gz BMDFHDHFYCTXAD-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000003053030 552279146 /nfs/dbraw/zinc/27/91/46/552279146.db2.gz WQGIYHSWVKLFGZ-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000003053031 552279158 /nfs/dbraw/zinc/27/91/58/552279158.db2.gz WQGIYHSWVKLFGZ-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN COc1cccc(C(=O)N[C@H](NC(=S)Nc2cccc(Br)c2)C(Cl)(Cl)Cl)c1 ZINC000003053083 552279249 /nfs/dbraw/zinc/27/92/49/552279249.db2.gz QUDAXJIIGFKHCA-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COc1cccc(C(=O)N[C@@H](NC(=S)Nc2cccc(Br)c2)C(Cl)(Cl)Cl)c1 ZINC000003053087 552279272 /nfs/dbraw/zinc/27/92/72/552279272.db2.gz QUDAXJIIGFKHCA-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1C(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000003053088 552279293 /nfs/dbraw/zinc/27/92/93/552279293.db2.gz IMNRBOABIVLKNA-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1C(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000003053090 552279284 /nfs/dbraw/zinc/27/92/84/552279284.db2.gz IMNRBOABIVLKNA-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003053094 552279312 /nfs/dbraw/zinc/27/93/12/552279312.db2.gz UTNMEDOMLQFJAP-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003053096 552279308 /nfs/dbraw/zinc/27/93/08/552279308.db2.gz UTNMEDOMLQFJAP-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN COc1cccc(C(=O)N[C@H](NC(=S)Nc2ccc(I)cc2)C(Cl)(Cl)Cl)c1 ZINC000003053097 552279266 /nfs/dbraw/zinc/27/92/66/552279266.db2.gz ITVQSIYBOXHTSP-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN COc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccc(I)cc2)C(Cl)(Cl)Cl)c1 ZINC000003053099 552279246 /nfs/dbraw/zinc/27/92/46/552279246.db2.gz ITVQSIYBOXHTSP-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN COc1cccc(C(=O)N[C@H](NC(=S)Nc2ccccc2I)C(Cl)(Cl)Cl)c1 ZINC000003053101 552279259 /nfs/dbraw/zinc/27/92/59/552279259.db2.gz DDSOMEGWGOYDFB-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN COc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2I)C(Cl)(Cl)Cl)c1 ZINC000003053102 552279250 /nfs/dbraw/zinc/27/92/50/552279250.db2.gz DDSOMEGWGOYDFB-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000003053116 552279239 /nfs/dbraw/zinc/27/92/39/552279239.db2.gz GWIAJJCYVPFWSG-AWEZNQCLSA-N 0 0 528.630 4.704 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000003053118 552279257 /nfs/dbraw/zinc/27/92/57/552279257.db2.gz GWIAJJCYVPFWSG-CQSZACIVSA-N 0 0 528.630 4.704 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(I)cc1 ZINC000003053123 552279279 /nfs/dbraw/zinc/27/92/79/552279279.db2.gz DWHOPTPCIIECIZ-AWEZNQCLSA-N 0 0 528.630 4.704 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(I)cc1 ZINC000003053125 552279288 /nfs/dbraw/zinc/27/92/88/552279288.db2.gz DWHOPTPCIIECIZ-CQSZACIVSA-N 0 0 528.630 4.704 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000003053136 552279282 /nfs/dbraw/zinc/27/92/82/552279282.db2.gz VETMKPBKHLXYHZ-CQSZACIVSA-N 0 0 546.620 4.843 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1cccc(I)c1 ZINC000003053138 552279306 /nfs/dbraw/zinc/27/93/06/552279306.db2.gz VETMKPBKHLXYHZ-AWEZNQCLSA-N 0 0 546.620 4.843 50 0 KJAARN COc1cccc(C(=O)N[C@H](NC(=S)Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 ZINC000003053145 552279559 /nfs/dbraw/zinc/27/95/59/552279559.db2.gz YAOUWHMZJZUSMT-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 ZINC000003053147 552279576 /nfs/dbraw/zinc/27/95/76/552279576.db2.gz YAOUWHMZJZUSMT-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003053149 552279561 /nfs/dbraw/zinc/27/95/61/552279561.db2.gz HJEUZRPVUZOBCQ-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003053150 552279569 /nfs/dbraw/zinc/27/95/69/552279569.db2.gz HJEUZRPVUZOBCQ-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccc(I)cc1 ZINC000003053165 552279570 /nfs/dbraw/zinc/27/95/70/552279570.db2.gz PFIHFBSNAWTZHJ-CQSZACIVSA-N 0 0 546.620 4.843 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccc(I)cc1 ZINC000003053167 552279554 /nfs/dbraw/zinc/27/95/54/552279554.db2.gz PFIHFBSNAWTZHJ-AWEZNQCLSA-N 0 0 546.620 4.843 50 0 KJAARN COc1ccc(CC(=O)N[C@H](NC(=S)Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000003053169 552279553 /nfs/dbraw/zinc/27/95/53/552279553.db2.gz PLOHFFGZONOQNI-QGZVFWFLSA-N 0 0 511.258 4.699 50 0 KJAARN COc1ccc(CC(=O)N[C@@H](NC(=S)Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000003053170 552279517 /nfs/dbraw/zinc/27/95/17/552279517.db2.gz PLOHFFGZONOQNI-KRWDZBQOSA-N 0 0 511.258 4.699 50 0 KJAARN COc1ccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3Sc3ccccc3C2=O)c(OC)c1 ZINC000003055255 552280280 /nfs/dbraw/zinc/28/02/80/552280280.db2.gz OFGSZFFCBCJJOL-UHFFFAOYSA-N 0 0 517.607 4.690 50 0 KJAARN CN(C)c1ccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000003055436 552280523 /nfs/dbraw/zinc/28/05/23/552280523.db2.gz KYDZLBFHMXLHEN-UHFFFAOYSA-N 0 0 500.624 4.739 50 0 KJAARN COc1ccc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3Sc3ccccc3C2=O)cc1OC ZINC000003055437 552280520 /nfs/dbraw/zinc/28/05/20/552280520.db2.gz KWEQQXIGRSIRNE-UHFFFAOYSA-N 0 0 517.607 4.690 50 0 KJAARN COc1cc(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3Sc3ccccc3C2=O)cc(OC)c1 ZINC000003055439 552280498 /nfs/dbraw/zinc/28/04/98/552280498.db2.gz NYHIFFFEXDUIGT-UHFFFAOYSA-N 0 0 517.607 4.690 50 0 KJAARN COc1ccc(OC)c(NC(=O)CN2c3cc(C(=O)N4CCCC4)ccc3Sc3ccccc3C2=O)c1 ZINC000003055453 552280526 /nfs/dbraw/zinc/28/05/26/552280526.db2.gz OPSHUAHYZJSLQJ-UHFFFAOYSA-N 0 0 517.607 4.690 50 0 KJAARN CCCC(=O)Nc1cc(C(=O)NCc2ccc(OC)cc2)ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003056411 552280918 /nfs/dbraw/zinc/28/09/18/552280918.db2.gz CHKSHZJBPFTDMZ-UHFFFAOYSA-N 0 0 501.004 4.850 50 0 KJAARN CCOc1ccc(CCNC(=O)CN2C(=O)/C(=C\c3cccc(F)c3)Oc3ccccc32)cc1OCC ZINC000003056942 552281175 /nfs/dbraw/zinc/28/11/75/552281175.db2.gz RIQXRUDRKPUHSN-OVVQPSECSA-N 0 0 504.558 4.749 50 0 KJAARN CCOc1ccc(CCNC(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)Oc3ccccc32)cc1OCC ZINC000003057354 552281189 /nfs/dbraw/zinc/28/11/89/552281189.db2.gz PFYDEFSLSVCRSE-OVVQPSECSA-N 0 0 504.558 4.749 50 0 KJAARN CCOc1ccc(CCNC(=O)CN2C(=O)/C(=C\c3ccccc3F)Oc3ccccc32)cc1OCC ZINC000003057734 552281186 /nfs/dbraw/zinc/28/11/86/552281186.db2.gz DIHYLVVKZKJLSU-OVVQPSECSA-N 0 0 504.558 4.749 50 0 KJAARN COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1Br ZINC000003057880 552281427 /nfs/dbraw/zinc/28/14/27/552281427.db2.gz WSLOWHSKRXPMHY-YBNTXHARSA-N 0 0 567.461 4.894 50 0 KJAARN C[C@H](NC(=O)CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000003057989 552281419 /nfs/dbraw/zinc/28/14/19/552281419.db2.gz ODDOEPIZYIILAJ-STPJHCLOSA-N 0 0 535.394 4.864 50 0 KJAARN C[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000003057993 552281415 /nfs/dbraw/zinc/28/14/15/552281415.db2.gz ODDOEPIZYIILAJ-SCELWYEFSA-N 0 0 535.394 4.864 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)/C(=C\c3ccccc3Br)Oc3ccccc32)CC1 ZINC000003057996 552281391 /nfs/dbraw/zinc/28/13/91/552281391.db2.gz QULLXFKGUMQZRC-NLRVBDNBSA-N 0 0 548.437 4.573 50 0 KJAARN COc1ccc(CCNC(=O)CN2C(=O)/C(=C\c3ccccc3Br)Oc3ccccc32)cc1OC ZINC000003058015 552281406 /nfs/dbraw/zinc/28/14/06/552281406.db2.gz IOEUFRVYBWWUPL-PCLIKHOPSA-N 0 0 537.410 4.592 50 0 KJAARN O=C(CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000003058021 552281371 /nfs/dbraw/zinc/28/13/71/552281371.db2.gz CPUVXUFJLIYTED-NLRVBDNBSA-N 0 0 532.438 4.560 50 0 KJAARN O=C(CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000003058166 552281436 /nfs/dbraw/zinc/28/14/36/552281436.db2.gz QVUSHFAOZXYOPI-OVVQPSECSA-N 0 0 595.925 4.807 50 0 KJAARN O=C(CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000003058342 552281617 /nfs/dbraw/zinc/28/16/17/552281617.db2.gz RNWLGTUYUHKPJO-XIEYBQDHSA-N 0 0 518.411 4.564 50 0 KJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)/C(=C\c3ccccc3F)Oc3ccccc32)CC1 ZINC000003058649 552281608 /nfs/dbraw/zinc/28/16/08/552281608.db2.gz RITFVEZUYNRNAQ-WGOQTCKBSA-N 0 0 505.977 4.903 50 0 KJAARN O=C(CN1c2cc(C(=O)N3CCOCC3)ccc2Sc2ccccc2C1=O)Nc1ccccc1Cl ZINC000003058662 552281647 /nfs/dbraw/zinc/28/16/47/552281647.db2.gz HYJSUJNHZVLMLU-UHFFFAOYSA-N 0 0 507.999 4.563 50 0 KJAARN CSc1cccc(NC(=O)CN2c3cc(C(=O)N4CCOCC4)ccc3Sc3ccccc3C2=O)c1 ZINC000003058667 552281649 /nfs/dbraw/zinc/28/16/49/552281649.db2.gz NAQRYTHVLJBTTL-UHFFFAOYSA-N 0 0 519.648 4.631 50 0 KJAARN Cc1ccc(NC(=O)CN2c3cc(C(=O)N4CCOCC4)ccc3Sc3ccccc3C2=O)cc1C ZINC000003058670 552281607 /nfs/dbraw/zinc/28/16/07/552281607.db2.gz FTXYJWZEIKBCKN-UHFFFAOYSA-N 0 0 501.608 4.526 50 0 KJAARN Cc1ccc(NC(=O)CN2c3cc(C(=O)N4CCOCC4)ccc3Sc3ccccc3C2=O)c(Cl)c1 ZINC000003058672 552281642 /nfs/dbraw/zinc/28/16/42/552281642.db2.gz UZKXRCOFZSIJNP-UHFFFAOYSA-N 0 0 522.026 4.871 50 0 KJAARN Cc1cc(C)cc(NC(=O)CN2c3cc(C(=O)N4CCOCC4)ccc3Sc3ccccc3C2=O)c1 ZINC000003058673 552281644 /nfs/dbraw/zinc/28/16/44/552281644.db2.gz QZDVDSSHFQZYTA-UHFFFAOYSA-N 0 0 501.608 4.526 50 0 KJAARN O=C(CN1c2cc(C(=O)N3CCOCC3)ccc2Sc2ccccc2C1=O)Nc1ccc(F)c(Cl)c1 ZINC000003059849 552281726 /nfs/dbraw/zinc/28/17/26/552281726.db2.gz VVQMSIJOBOMFBV-UHFFFAOYSA-N 0 0 525.989 4.702 50 0 KJAARN O=C(CN1c2cc(C(=O)N3CCOCC3)ccc2Sc2ccccc2C1=O)Nc1ccc(Cl)cc1F ZINC000003059858 552281833 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TVKLNDMPJNTTPY-UHFFFAOYSA-N 0 0 552.096 4.939 50 0 KJAARN NC(=O)C1CCN(C(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000003062096 552282994 /nfs/dbraw/zinc/28/29/94/552282994.db2.gz DHIQGKDEMPLMBD-YZSQISJMSA-N 0 0 515.610 4.843 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S3)C1 ZINC000003062340 552282952 /nfs/dbraw/zinc/28/29/52/552282952.db2.gz WXPIMOPZPSSCBQ-PXMCARDJSA-N 0 0 524.639 4.619 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S3)C1 ZINC000003062342 552282954 /nfs/dbraw/zinc/28/29/54/552282954.db2.gz WXPIMOPZPSSCBQ-RASHHNMQSA-N 0 0 524.639 4.619 50 0 KJAARN O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000003062370 552282921 /nfs/dbraw/zinc/28/29/21/552282921.db2.gz KMJDLZBUMDYVHM-UHFFFAOYSA-N 0 0 523.836 4.632 50 0 KJAARN O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003062378 552282981 /nfs/dbraw/zinc/28/29/81/552282981.db2.gz FTWQOSNQXWLAKH-UHFFFAOYSA-N 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KJAARN Cc1nc(-c2ccc(S(=O)(=O)N3CCCN(c4nc(-c5ccccc5)ns4)CC3)s2)cs1 ZINC000003078803 552285335 /nfs/dbraw/zinc/28/53/35/552285335.db2.gz WVVCCGHDUJNQOL-UHFFFAOYSA-N 0 0 503.700 4.600 50 0 KJAARN CCc1ccc(Oc2coc3cc(OC(=O)CCNS(=O)(=O)c4ccc(C)cc4)ccc3c2=O)cc1 ZINC000003079134 552285325 /nfs/dbraw/zinc/28/53/25/552285325.db2.gz NKVSATUEVKWGFB-UHFFFAOYSA-N 0 0 507.564 4.730 50 0 biogenic KJAARN O=C(CSc1nc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2s1)Nc1ccccc1 ZINC000003097339 552287728 /nfs/dbraw/zinc/28/77/28/552287728.db2.gz YQKFSSLILPUGSN-UHFFFAOYSA-N 0 0 533.664 4.734 50 0 KJAARN CN(CCOC(=O)c1c(F)cccc1F)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)c1Cl ZINC000003104697 552288676 /nfs/dbraw/zinc/28/86/76/552288676.db2.gz PLMSXSQAZZGDGK-UHFFFAOYSA-N 0 0 523.245 4.525 50 0 KJAARN O=C1NC2(CCN(c3cnn(-c4ccc(Cl)cc4Cl)c(=O)c3Cl)CC2)NN1c1ccc(Cl)cc1 ZINC000003104702 552288695 /nfs/dbraw/zinc/28/86/95/552288695.db2.gz MNEUZNKYNCSVGI-UHFFFAOYSA-N 0 0 540.238 4.877 50 0 KJAARN COc1ccc(NC(=O)[C@H](C)Sc2nnc3c4c(nc(-c5ccc(OC)cc5)n23)CC(C)(C)OC4)cc1 ZINC000003105630 552288653 /nfs/dbraw/zinc/28/86/53/552288653.db2.gz JPMQCWXRLKRTOL-INIZCTEOSA-N 0 0 519.627 4.779 50 0 KJAARN COc1ccc(NC(=O)[C@@H](C)Sc2nnc3c4c(nc(-c5ccc(OC)cc5)n23)CC(C)(C)OC4)cc1 ZINC000003105632 552288686 /nfs/dbraw/zinc/28/86/86/552288686.db2.gz JPMQCWXRLKRTOL-MRXNPFEDSA-N 0 0 519.627 4.779 50 0 KJAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)c(Cl)c1 ZINC000003111111 552289544 /nfs/dbraw/zinc/28/95/44/552289544.db2.gz IWGRHCVYFPLHQX-UHFFFAOYSA-N 0 0 517.934 4.847 50 0 KJAARN CC(=O)Nc1ccc(Nc2cc(Cl)c(S(=O)(=O)C(F)(F)F)cc2S(=O)(=O)C(F)(F)F)cc1 ZINC000003111382 552289521 /nfs/dbraw/zinc/28/95/21/552289521.db2.gz JEGWGHFBOZNBJD-UHFFFAOYSA-N 0 0 524.848 4.629 50 0 KJAARN COc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003117922 552290621 /nfs/dbraw/zinc/29/06/21/552290621.db2.gz PXTAGGUUDJXIBR-UHFFFAOYSA-N 0 0 505.061 4.761 50 0 KJAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003123267 552291402 /nfs/dbraw/zinc/29/14/02/552291402.db2.gz HHQJSXCOXPRZEU-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003123268 552291318 /nfs/dbraw/zinc/29/13/18/552291318.db2.gz HHQJSXCOXPRZEU-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN CCn1c(CNS(=O)(=O)c2ccc(Br)cc2)nnc1SCc1ccc(C(F)(F)F)cc1 ZINC000003125404 552291628 /nfs/dbraw/zinc/29/16/28/552291628.db2.gz HEOJCKHPLNCVGD-UHFFFAOYSA-N 0 0 535.411 4.850 50 0 KJAARN Cc1ccc(S(=O)(=O)Oc2cc3c(cc2OS(=O)(=O)c2ccc(C)cc2)C(=O)CC(C)(C)O3)cc1 ZINC000003126307 552291637 /nfs/dbraw/zinc/29/16/37/552291637.db2.gz ZFSLWBNZUGXYMN-UHFFFAOYSA-N 0 0 516.593 4.583 50 0 KJAARN O=S(=O)(NN=c1[nH]cc(C(F)(F)F)cc1Cl)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000003128167 552291996 /nfs/dbraw/zinc/29/19/96/552291996.db2.gz FFVRBMRMQGOQTJ-UHFFFAOYSA-N 0 0 520.242 4.917 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003130854 552292451 /nfs/dbraw/zinc/29/24/51/552292451.db2.gz VYHCCRLQMJGYFV-CQSZACIVSA-N 0 0 528.630 4.704 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003130855 552292472 /nfs/dbraw/zinc/29/24/72/552292472.db2.gz VYHCCRLQMJGYFV-AWEZNQCLSA-N 0 0 528.630 4.704 50 0 KJAARN COc1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1I)C(Cl)(Cl)Cl ZINC000003137464 552293760 /nfs/dbraw/zinc/29/37/60/552293760.db2.gz RCFCGOXVDGPVFD-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccccc1I)C(Cl)(Cl)Cl ZINC000003137465 552293788 /nfs/dbraw/zinc/29/37/88/552293788.db2.gz RCFCGOXVDGPVFD-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1I ZINC000003137471 552293764 /nfs/dbraw/zinc/29/37/64/552293764.db2.gz KBADFJHCXZPXKW-AWEZNQCLSA-N 0 0 528.630 4.704 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1I ZINC000003137472 552293767 /nfs/dbraw/zinc/29/37/67/552293767.db2.gz KBADFJHCXZPXKW-CQSZACIVSA-N 0 0 528.630 4.704 50 0 KJAARN COc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2I)C(Cl)(Cl)Cl)cc1 ZINC000003137481 552293758 /nfs/dbraw/zinc/29/37/58/552293758.db2.gz JNYJBGMLDTZZPU-HNNXBMFYSA-N 0 0 558.656 4.713 50 0 KJAARN COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2I)C(Cl)(Cl)Cl)cc1 ZINC000003137482 552293792 /nfs/dbraw/zinc/29/37/92/552293792.db2.gz JNYJBGMLDTZZPU-OAHLLOKOSA-N 0 0 558.656 4.713 50 0 KJAARN CC(=O)Oc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2I)C(Cl)(Cl)Cl)cc1 ZINC000003137485 552293762 /nfs/dbraw/zinc/29/37/62/552293762.db2.gz FVMKZAVMGGDGSP-INIZCTEOSA-N 0 0 586.666 4.629 50 0 KJAARN CC(=O)Oc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2I)C(Cl)(Cl)Cl)cc1 ZINC000003137486 552293763 /nfs/dbraw/zinc/29/37/63/552293763.db2.gz FVMKZAVMGGDGSP-MRXNPFEDSA-N 0 0 586.666 4.629 50 0 KJAARN COc1ccc(N[C@H](NC(=O)c2ccccc2)C(Br)(Br)Br)cc1 ZINC000003142291 552294626 /nfs/dbraw/zinc/29/46/26/552294626.db2.gz YKSWNPUOMBKQPB-OAHLLOKOSA-N 0 0 507.020 4.702 50 0 KJAARN COc1ccc(N[C@@H](NC(=O)c2ccccc2)C(Br)(Br)Br)cc1 ZINC000003142292 552294657 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ZINC000003245311 552320568 /nfs/dbraw/zinc/32/05/68/552320568.db2.gz JQODBNBAOUVUEQ-UHFFFAOYSA-N 0 0 513.522 4.735 50 0 KJAARN O=C(CN1C(=O)c2ccccc2C1=O)O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003245999 552320642 /nfs/dbraw/zinc/32/06/42/552320642.db2.gz XZYNOIXDHNVHSJ-NRFANRHFSA-N 0 0 516.859 4.878 50 0 KJAARN O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003246001 552320658 /nfs/dbraw/zinc/32/06/58/552320658.db2.gz XZYNOIXDHNVHSJ-OAQYLSRUSA-N 0 0 516.859 4.878 50 0 KJAARN CC(C)N(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000003246149 552320664 /nfs/dbraw/zinc/32/06/64/552320664.db2.gz IZXDGWJJVLIBGM-UHFFFAOYSA-N 0 0 595.722 4.628 50 0 KJAARN CN(Cc1ccccc1)Cn1nc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n(-c2ccccc2)c1=S ZINC000003246193 552320670 /nfs/dbraw/zinc/32/06/70/552320670.db2.gz AIUVKDDGTOBWTH-UHFFFAOYSA-N 0 0 519.696 4.944 50 0 KJAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003246200 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Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000003253661 552323527 /nfs/dbraw/zinc/32/35/27/552323527.db2.gz PTYRUNGZIUQORT-FQEVSTJZSA-N 0 0 525.638 4.555 50 0 KJAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000003253663 552323545 /nfs/dbraw/zinc/32/35/45/552323545.db2.gz PTYRUNGZIUQORT-HXUWFJFHSA-N 0 0 525.638 4.555 50 0 KJAARN COc1ccc2c(c1)c(CC(=O)OCC(=O)Nc1ccc3c(c1)OCCO3)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000003253692 552323531 /nfs/dbraw/zinc/32/35/31/552323531.db2.gz TYYPUVQFSJGZRH-UHFFFAOYSA-N 0 0 548.979 4.796 50 0 KJAARN Cc1cccc(C)c1-n1c(SCC(=O)c2ccccc2F)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000003253833 552323549 /nfs/dbraw/zinc/32/35/49/552323549.db2.gz RDGVIDPTHZOYCF-UHFFFAOYSA-N 0 0 524.643 4.916 50 0 KJAARN COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000003253868 552323602 /nfs/dbraw/zinc/32/36/02/552323602.db2.gz HKAMJXZIMSDBDN-UHFFFAOYSA-N 0 0 521.328 4.954 50 0 KJAARN 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COc1cc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc(OC)c1OC ZINC000003270694 552331819 /nfs/dbraw/zinc/33/18/19/552331819.db2.gz NBHIHPQOFXOAGL-UHFFFAOYSA-N 0 0 508.621 4.937 50 0 KJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000003271455 552332005 /nfs/dbraw/zinc/33/20/05/552332005.db2.gz GVSPJWDXYXUJRX-HNNXBMFYSA-N 0 0 519.406 4.929 50 0 KJAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000003271457 552332036 /nfs/dbraw/zinc/33/20/36/552332036.db2.gz GVSPJWDXYXUJRX-OAHLLOKOSA-N 0 0 519.406 4.929 50 0 KJAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003271929 552332251 /nfs/dbraw/zinc/33/22/51/552332251.db2.gz GLELGKXDJFGSPB-UHFFFAOYSA-N 0 0 531.103 4.782 50 0 KJAARN COc1ccc(/C=C2\N=C(SCC(=O)NCc3ccc4c(c3)OCO4)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000003272205 1066514110 /nfs/dbraw/zinc/51/41/10/1066514110.db2.gz OQFMGTHFXUPIIA-CFRMEGHHSA-N 0 0 529.618 4.834 50 0 KJAARN 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COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003273450 552332810 /nfs/dbraw/zinc/33/28/10/552332810.db2.gz AYMPWSYGZUMVIG-UHFFFAOYSA-N 0 0 535.405 4.549 50 0 KJAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003273624 552333101 /nfs/dbraw/zinc/33/31/01/552333101.db2.gz YLUZVBRIEUDQNF-UHFFFAOYSA-N 0 0 535.695 4.918 50 0 KJAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000003273649 552333114 /nfs/dbraw/zinc/33/31/14/552333114.db2.gz LKBISERCWSCDEP-UHFFFAOYSA-N 0 0 530.444 4.782 50 0 KJAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)Nc1ncc(Cl)cc1Cl ZINC000003273669 552333072 /nfs/dbraw/zinc/33/30/72/552333072.db2.gz XQRFFOJALXEDCR-UHFFFAOYSA-N 0 0 554.839 4.584 50 0 KJAARN O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)Nc1ncc(Cl)cc1Cl ZINC000003274714 552333557 /nfs/dbraw/zinc/33/35/57/552333557.db2.gz BHHABXVSDFFROL-UHFFFAOYSA-N 0 0 559.225 4.747 50 0 KJAARN 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COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000003275502 552333865 /nfs/dbraw/zinc/33/38/65/552333865.db2.gz GOWHJMDGZJDPMP-UHFFFAOYSA-N 0 0 530.533 4.510 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(I)cc2)c1 ZINC000003275643 552333849 /nfs/dbraw/zinc/33/38/49/552333849.db2.gz GNWIOULOHBILBC-UHFFFAOYSA-N 0 0 598.846 4.955 50 0 KJAARN COc1ccc(CCNC(=O)COC(=O)CSc2ccc3ccccc3c2Br)cc1OC ZINC000003275676 552333856 /nfs/dbraw/zinc/33/38/56/552333856.db2.gz WAQLUIGPAGEERK-UHFFFAOYSA-N 0 0 518.429 4.614 50 0 KJAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)N(C1CCCCC1)C1CCCCC1 ZINC000003275738 552333869 /nfs/dbraw/zinc/33/38/69/552333869.db2.gz UQSUCPBGCGHBKP-UHFFFAOYSA-N 0 0 509.624 4.715 50 0 KJAARN Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)ccc1Br ZINC000003276031 552334108 /nfs/dbraw/zinc/33/41/08/552334108.db2.gz RTZDIGXFNFZPRG-QGZVFWFLSA-N 0 0 543.439 4.693 50 0 KJAARN Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)ccc1Br ZINC000003276034 552334037 /nfs/dbraw/zinc/33/40/37/552334037.db2.gz RTZDIGXFNFZPRG-KRWDZBQOSA-N 0 0 543.439 4.693 50 0 KJAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cccc(C(F)(F)F)c1 ZINC000003276353 552334115 /nfs/dbraw/zinc/33/41/15/552334115.db2.gz XLKGGDVUTLNOAR-UHFFFAOYSA-N 0 0 503.498 4.887 50 0 KJAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000003276701 552334333 /nfs/dbraw/zinc/33/43/33/552334333.db2.gz QNHSDMSIVYLWNY-QGZVFWFLSA-N 0 0 513.015 4.838 50 0 KJAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000003276702 552334433 /nfs/dbraw/zinc/33/44/33/552334433.db2.gz QNHSDMSIVYLWNY-KRWDZBQOSA-N 0 0 513.015 4.838 50 0 KJAARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1OC ZINC000003276975 552334309 /nfs/dbraw/zinc/33/43/09/552334309.db2.gz QTHLZTCTJQEEQN-UHFFFAOYSA-N 0 0 591.923 4.506 50 0 KJAARN 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C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000003278743 552335025 /nfs/dbraw/zinc/33/50/25/552335025.db2.gz AMMKCBHUYWMSRC-GFCCVEGCSA-N 0 0 529.405 4.957 50 0 KJAARN COc1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc(CN2C(=O)c3ccccc3C2=O)c1OC ZINC000003279177 552335373 /nfs/dbraw/zinc/33/53/73/552335373.db2.gz QBZADHYOWJGYOX-UHFFFAOYSA-N 0 0 533.924 4.560 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)s1 ZINC000003279190 552335341 /nfs/dbraw/zinc/33/53/41/552335341.db2.gz XYTPGIWJCVAPAN-UHFFFAOYSA-N 0 0 546.095 4.860 50 0 KJAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(=O)oc4cc(C)c(Cl)cc34)n2C)c1 ZINC000003279351 552335303 /nfs/dbraw/zinc/33/53/03/552335303.db2.gz BFJQRJCLNQOGSG-UHFFFAOYSA-N 0 0 533.075 4.873 50 0 KJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000003280393 552335583 /nfs/dbraw/zinc/33/55/83/552335583.db2.gz LKJBXPVCFGNRRV-KRWDZBQOSA-N 0 0 551.621 4.885 50 0 KJAARN 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Cc1cc2oc(=O)cc(COC(=O)CCNS(=O)(=O)c3c(Cl)cccc3Cl)c2cc1C(C)C ZINC000003376289 552376576 /nfs/dbraw/zinc/37/65/76/552376576.db2.gz RDERBTWMFSTXAN-UHFFFAOYSA-N 0 0 512.411 4.943 50 0 KJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1 ZINC000003377492 552376856 /nfs/dbraw/zinc/37/68/56/552376856.db2.gz LKZLSJJGFVTSGF-UHFFFAOYSA-N 0 0 591.690 4.859 50 0 KJAARN C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc5c(c4)NC(=O)CO5)n(-c4ccccc4)c(=O)c32)C1 ZINC000003378376 552377118 /nfs/dbraw/zinc/37/71/18/552377118.db2.gz DEXCUBWZXXGUKB-HNNXBMFYSA-N 0 0 517.632 4.878 50 0 KJAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccc5c(c4)NC(=O)CO5)n(-c4ccccc4)c(=O)c32)C1 ZINC000003378380 552377126 /nfs/dbraw/zinc/37/71/26/552377126.db2.gz DEXCUBWZXXGUKB-OAHLLOKOSA-N 0 0 517.632 4.878 50 0 KJAARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1OC ZINC000003378762 552377427 /nfs/dbraw/zinc/37/74/27/552377427.db2.gz XJRWEQCESPMELE-UHFFFAOYSA-N 0 0 530.427 4.509 50 0 KJAARN O=C(OCCOc1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000003378865 552377369 /nfs/dbraw/zinc/37/73/69/552377369.db2.gz YVJXNUGZSMOSCM-UHFFFAOYSA-N 0 0 516.413 4.826 50 0 KJAARN CC(C)(C)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cc1 ZINC000003380142 552377922 /nfs/dbraw/zinc/37/79/22/552377922.db2.gz FPWOLDJEFZKZQZ-UHFFFAOYSA-N 0 0 552.274 4.514 50 0 KJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2n[nH]c(COc3ccc(C)cc3)n2)cc1 ZINC000003383770 552378410 /nfs/dbraw/zinc/37/84/10/552378410.db2.gz ROODKOALWZLMRC-UHFFFAOYSA-N 0 0 503.584 4.684 50 0 KJAARN Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000003383812 552378689 /nfs/dbraw/zinc/37/86/89/552378689.db2.gz CGOGEWBSFRONMI-UHFFFAOYSA-N 0 0 511.513 4.736 50 0 KJAARN Cc1ccc(-n2c(SCC(=O)N(c3ccccc3)[C@@H]3C=CS(=O)(=O)C3)nnc2-c2ccccc2)cc1C ZINC000003384236 552378667 /nfs/dbraw/zinc/37/86/67/552378667.db2.gz SFCIXTNYKABYJJ-RUZDIDTESA-N 0 0 530.675 4.987 50 0 KJAARN Cc1ccc(-n2c(SCC(=O)N(c3ccccc3)[C@H]3C=CS(=O)(=O)C3)nnc2-c2ccccc2)cc1C ZINC000003384240 552378713 /nfs/dbraw/zinc/37/87/13/552378713.db2.gz SFCIXTNYKABYJJ-VWLOTQADSA-N 0 0 530.675 4.987 50 0 KJAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000003384946 552378707 /nfs/dbraw/zinc/37/87/07/552378707.db2.gz FEBZXLYIWDBQKA-ZHACJKMWSA-N 0 0 591.469 4.957 50 0 KJAARN COc1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1Br)C(Cl)(Cl)Cl ZINC000003388298 552379068 /nfs/dbraw/zinc/37/90/68/552379068.db2.gz VTLYRJZGNWBXSQ-HNNXBMFYSA-N 0 0 511.656 4.870 50 0 KJAARN COc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccccc1Br)C(Cl)(Cl)Cl ZINC000003388302 552379014 /nfs/dbraw/zinc/37/90/14/552379014.db2.gz VTLYRJZGNWBXSQ-OAHLLOKOSA-N 0 0 511.656 4.870 50 0 KJAARN COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1Br)C(Cl)(Cl)Cl ZINC000003388326 552379012 /nfs/dbraw/zinc/37/90/12/552379012.db2.gz FBVAXGQOOBSWHR-INIZCTEOSA-N 0 0 539.666 4.648 50 0 KJAARN COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)c1ccccc1Br)C(Cl)(Cl)Cl 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COc1ccc(-c2csc(NC(=O)[C@H](CCSC)NS(=O)(=O)c3ccc(Cl)cc3)n2)c(OC)c1 ZINC000003476655 552390406 /nfs/dbraw/zinc/39/04/06/552390406.db2.gz UQWSUCMCIAXXKO-SFHVURJKSA-N 0 0 542.104 4.519 50 0 KJAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003486937 552390412 /nfs/dbraw/zinc/39/04/12/552390412.db2.gz XOVCMUQSVILWRV-UHFFFAOYSA-N 0 0 501.340 4.667 50 0 KJAARN Cc1c(NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)c(=O)n(-c2ccccc2)n1C ZINC000003525691 552391013 /nfs/dbraw/zinc/39/10/13/552391013.db2.gz OSPPGDVLLXGLTK-UHFFFAOYSA-N 0 0 504.593 4.618 50 0 KJAARN Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc3)C2=O)cc1 ZINC000003586628 552391766 /nfs/dbraw/zinc/39/17/66/552391766.db2.gz QVPGQTZLQNWVSC-XHLNEMQHSA-N 0 0 531.616 4.714 50 0 KJAARN Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN4CCCC4=O)cc3)C2=O)cc1 ZINC000003586668 552391780 /nfs/dbraw/zinc/39/17/80/552391780.db2.gz CPWBCGFPMVMAOM-VFCFBJKWSA-N 0 0 509.606 4.704 50 0 KJAARN CN1C(=O)/C(=C\c2ccccc2F)Sc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc21 ZINC000003588390 552392012 /nfs/dbraw/zinc/39/20/12/552392012.db2.gz XUIWXYNIJWNCBR-JVWAILMASA-N 0 0 531.609 4.622 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)cc1S(=O)(=O)NCCO ZINC000003617883 552392650 /nfs/dbraw/zinc/39/26/50/552392650.db2.gz SXQNLHOHCFLVGM-UHFFFAOYSA-N 0 0 518.517 4.518 50 0 KJAARN COc1ccc2nc(NC(=O)[C@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000003621236 552393476 /nfs/dbraw/zinc/39/34/76/552393476.db2.gz RKPMQCSPUFYIKO-UIOOFZCWSA-N 0 0 563.632 4.889 50 0 KJAARN COc1ccc2nc(NC(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000003621240 552393500 /nfs/dbraw/zinc/39/35/00/552393500.db2.gz RKPMQCSPUFYIKO-FTJBHMTQSA-N 0 0 563.632 4.889 50 0 KJAARN COc1ccc2nc(NC(=O)[C@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000003621244 552393677 /nfs/dbraw/zinc/39/36/77/552393677.db2.gz RKPMQCSPUFYIKO-IZZNHLLZSA-N 0 0 563.632 4.889 50 0 KJAARN COc1ccc2nc(NC(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000003621247 552393692 /nfs/dbraw/zinc/39/36/92/552393692.db2.gz RKPMQCSPUFYIKO-CLJLJLNGSA-N 0 0 563.632 4.889 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621250 552393716 /nfs/dbraw/zinc/39/37/16/552393716.db2.gz LCEPYHMVOKYTQG-DQEYMECFSA-N 0 0 533.606 4.880 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621253 552393732 /nfs/dbraw/zinc/39/37/32/552393732.db2.gz LCEPYHMVOKYTQG-RPBOFIJWSA-N 0 0 533.606 4.880 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621256 552393644 /nfs/dbraw/zinc/39/36/44/552393644.db2.gz LCEPYHMVOKYTQG-LOSJGSFVSA-N 0 0 533.606 4.880 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621259 552393649 /nfs/dbraw/zinc/39/36/49/552393649.db2.gz LCEPYHMVOKYTQG-JWQCQUIFSA-N 0 0 533.606 4.880 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)NCCC3=CCCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621262 552393718 /nfs/dbraw/zinc/39/37/18/552393718.db2.gz GSTVOYDUIYFMIY-SVBPBHIXSA-N 0 0 508.615 4.638 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)NCCC3=CCCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621265 552393739 /nfs/dbraw/zinc/39/37/39/552393739.db2.gz GSTVOYDUIYFMIY-SXOMAYOGSA-N 0 0 508.615 4.638 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCC3=CCCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621268 552393685 /nfs/dbraw/zinc/39/36/85/552393685.db2.gz GSTVOYDUIYFMIY-RRPNLBNLSA-N 0 0 508.615 4.638 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)NCCC3=CCCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621271 552393728 /nfs/dbraw/zinc/39/37/28/552393728.db2.gz GSTVOYDUIYFMIY-KAYWLYCHSA-N 0 0 508.615 4.638 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C)c(F)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621330 552393726 /nfs/dbraw/zinc/39/37/26/552393726.db2.gz RWJSHBGLONRUQX-UIOOFZCWSA-N 0 0 508.546 4.718 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C)c(F)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621334 552393711 /nfs/dbraw/zinc/39/37/11/552393711.db2.gz RWJSHBGLONRUQX-FTJBHMTQSA-N 0 0 508.546 4.718 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C)c(F)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621336 552393707 /nfs/dbraw/zinc/39/37/07/552393707.db2.gz RWJSHBGLONRUQX-IZZNHLLZSA-N 0 0 508.546 4.718 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C)c(F)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621339 552393673 /nfs/dbraw/zinc/39/36/73/552393673.db2.gz RWJSHBGLONRUQX-CLJLJLNGSA-N 0 0 508.546 4.718 50 0 KJAARN COc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003621367 552393915 /nfs/dbraw/zinc/39/39/15/552393915.db2.gz DYWHKFKDVYRYAV-UIOOFZCWSA-N 0 0 541.000 4.932 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003621370 552393935 /nfs/dbraw/zinc/39/39/35/552393935.db2.gz DYWHKFKDVYRYAV-FTJBHMTQSA-N 0 0 541.000 4.932 50 0 KJAARN COc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003621373 552393944 /nfs/dbraw/zinc/39/39/44/552393944.db2.gz DYWHKFKDVYRYAV-IZZNHLLZSA-N 0 0 541.000 4.932 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003621376 552393936 /nfs/dbraw/zinc/39/39/36/552393936.db2.gz DYWHKFKDVYRYAV-CLJLJLNGSA-N 0 0 541.000 4.932 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(F)cc3F)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621391 552393925 /nfs/dbraw/zinc/39/39/25/552393925.db2.gz HJTFDKCNGHWXFA-DQEYMECFSA-N 0 0 512.509 4.548 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3F)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621394 552393953 /nfs/dbraw/zinc/39/39/53/552393953.db2.gz HJTFDKCNGHWXFA-RPBOFIJWSA-N 0 0 512.509 4.548 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3F)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621397 552393918 /nfs/dbraw/zinc/39/39/18/552393918.db2.gz HJTFDKCNGHWXFA-LOSJGSFVSA-N 0 0 512.509 4.548 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3F)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621400 552393942 /nfs/dbraw/zinc/39/39/42/552393942.db2.gz HJTFDKCNGHWXFA-JWQCQUIFSA-N 0 0 512.509 4.548 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000003621428 552393920 /nfs/dbraw/zinc/39/39/20/552393920.db2.gz WSDXUGHPBQMMAQ-UIOOFZCWSA-N 0 0 541.000 4.932 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000003621431 552393926 /nfs/dbraw/zinc/39/39/26/552393926.db2.gz WSDXUGHPBQMMAQ-FTJBHMTQSA-N 0 0 541.000 4.932 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003621434 552393940 /nfs/dbraw/zinc/39/39/40/552393940.db2.gz WSDXUGHPBQMMAQ-IZZNHLLZSA-N 0 0 541.000 4.932 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003621436 552393946 /nfs/dbraw/zinc/39/39/46/552393946.db2.gz WSDXUGHPBQMMAQ-CLJLJLNGSA-N 0 0 541.000 4.932 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003621464 552393917 /nfs/dbraw/zinc/39/39/17/552393917.db2.gz XEGWREAUGBTFOU-SVBPBHIXSA-N 0 0 571.026 4.941 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003621468 552393921 /nfs/dbraw/zinc/39/39/21/552393921.db2.gz XEGWREAUGBTFOU-SXOMAYOGSA-N 0 0 571.026 4.941 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003621471 552394198 /nfs/dbraw/zinc/39/41/98/552394198.db2.gz XEGWREAUGBTFOU-RRPNLBNLSA-N 0 0 571.026 4.941 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003621475 552394139 /nfs/dbraw/zinc/39/41/39/552394139.db2.gz XEGWREAUGBTFOU-KAYWLYCHSA-N 0 0 571.026 4.941 50 0 KJAARN CCOc1ccccc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000003621775 552394400 /nfs/dbraw/zinc/39/44/00/552394400.db2.gz NKDSWFWZHOPHKE-SVBPBHIXSA-N 0 0 520.582 4.669 50 0 KJAARN CCOc1ccccc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000003621777 552394401 /nfs/dbraw/zinc/39/44/01/552394401.db2.gz NKDSWFWZHOPHKE-SXOMAYOGSA-N 0 0 520.582 4.669 50 0 KJAARN CCOc1ccccc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003621780 552394387 /nfs/dbraw/zinc/39/43/87/552394387.db2.gz NKDSWFWZHOPHKE-RRPNLBNLSA-N 0 0 520.582 4.669 50 0 KJAARN CCOc1ccccc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003621782 552394415 /nfs/dbraw/zinc/39/44/15/552394415.db2.gz NKDSWFWZHOPHKE-KAYWLYCHSA-N 0 0 520.582 4.669 50 0 KJAARN COc1ccc(C)cc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000003621799 552394425 /nfs/dbraw/zinc/39/44/25/552394425.db2.gz CQQHDNBPWMVYPI-SVBPBHIXSA-N 0 0 520.582 4.587 50 0 KJAARN COc1ccc(C)cc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000003621802 552394439 /nfs/dbraw/zinc/39/44/39/552394439.db2.gz CQQHDNBPWMVYPI-SXOMAYOGSA-N 0 0 520.582 4.587 50 0 KJAARN COc1ccc(C)cc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003621805 552394418 /nfs/dbraw/zinc/39/44/18/552394418.db2.gz CQQHDNBPWMVYPI-RRPNLBNLSA-N 0 0 520.582 4.587 50 0 KJAARN COc1ccc(C)cc1NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003621808 552394396 /nfs/dbraw/zinc/39/43/96/552394396.db2.gz CQQHDNBPWMVYPI-KAYWLYCHSA-N 0 0 520.582 4.587 50 0 KJAARN CCc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000003621837 552394435 /nfs/dbraw/zinc/39/44/35/552394435.db2.gz LMGJODDNDPRPOU-SVBPBHIXSA-N 0 0 504.583 4.833 50 0 KJAARN CCc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000003621840 552394392 /nfs/dbraw/zinc/39/43/92/552394392.db2.gz LMGJODDNDPRPOU-SXOMAYOGSA-N 0 0 504.583 4.833 50 0 KJAARN CCc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000003621844 552394554 /nfs/dbraw/zinc/39/45/54/552394554.db2.gz LMGJODDNDPRPOU-RRPNLBNLSA-N 0 0 504.583 4.833 50 0 KJAARN CCc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000003621848 552394579 /nfs/dbraw/zinc/39/45/79/552394579.db2.gz LMGJODDNDPRPOU-KAYWLYCHSA-N 0 0 504.583 4.833 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003621902 552394542 /nfs/dbraw/zinc/39/45/42/552394542.db2.gz DMFWSRPIKFUNDB-DQEYMECFSA-N 0 0 533.606 4.880 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003621905 552394596 /nfs/dbraw/zinc/39/45/96/552394596.db2.gz DMFWSRPIKFUNDB-RPBOFIJWSA-N 0 0 533.606 4.880 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003621910 552394539 /nfs/dbraw/zinc/39/45/39/552394539.db2.gz DMFWSRPIKFUNDB-LOSJGSFVSA-N 0 0 533.606 4.880 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003621913 552394591 /nfs/dbraw/zinc/39/45/91/552394591.db2.gz DMFWSRPIKFUNDB-JWQCQUIFSA-N 0 0 533.606 4.880 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003621917 552394548 /nfs/dbraw/zinc/39/45/48/552394548.db2.gz UUXNZUUZKTWWEI-ZEQRLZLVSA-N 0 0 503.580 4.871 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003621920 552394559 /nfs/dbraw/zinc/39/45/59/552394559.db2.gz UUXNZUUZKTWWEI-RPWUZVMVSA-N 0 0 503.580 4.871 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003621922 552394566 /nfs/dbraw/zinc/39/45/66/552394566.db2.gz UUXNZUUZKTWWEI-BJKOFHAPSA-N 0 0 503.580 4.871 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003621925 552394576 /nfs/dbraw/zinc/39/45/76/552394576.db2.gz UUXNZUUZKTWWEI-DNQXCXABSA-N 0 0 503.580 4.871 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622060 552394933 /nfs/dbraw/zinc/39/49/33/552394933.db2.gz VUHCXVZINJYBPT-DQEYMECFSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622064 552394926 /nfs/dbraw/zinc/39/49/26/552394926.db2.gz VUHCXVZINJYBPT-RPBOFIJWSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622067 552394938 /nfs/dbraw/zinc/39/49/38/552394938.db2.gz VUHCXVZINJYBPT-LOSJGSFVSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622070 552394962 /nfs/dbraw/zinc/39/49/62/552394962.db2.gz VUHCXVZINJYBPT-JWQCQUIFSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3OC)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622099 552394906 /nfs/dbraw/zinc/39/49/06/552394906.db2.gz QBFLTKWNLQQXSC-DQEYMECFSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(Cl)ccc3OC)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622102 552394959 /nfs/dbraw/zinc/39/49/59/552394959.db2.gz QBFLTKWNLQQXSC-RPBOFIJWSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3OC)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622104 552394886 /nfs/dbraw/zinc/39/48/86/552394886.db2.gz QBFLTKWNLQQXSC-LOSJGSFVSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(Cl)ccc3OC)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003622107 552394922 /nfs/dbraw/zinc/39/49/22/552394922.db2.gz QBFLTKWNLQQXSC-JWQCQUIFSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc(NC(=O)c2sc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3c2N)cc1OC ZINC000003624168 552395067 /nfs/dbraw/zinc/39/50/67/552395067.db2.gz VOHYDRJUCXGIOH-UHFFFAOYSA-N 0 0 528.612 4.666 50 0 KJAARN COc1cc(NC(=O)c2sc3sc(C(=O)Nc4cc(OC)cc(OC)c4)c(N)c3c2N)cc(OC)c1 ZINC000003624170 552395047 /nfs/dbraw/zinc/39/50/47/552395047.db2.gz IUCMCIAYSKKQDI-UHFFFAOYSA-N 0 0 528.612 4.666 50 0 KJAARN COc1cc(NC(=O)c2sc3sc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c(N)c3c2N)cc(OC)c1OC ZINC000003624172 552395025 /nfs/dbraw/zinc/39/50/25/552395025.db2.gz NATCOVFLSSPZDI-UHFFFAOYSA-N 0 0 588.664 4.683 50 0 KJAARN COc1ccc(OC)c(NC(=O)CSC2=N/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)N2c2ccccc2)c1 ZINC000003625126 552395342 /nfs/dbraw/zinc/39/53/42/552395342.db2.gz VRPHDFZQZOPESG-LPYMAVHISA-N 0 0 563.632 4.845 50 0 KJAARN Cc1c(N(C(=O)c2ccccn2)C2(C(=O)NC3CCCCC3)CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000003626026 552395646 /nfs/dbraw/zinc/39/56/46/552395646.db2.gz NQDNFHOWIFXHPQ-UHFFFAOYSA-N 0 0 515.658 4.678 50 0 KJAARN Cc1[nH]c2ccccc2c1CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl ZINC000003626691 552395658 /nfs/dbraw/zinc/39/56/58/552395658.db2.gz YTJOOUMSAPIICF-OYKKKHCWSA-N 0 0 501.970 4.988 50 0 KJAARN COc1ccc(/C=C(\NC(=O)c2ccc(Br)o2)C(=O)NCCc2c(C)[nH]c3ccccc32)cc1 ZINC000003626736 552395587 /nfs/dbraw/zinc/39/55/87/552395587.db2.gz ZVJXCLACXDLZTA-JCMHNJIXSA-N 0 0 522.399 4.970 50 0 KJAARN CN(C[C@@H](CC(=O)Nc1nnc(Cc2ccccc2)s1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000003627826 552396221 /nfs/dbraw/zinc/39/62/21/552396221.db2.gz CYSBVOHUDPXHLE-JOCHJYFZSA-N 0 0 506.653 4.562 50 0 KJAARN CN(C[C@H](CC(=O)Nc1nnc(Cc2ccccc2)s1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000003627832 552396188 /nfs/dbraw/zinc/39/61/88/552396188.db2.gz CYSBVOHUDPXHLE-QFIPXVFZSA-N 0 0 506.653 4.562 50 0 KJAARN COc1ccc(OC)c(NC(=O)c2cc3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3n2)c1 ZINC000003629342 552396308 /nfs/dbraw/zinc/39/63/08/552396308.db2.gz JMCCTKMHQNKTEP-UHFFFAOYSA-N 0 0 502.449 4.702 50 0 KJAARN COc1ccc(NC(=O)c2cc3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000003629344 552396341 /nfs/dbraw/zinc/39/63/41/552396341.db2.gz HBUAMJAGQJWUJY-UHFFFAOYSA-N 0 0 502.449 4.702 50 0 KJAARN O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CCN(c2ccccc2Cl)CC1 ZINC000003629408 552396345 /nfs/dbraw/zinc/39/63/45/552396345.db2.gz PYGWIJFXABBUPC-UHFFFAOYSA-N 0 0 529.906 4.760 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCc5cc(O)c(OC)cc5[C@@H]4C)cc3n2)cc1 ZINC000003629611 552396771 /nfs/dbraw/zinc/39/67/71/552396771.db2.gz SMKJKHGYUTWVKK-AWEZNQCLSA-N 0 0 512.488 4.897 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCc5cc(O)c(OC)cc5[C@H]4C)cc3n2)cc1 ZINC000003629612 552396814 /nfs/dbraw/zinc/39/68/14/552396814.db2.gz SMKJKHGYUTWVKK-CQSZACIVSA-N 0 0 512.488 4.897 50 0 KJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000003629624 552396738 /nfs/dbraw/zinc/39/67/38/552396738.db2.gz FXLNYFVQNWGXQP-UHFFFAOYSA-N 0 0 512.444 4.549 50 0 KJAARN COC(=O)c1cc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc(C(=O)OC)c1 ZINC000003629643 552396807 /nfs/dbraw/zinc/39/68/07/552396807.db2.gz CHVQEVUBKVOEAY-UHFFFAOYSA-N 0 0 512.444 4.549 50 0 KJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000003629682 552396810 /nfs/dbraw/zinc/39/68/10/552396810.db2.gz LLZRRQXDQFOZHS-UHFFFAOYSA-N 0 0 532.862 4.894 50 0 KJAARN COC(=O)c1cc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc(C(=O)OC)c1 ZINC000003629703 552396808 /nfs/dbraw/zinc/39/68/08/552396808.db2.gz BYZRUFKJULKWBS-UHFFFAOYSA-N 0 0 532.862 4.894 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2cc3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3n2)nc1C ZINC000003629775 552396815 /nfs/dbraw/zinc/39/68/15/552396815.db2.gz GVLRCWYOKZQVOX-UHFFFAOYSA-N 0 0 535.504 4.626 50 0 KJAARN O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003629829 552396964 /nfs/dbraw/zinc/39/69/64/552396964.db2.gz KFOMEPLRIVILTK-UHFFFAOYSA-N 0 0 529.906 4.760 50 0 KJAARN CCOC(=O)CSc1nc2c(sc(=S)n2CCc2ccccc2)c(=O)n1-c1ccccc1OC ZINC000003629912 552396970 /nfs/dbraw/zinc/39/69/70/552396970.db2.gz HKKCGVVWANDGDR-UHFFFAOYSA-N 0 0 513.666 4.885 50 0 KJAARN CCOC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2OC)c(=O)n1-c1ccccc1OC ZINC000003629915 552396905 /nfs/dbraw/zinc/39/69/05/552396905.db2.gz GWQWTVTYUPVVKD-UHFFFAOYSA-N 0 0 515.638 4.640 50 0 KJAARN COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2cccc(C(F)(F)F)c2)c3=O)cc1OC ZINC000003630259 552397308 /nfs/dbraw/zinc/39/73/08/552397308.db2.gz UUKFXEQPJPBHNI-UHFFFAOYSA-N 0 0 501.486 4.963 50 0 KJAARN CCOc1ccccc1N(C)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003630710 552397399 /nfs/dbraw/zinc/39/73/99/552397399.db2.gz ZEFMAXIAPCHBJN-SVBPBHIXSA-N 0 0 504.583 4.685 50 0 KJAARN CCOc1ccccc1N(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003630711 552397503 /nfs/dbraw/zinc/39/75/03/552397503.db2.gz ZEFMAXIAPCHBJN-SXOMAYOGSA-N 0 0 504.583 4.685 50 0 KJAARN CCOc1ccccc1N(C)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003630714 552397487 /nfs/dbraw/zinc/39/74/87/552397487.db2.gz ZEFMAXIAPCHBJN-RRPNLBNLSA-N 0 0 504.583 4.685 50 0 KJAARN CCOc1ccccc1N(C)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003630715 552397474 /nfs/dbraw/zinc/39/74/74/552397474.db2.gz ZEFMAXIAPCHBJN-KAYWLYCHSA-N 0 0 504.583 4.685 50 0 KJAARN COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2cccc(C(F)(F)F)c2)c3=O)c(OC)c1 ZINC000003632077 552397413 /nfs/dbraw/zinc/39/74/13/552397413.db2.gz BMRSHVDQCWGXRS-UHFFFAOYSA-N 0 0 501.486 4.963 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]c2=S)cc1OC ZINC000003632149 552397689 /nfs/dbraw/zinc/39/76/89/552397689.db2.gz ANCRLIJAAUGYCX-UHFFFAOYSA-N 0 0 501.486 4.963 50 0 KJAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1cccc(C(F)(F)F)c1 ZINC000003632420 552397987 /nfs/dbraw/zinc/39/79/87/552397987.db2.gz BLHHXYMHQTXPFN-UHFFFAOYSA-N 0 0 567.593 4.906 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2cccs2)n1-c1cccc(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000003632497 552397976 /nfs/dbraw/zinc/39/79/76/552397976.db2.gz VAGWXFYOIAOAQQ-UHFFFAOYSA-N 0 0 543.596 4.959 50 0 KJAARN COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cc(C)ccc2C)cc(OC)c1OC ZINC000003632509 552397983 /nfs/dbraw/zinc/39/79/83/552397983.db2.gz NGVUQXGWEKGJTJ-UHFFFAOYSA-N 0 0 587.702 4.521 50 0 KJAARN Cc1ccc(C)c(-n2c(CNC(=O)c3cccs3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000003632520 552398241 /nfs/dbraw/zinc/39/82/41/552398241.db2.gz UXOWUZTUDKFKGU-UHFFFAOYSA-N 0 0 503.653 4.557 50 0 KJAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000003632563 552398227 /nfs/dbraw/zinc/39/82/27/552398227.db2.gz PTOSUWORJQZTEH-UHFFFAOYSA-N 0 0 567.593 4.906 50 0 KJAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cc(C)ccc2C)c1 ZINC000003632568 552398235 /nfs/dbraw/zinc/39/82/35/552398235.db2.gz KVJUVRKPYVQVNH-UHFFFAOYSA-N 0 0 527.650 4.504 50 0 KJAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cc(C)ccc2C)c1 ZINC000003632582 552398239 /nfs/dbraw/zinc/39/82/39/552398239.db2.gz GFGWETBFXYPSTD-UHFFFAOYSA-N 0 0 557.676 4.513 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000003632596 552398540 /nfs/dbraw/zinc/39/85/40/552398540.db2.gz NXYNEIHNBCIFIO-UHFFFAOYSA-N 0 0 597.619 4.915 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cc(C)ccc2C)cc1OC ZINC000003632602 552398537 /nfs/dbraw/zinc/39/85/37/552398537.db2.gz RJYXFNUIXJNVPX-UHFFFAOYSA-N 0 0 557.676 4.513 50 0 KJAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000003632611 552398501 /nfs/dbraw/zinc/39/85/01/552398501.db2.gz HUHJGOPJEQVBKL-UHFFFAOYSA-N 0 0 581.620 4.835 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000003632677 552398560 /nfs/dbraw/zinc/39/85/60/552398560.db2.gz UBPZXHKYYOAYQK-UHFFFAOYSA-N 0 0 519.480 4.679 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000003632680 552398488 /nfs/dbraw/zinc/39/84/88/552398488.db2.gz YPZVKICKRQRVQF-UHFFFAOYSA-N 0 0 531.516 4.549 50 0 KJAARN Cc1ccc(C)c(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nc3ccccc3s2)c1 ZINC000003632694 552398508 /nfs/dbraw/zinc/39/85/08/552398508.db2.gz IDMGPRCDDWFTRF-UHFFFAOYSA-N 0 0 518.624 4.748 50 0 KJAARN CCOc1ccc(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000003632731 552398521 /nfs/dbraw/zinc/39/85/21/552398521.db2.gz HANPFMQMQGQZBG-UHFFFAOYSA-N 0 0 505.600 4.537 50 0 KJAARN CCOc1ccc(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000003632733 552398447 /nfs/dbraw/zinc/39/84/47/552398447.db2.gz NILQKJWCTOSPQR-UHFFFAOYSA-N 0 0 534.623 4.530 50 0 KJAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)N1CCCc2ccccc21 ZINC000003632749 552398740 /nfs/dbraw/zinc/39/87/40/552398740.db2.gz FLYDNALVWNQDLH-UHFFFAOYSA-N 0 0 514.470 4.715 50 0 KJAARN CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)cc1 ZINC000003632753 552398692 /nfs/dbraw/zinc/39/86/92/552398692.db2.gz OUGYHCUYVGCSIO-UHFFFAOYSA-N 0 0 518.458 4.773 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)cc1 ZINC000003632755 552398736 /nfs/dbraw/zinc/39/87/36/552398736.db2.gz ISDLUAWJYPYBLQ-UHFFFAOYSA-N 0 0 546.468 4.551 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2cccc(C(F)(F)F)c2)SCC3)c(OC)c1 ZINC000003632766 552398691 /nfs/dbraw/zinc/39/86/91/552398691.db2.gz KZJBYEBFLJOQSL-UHFFFAOYSA-N 0 0 523.558 4.648 50 0 KJAARN COc1ccc(OC)c(-n2c(=O)c3c(nc2SCC(=O)Nc2ccccc2C(F)(F)F)CCS3)c1 ZINC000003632788 552398760 /nfs/dbraw/zinc/39/87/60/552398760.db2.gz AMOABIJCCNFGCT-UHFFFAOYSA-N 0 0 523.558 4.648 50 0 KJAARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](CC)C(=O)N32)ccc1OC(C)=O ZINC000003636859 552399099 /nfs/dbraw/zinc/39/90/99/552399099.db2.gz YUUUGQDDLBJLBM-UPVQGACJSA-N 0 0 508.596 4.793 50 0 KJAARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@H](CC)C(=O)N32)ccc1OC(C)=O ZINC000003636861 552399111 /nfs/dbraw/zinc/39/91/11/552399111.db2.gz YUUUGQDDLBJLBM-VWNXMTODSA-N 0 0 508.596 4.793 50 0 KJAARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](CC)C(=O)N32)ccc1OC(C)=O ZINC000003636863 552399124 /nfs/dbraw/zinc/39/91/24/552399124.db2.gz YUUUGQDDLBJLBM-LADGPHEKSA-N 0 0 508.596 4.793 50 0 KJAARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@H](CC)C(=O)N32)ccc1OC(C)=O ZINC000003636866 552399131 /nfs/dbraw/zinc/39/91/31/552399131.db2.gz YUUUGQDDLBJLBM-ISKFKSNPSA-N 0 0 508.596 4.793 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1OC ZINC000003637379 552399025 /nfs/dbraw/zinc/39/90/25/552399025.db2.gz XKKOZBHJEZBHOR-XYGWBWBKSA-N 0 0 521.602 4.544 50 0 KJAARN COc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)c(=O)n2n1 ZINC000003637434 552399088 /nfs/dbraw/zinc/39/90/88/552399088.db2.gz WEASEGIMEOSBIU-JXYIUTTOSA-N 0 0 533.613 4.550 50 0 KJAARN COc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)c(=O)n2n1 ZINC000003637437 552399238 /nfs/dbraw/zinc/39/92/38/552399238.db2.gz WEASEGIMEOSBIU-FELJGRNJSA-N 0 0 533.613 4.550 50 0 KJAARN COc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(C)c(F)c4)c(=O)n3n2)cc1OC ZINC000003637589 552399240 /nfs/dbraw/zinc/39/92/40/552399240.db2.gz HXSOBRQHGRQUQJ-MYYYXRDXSA-N 0 0 539.592 4.683 50 0 KJAARN C[C@H](Oc1ccccc1F)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC000003640194 552399822 /nfs/dbraw/zinc/39/98/22/552399822.db2.gz PSVVJWUFKPJCLW-KRWDZBQOSA-N 0 0 503.621 4.920 50 0 KJAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC000003640196 552399861 /nfs/dbraw/zinc/39/98/61/552399861.db2.gz PSVVJWUFKPJCLW-QGZVFWFLSA-N 0 0 503.621 4.920 50 0 KJAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC000003640198 552399878 /nfs/dbraw/zinc/39/98/78/552399878.db2.gz UODGUHJYIKKKDX-KRWDZBQOSA-N 0 0 503.621 4.920 50 0 KJAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC000003640201 552399875 /nfs/dbraw/zinc/39/98/75/552399875.db2.gz UODGUHJYIKKKDX-QGZVFWFLSA-N 0 0 503.621 4.920 50 0 KJAARN COc1ccc(Br)cc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2SCCC(=O)N21 ZINC000003640244 552399899 /nfs/dbraw/zinc/39/98/99/552399899.db2.gz JFYIDELXKIDBFX-NRFANRHFSA-N 0 0 501.402 4.851 50 0 KJAARN O=S(=O)(Nc1cccc(O)c1)c1ccc2oc3ccc(S(=O)(=O)Nc4cccc(O)c4)cc3c2c1 ZINC000003640355 552399910 /nfs/dbraw/zinc/39/99/10/552399910.db2.gz YCCPLBUJZHPUIB-UHFFFAOYSA-N 0 0 510.549 4.599 50 0 KJAARN Cc1ccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCCCC4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000003641731 552399881 /nfs/dbraw/zinc/39/98/81/552399881.db2.gz JLKPDKXSKORKKC-GHTZIAJQSA-N 0 0 551.738 4.994 50 0 KJAARN O=C(Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)C(O)(c1ccccc1)c1ccccc1 ZINC000003642858 552400150 /nfs/dbraw/zinc/40/01/50/552400150.db2.gz GPEZOIHBEBWVOY-UHFFFAOYSA-N 0 0 509.581 4.663 50 0 KJAARN O=C(Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1)C(O)(c1ccccc1)c1ccccc1 ZINC000003642860 552400173 /nfs/dbraw/zinc/40/01/73/552400173.db2.gz ZYVZQNPTRMKSAP-UHFFFAOYSA-N 0 0 509.581 4.663 50 0 KJAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(OC)c1OC ZINC000003643207 552400154 /nfs/dbraw/zinc/40/01/54/552400154.db2.gz UCKGEJWMAPJGPX-FQEVSTJZSA-N 0 0 506.536 4.536 50 0 KJAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(OC)c1OC ZINC000003643208 552400117 /nfs/dbraw/zinc/40/01/17/552400117.db2.gz UCKGEJWMAPJGPX-HXUWFJFHSA-N 0 0 506.536 4.536 50 0 KJAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Br)c2)nc1C ZINC000003643245 552400106 /nfs/dbraw/zinc/40/01/06/552400106.db2.gz IIMZNIPQZNMTBE-KRWDZBQOSA-N 0 0 511.353 4.857 50 0 KJAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Br)c2)nc1C ZINC000003643248 552400188 /nfs/dbraw/zinc/40/01/88/552400188.db2.gz IIMZNIPQZNMTBE-QGZVFWFLSA-N 0 0 511.353 4.857 50 0 KJAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Br)cc2)nc1C ZINC000003643251 552400111 /nfs/dbraw/zinc/40/01/11/552400111.db2.gz DVIIFVRIPNZHSR-KRWDZBQOSA-N 0 0 511.353 4.857 50 0 KJAARN COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Br)cc2)nc1C ZINC000003643253 552400169 /nfs/dbraw/zinc/40/01/69/552400169.db2.gz DVIIFVRIPNZHSR-QGZVFWFLSA-N 0 0 511.353 4.857 50 0 KJAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000003643365 552400399 /nfs/dbraw/zinc/40/03/99/552400399.db2.gz WUIKDXVBMXZRDR-NRFANRHFSA-N 0 0 520.563 4.892 50 0 KJAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000003643368 552400404 /nfs/dbraw/zinc/40/04/04/552400404.db2.gz WUIKDXVBMXZRDR-OAQYLSRUSA-N 0 0 520.563 4.892 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000003643403 552400382 /nfs/dbraw/zinc/40/03/82/552400382.db2.gz WZFWCGZXHXLFSX-NRFANRHFSA-N 0 0 520.563 4.892 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000003643406 552400442 /nfs/dbraw/zinc/40/04/42/552400442.db2.gz WZFWCGZXHXLFSX-OAQYLSRUSA-N 0 0 520.563 4.892 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000003643412 552400411 /nfs/dbraw/zinc/40/04/11/552400411.db2.gz PHNYPTBFLNTHQF-FQEVSTJZSA-N 0 0 506.536 4.502 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000003643415 552400393 /nfs/dbraw/zinc/40/03/93/552400393.db2.gz PHNYPTBFLNTHQF-HXUWFJFHSA-N 0 0 506.536 4.502 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000003643422 552400430 /nfs/dbraw/zinc/40/04/30/552400430.db2.gz ZOWAOVSMUDAQAK-FQEVSTJZSA-N 0 0 506.536 4.589 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000003643424 552400409 /nfs/dbraw/zinc/40/04/09/552400409.db2.gz ZOWAOVSMUDAQAK-HXUWFJFHSA-N 0 0 506.536 4.589 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000003643426 552400709 /nfs/dbraw/zinc/40/07/09/552400709.db2.gz RMIJZOOCAFEUTC-FQEVSTJZSA-N 0 0 536.562 4.510 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000003643428 552400720 /nfs/dbraw/zinc/40/07/20/552400720.db2.gz RMIJZOOCAFEUTC-HXUWFJFHSA-N 0 0 536.562 4.510 50 0 KJAARN CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 ZINC000003644549 552401481 /nfs/dbraw/zinc/40/14/81/552401481.db2.gz IXJNZIFVLNEMQT-HSZRJFAPSA-N 0 0 538.691 4.866 50 0 KJAARN CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 ZINC000003644551 552401427 /nfs/dbraw/zinc/40/14/27/552401427.db2.gz IXJNZIFVLNEMQT-QHCPKHFHSA-N 0 0 538.691 4.866 50 0 KJAARN CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)cc2)sc2c1CCCC2 ZINC000003644553 552401489 /nfs/dbraw/zinc/40/14/89/552401489.db2.gz XGNMVXVZKGMVQY-HSZRJFAPSA-N 0 0 554.690 4.567 50 0 KJAARN CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)cc2)sc2c1CCCC2 ZINC000003644555 552401458 /nfs/dbraw/zinc/40/14/58/552401458.db2.gz XGNMVXVZKGMVQY-QHCPKHFHSA-N 0 0 554.690 4.567 50 0 KJAARN CCSc1nnc2c(n1)O[C@@]1(Nc3ccc(Br)cc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000003645293 552401633 /nfs/dbraw/zinc/40/16/33/552401633.db2.gz OLDWXKDCEWHQKL-LJQANCHMSA-N 0 0 535.221 4.785 50 0 biogenic KJAARN CCSc1nnc2c(n1)O[C@]1(Nc3ccc(Br)cc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000003645294 552401603 /nfs/dbraw/zinc/40/16/03/552401603.db2.gz OLDWXKDCEWHQKL-IBGZPJMESA-N 0 0 535.221 4.785 50 0 biogenic KJAARN O=c1c2cc(NC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2nc2n1CCCCC2 ZINC000003645957 552401598 /nfs/dbraw/zinc/40/15/98/552401598.db2.gz KJUONEXHKODECD-UHFFFAOYSA-N 0 0 501.578 4.661 50 0 KJAARN Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)Cc3ccccc3Br)cc12 ZINC000003650081 552401576 /nfs/dbraw/zinc/40/15/76/552401576.db2.gz FVJOVYRGRZTSCT-UHFFFAOYSA-N 0 0 517.431 4.604 50 0 KJAARN Cc1sc2ncn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000003650556 552402211 /nfs/dbraw/zinc/40/22/11/552402211.db2.gz DIDSCCJSQOYZLT-UHFFFAOYSA-N 0 0 552.678 4.618 50 0 KJAARN COc1cc(CN(C2=NS(=O)(=O)c3ccccc32)c2ccc(C)cc2)ccc1OC(=O)c1cccnc1 ZINC000003651210 552402803 /nfs/dbraw/zinc/40/28/03/552402803.db2.gz LLNGGVGYEYSHEL-UHFFFAOYSA-N 0 0 513.575 4.774 50 0 KJAARN Cc1ccccc1C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000003653718 552402847 /nfs/dbraw/zinc/40/28/47/552402847.db2.gz HXDNKKZPBIDVPM-UHFFFAOYSA-N 0 0 504.383 4.961 50 0 KJAARN COc1ccc(S(=O)(=O)N(C(=O)c2ccc(Cl)cc2)c2ccc3oc(=O)sc3c2)cc1OC ZINC000003653829 552402785 /nfs/dbraw/zinc/40/27/85/552402785.db2.gz BPUSAGJPHUIZQV-UHFFFAOYSA-N 0 0 505.957 4.561 50 0 KJAARN COc1ccc(S(=O)(=O)N(C(=O)c2ccccc2Cl)c2ccc3oc(=O)sc3c2)cc1OC ZINC000003654165 552403259 /nfs/dbraw/zinc/40/32/59/552403259.db2.gz AYGYFKHRXPTTPU-UHFFFAOYSA-N 0 0 505.957 4.561 50 0 KJAARN COc1ccc(C(=O)N(c2ccc3oc(=O)sc3c2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003654302 552403270 /nfs/dbraw/zinc/40/32/70/552403270.db2.gz VKWIGCYHBGRXNE-UHFFFAOYSA-N 0 0 520.382 4.661 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000003655002 552403304 /nfs/dbraw/zinc/40/33/04/552403304.db2.gz DPAYJYXXYKGNBL-UHFFFAOYSA-N 0 0 505.927 4.688 50 0 aggregator KJAARN O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003655003 552403310 /nfs/dbraw/zinc/40/33/10/552403310.db2.gz HGZSAKRVCSECEJ-UHFFFAOYSA-N 0 0 525.452 4.925 50 0 aggregator KJAARN O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(Br)cc1 ZINC000003655004 552403283 /nfs/dbraw/zinc/40/32/83/552403283.db2.gz MDGXWVLZIHZDCE-UHFFFAOYSA-N 0 0 520.352 4.789 50 0 KJAARN Cc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)n(-c2ccccc2)n1 ZINC000003655007 552403277 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552403458 /nfs/dbraw/zinc/40/34/58/552403458.db2.gz AOOFMIMGFMRZNF-UHFFFAOYSA-N 0 0 585.582 4.549 50 0 KJAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000003655038 552403480 /nfs/dbraw/zinc/40/34/80/552403480.db2.gz JZRQZDPELCWWPN-UHFFFAOYSA-N 0 0 587.580 4.555 50 0 KJAARN COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2cc(Br)ccc2O)n1 ZINC000003655047 552403445 /nfs/dbraw/zinc/40/34/45/552403445.db2.gz UAIUBZPSICDHER-UHFFFAOYSA-N 0 0 574.375 4.832 50 0 KJAARN COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2ccc(F)cc2F)n1 ZINC000003655050 552403410 /nfs/dbraw/zinc/40/34/10/552403410.db2.gz DCLDCBQXWICYGU-UHFFFAOYSA-N 0 0 515.460 4.642 50 0 KJAARN COC(=O)c1c2c(sc1NC(=O)CCCS(=O)(=O)c1nc(-c3ccccc3OC)cc(C(F)(F)F)n1)CCC2 ZINC000003655067 552403774 /nfs/dbraw/zinc/40/37/74/552403774.db2.gz BDDLPCAEMPMDRE-UHFFFAOYSA-N 0 0 583.610 4.700 50 0 KJAARN COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)n1 ZINC000003655069 552403795 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HTEBQAZMVFTJNO-UHFFFAOYSA-N 0 0 520.545 4.555 50 0 KJAARN CCOc1ccc(-n2cc(C(=O)Nc3ccc(OC)cc3OC)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660434 552405797 /nfs/dbraw/zinc/40/57/97/552405797.db2.gz GIWWVSKYVGKSJG-UHFFFAOYSA-N 0 0 504.539 4.676 50 0 KJAARN CCOc1ccc(-n2cc(C(=O)Nc3ccc(OC)c(OC)c3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660436 552405740 /nfs/dbraw/zinc/40/57/40/552405740.db2.gz GJKCEUSDLNZPFA-UHFFFAOYSA-N 0 0 504.539 4.676 50 0 KJAARN CCOc1ccc(-n2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660443 552405792 /nfs/dbraw/zinc/40/57/92/552405792.db2.gz BDACQRGUELNUOR-UHFFFAOYSA-N 0 0 534.565 4.685 50 0 KJAARN CCOc1ccc(-n2cc(C(=O)N3CCN(c4ccccc4F)CC3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660456 552405729 /nfs/dbraw/zinc/40/57/29/552405729.db2.gz HZKRMDAUMXKRII-UHFFFAOYSA-N 0 0 531.584 4.508 50 0 KJAARN CCOc1ccc(-n2cc(C(=O)Nc3cc(OC)ccc3OC)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660481 552405757 /nfs/dbraw/zinc/40/57/57/552405757.db2.gz RHSROXOHZDJXMA-UHFFFAOYSA-N 0 0 504.539 4.676 50 0 KJAARN CCOc1ccc(-n2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660490 552405735 /nfs/dbraw/zinc/40/57/35/552405735.db2.gz UARIJWITVFVUQW-UHFFFAOYSA-N 0 0 531.584 4.508 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(OCC)cc2)c(=O)c2cc(OC)c(OC)cc12 ZINC000003660493 552405732 /nfs/dbraw/zinc/40/57/32/552405732.db2.gz CMLOZJJPOQWODZ-UHFFFAOYSA-N 0 0 516.550 4.836 50 0 KJAARN COc1ccc2nc(NC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000003661027 552406110 /nfs/dbraw/zinc/40/61/10/552406110.db2.gz GUIYGOFWHKSPIN-ZEQRLZLVSA-N 0 0 503.580 4.871 50 0 KJAARN COc1ccc2nc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000003661028 552406130 /nfs/dbraw/zinc/40/61/30/552406130.db2.gz GUIYGOFWHKSPIN-RPWUZVMVSA-N 0 0 503.580 4.871 50 0 KJAARN COc1ccc2nc(NC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000003661029 552406114 /nfs/dbraw/zinc/40/61/14/552406114.db2.gz GUIYGOFWHKSPIN-BJKOFHAPSA-N 0 0 503.580 4.871 50 0 KJAARN COc1ccc2nc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000003661030 552406120 /nfs/dbraw/zinc/40/61/20/552406120.db2.gz GUIYGOFWHKSPIN-DNQXCXABSA-N 0 0 503.580 4.871 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003661063 552406139 /nfs/dbraw/zinc/40/61/39/552406139.db2.gz XYOSDAOXFUOESJ-DQEYMECFSA-N 0 0 510.974 4.924 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003661064 552406116 /nfs/dbraw/zinc/40/61/16/552406116.db2.gz XYOSDAOXFUOESJ-RPBOFIJWSA-N 0 0 510.974 4.924 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003661065 552406129 /nfs/dbraw/zinc/40/61/29/552406129.db2.gz XYOSDAOXFUOESJ-LOSJGSFVSA-N 0 0 510.974 4.924 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000003661066 552406148 /nfs/dbraw/zinc/40/61/48/552406148.db2.gz XYOSDAOXFUOESJ-JWQCQUIFSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661083 552406152 /nfs/dbraw/zinc/40/61/52/552406152.db2.gz MHVLMBHWBKHUQE-SVBPBHIXSA-N 0 0 520.029 4.617 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661084 552406105 /nfs/dbraw/zinc/40/61/05/552406105.db2.gz MHVLMBHWBKHUQE-SXOMAYOGSA-N 0 0 520.029 4.617 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661085 552406150 /nfs/dbraw/zinc/40/61/50/552406150.db2.gz MHVLMBHWBKHUQE-RRPNLBNLSA-N 0 0 520.029 4.617 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661086 552406108 /nfs/dbraw/zinc/40/61/08/552406108.db2.gz MHVLMBHWBKHUQE-KAYWLYCHSA-N 0 0 520.029 4.617 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661452 552407336 /nfs/dbraw/zinc/40/73/36/552407336.db2.gz JHJGAFFCMFYIAF-NSOVKSMOSA-N 0 0 530.596 4.681 50 0 biogenic KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661453 552407371 /nfs/dbraw/zinc/40/73/71/552407371.db2.gz JHJGAFFCMFYIAF-WUFINQPMSA-N 0 0 530.596 4.681 50 0 biogenic KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661454 552407382 /nfs/dbraw/zinc/40/73/82/552407382.db2.gz JHJGAFFCMFYIAF-IZLXSDGUSA-N 0 0 530.596 4.681 50 0 biogenic KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661455 552407368 /nfs/dbraw/zinc/40/73/68/552407368.db2.gz JHJGAFFCMFYIAF-VSGBNLITSA-N 0 0 530.596 4.681 50 0 biogenic KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000003663846 552408073 /nfs/dbraw/zinc/40/80/73/552408073.db2.gz QHDGHTHEZZQERM-FCKOQQNDSA-N 0 0 596.446 4.663 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000003663848 552408080 /nfs/dbraw/zinc/40/80/80/552408080.db2.gz QHDGHTHEZZQERM-DLBLZJNESA-N 0 0 596.446 4.663 50 0 KJAARN O=C(Nc1ccc(I)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000003664945 552408708 /nfs/dbraw/zinc/40/87/08/552408708.db2.gz GHANYJPHBFBLJY-UHFFFAOYSA-N 0 0 518.804 4.762 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)cc1 ZINC000003667541 552409784 /nfs/dbraw/zinc/40/97/84/552409784.db2.gz HBNVETAEONDVSX-UHFFFAOYSA-N 0 0 503.561 4.614 50 0 KJAARN Cc1c(NC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000003668178 552409740 /nfs/dbraw/zinc/40/97/40/552409740.db2.gz XCDQMBJWTPRNFF-UHFFFAOYSA-N 0 0 555.641 4.626 50 0 KJAARN O=C(CSc1nc2ccccc2s1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 ZINC000003668805 552410176 /nfs/dbraw/zinc/41/01/76/552410176.db2.gz UUNUDHSFGBWFNF-UHFFFAOYSA-N 0 0 516.695 4.588 50 0 KJAARN Cc1ccccc1C(=O)NN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000003669536 552410683 /nfs/dbraw/zinc/41/06/83/552410683.db2.gz TYKPUPVOQNFYBG-ITYMFSOSSA-N 0 0 566.249 4.545 50 0 KJAARN Cc1ccccc1C(=O)NN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000003669537 552410653 /nfs/dbraw/zinc/41/06/53/552410653.db2.gz TYKPUPVOQNFYBG-JGSRLKPESA-N 0 0 566.249 4.545 50 0 KJAARN Cc1ccccc1C(=O)NN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000003669539 552410696 /nfs/dbraw/zinc/41/06/96/552410696.db2.gz TYKPUPVOQNFYBG-QJMPUOCTSA-N 0 0 566.249 4.545 50 0 KJAARN O=S(=O)(c1ccc(-c2cs/c(=N/c3ccc(OC(F)(F)F)cc3)n2CCCO)cc1)N1CCCC1 ZINC000003669807 552410895 /nfs/dbraw/zinc/41/08/95/552410895.db2.gz CKFVXXRBUFJXGU-HPNDGRJYSA-N 0 0 527.590 4.515 50 0 KJAARN COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCc2ccccc2Cl)c(OC)c1 ZINC000003670414 552411234 /nfs/dbraw/zinc/41/12/34/552411234.db2.gz USGKILUCZSOLBQ-XMMPIXPASA-N 0 0 546.805 4.633 50 0 KJAARN COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCc2ccccc2Cl)c(OC)c1 ZINC000003670415 552411190 /nfs/dbraw/zinc/41/11/90/552411190.db2.gz USGKILUCZSOLBQ-DEOSSOPVSA-N 0 0 546.805 4.633 50 0 KJAARN O=C(NCCc1ccc(Cl)cc1)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1c(F)cccc1F ZINC000003670420 552411200 /nfs/dbraw/zinc/41/12/00/552411200.db2.gz QEWYAEJBIBDXIN-HSZRJFAPSA-N 0 0 536.760 4.937 50 0 KJAARN O=C(NCCc1ccc(Cl)cc1)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1c(F)cccc1F ZINC000003670421 552411224 /nfs/dbraw/zinc/41/12/24/552411224.db2.gz QEWYAEJBIBDXIN-QHCPKHFHSA-N 0 0 536.760 4.937 50 0 KJAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC2CCCCCCC2)c1 ZINC000003670424 552411215 /nfs/dbraw/zinc/41/12/15/552411215.db2.gz OGCQVUQSUJIRSS-XMMPIXPASA-N 0 0 502.409 4.884 50 0 KJAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC2CCCCCCC2)c1 ZINC000003670425 552411213 /nfs/dbraw/zinc/41/12/13/552411213.db2.gz OGCQVUQSUJIRSS-DEOSSOPVSA-N 0 0 502.409 4.884 50 0 KJAARN CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000003670448 552411177 /nfs/dbraw/zinc/41/11/77/552411177.db2.gz SPTWXZHACMABLC-RUZDIDTESA-N 0 0 510.388 4.534 50 0 KJAARN CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000003670449 552411199 /nfs/dbraw/zinc/41/11/99/552411199.db2.gz SPTWXZHACMABLC-VWLOTQADSA-N 0 0 510.388 4.534 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000003670452 552411227 /nfs/dbraw/zinc/41/12/27/552411227.db2.gz CQMMSXQWOAUXKN-QHCPKHFHSA-N 0 0 516.779 4.625 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000003670453 552411387 /nfs/dbraw/zinc/41/13/87/552411387.db2.gz CQMMSXQWOAUXKN-HSZRJFAPSA-N 0 0 516.779 4.625 50 0 KJAARN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCc2ccc(C)cc2)cc1 ZINC000003670456 552411415 /nfs/dbraw/zinc/41/14/15/552411415.db2.gz JHAXKDKAPSJRGF-RUZDIDTESA-N 0 0 510.388 4.670 50 0 KJAARN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCc2ccc(C)cc2)cc1 ZINC000003670457 552411478 /nfs/dbraw/zinc/41/14/78/552411478.db2.gz JHAXKDKAPSJRGF-VWLOTQADSA-N 0 0 510.388 4.670 50 0 KJAARN Cc1ccc(CNC(=O)[C@@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000003670464 552411447 /nfs/dbraw/zinc/41/14/47/552411447.db2.gz LWVVULXHDMIQBW-QHCPKHFHSA-N 0 0 500.780 4.925 50 0 KJAARN Cc1ccc(CNC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000003670465 552411396 /nfs/dbraw/zinc/41/13/96/552411396.db2.gz LWVVULXHDMIQBW-HSZRJFAPSA-N 0 0 500.780 4.925 50 0 KJAARN COc1ccccc1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670500 552411475 /nfs/dbraw/zinc/41/14/75/552411475.db2.gz JDFYLVCYUAVLKH-QHCPKHFHSA-N 0 0 516.779 4.625 50 0 KJAARN COc1ccccc1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670501 552411407 /nfs/dbraw/zinc/41/14/07/552411407.db2.gz JDFYLVCYUAVLKH-HSZRJFAPSA-N 0 0 516.779 4.625 50 0 KJAARN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000003670502 552411440 /nfs/dbraw/zinc/41/14/40/552411440.db2.gz LBKONJDNAAZHFU-XMMPIXPASA-N 0 0 514.351 4.501 50 0 KJAARN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000003670503 552411436 /nfs/dbraw/zinc/41/14/36/552411436.db2.gz LBKONJDNAAZHFU-DEOSSOPVSA-N 0 0 514.351 4.501 50 0 KJAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000003670512 552411484 /nfs/dbraw/zinc/41/14/84/552411484.db2.gz KGYQVBDJBKNBPJ-BKMJKUGQSA-N 0 0 522.399 4.849 50 0 KJAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000003670513 552411443 /nfs/dbraw/zinc/41/14/43/552411443.db2.gz KGYQVBDJBKNBPJ-NVQXNPDNSA-N 0 0 522.399 4.849 50 0 KJAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003670514 552411383 /nfs/dbraw/zinc/41/13/83/552411383.db2.gz KGYQVBDJBKNBPJ-ATIYNZHBSA-N 0 0 522.399 4.849 50 0 KJAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003670515 552411367 /nfs/dbraw/zinc/41/13/67/552411367.db2.gz KGYQVBDJBKNBPJ-GJZUVCINSA-N 0 0 522.399 4.849 50 0 KJAARN Cn1c2ccc(Br)cc2c2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc21 ZINC000003671805 552412491 /nfs/dbraw/zinc/41/24/91/552412491.db2.gz ZNZQAGLDBDSOGG-UHFFFAOYSA-N 0 0 512.311 4.908 50 0 KJAARN CN(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003766539 552414611 /nfs/dbraw/zinc/41/46/11/552414611.db2.gz POZFGQQYRPXEKL-SSEXGKCCSA-N 0 0 546.627 4.691 50 0 KJAARN CN(C)c1ccc(NC(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003766540 552414815 /nfs/dbraw/zinc/41/48/15/552414815.db2.gz POZFGQQYRPXEKL-PMERELPUSA-N 0 0 546.627 4.691 50 0 KJAARN O=C(NCCCn1ccnc1)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1Br ZINC000003766859 552414855 /nfs/dbraw/zinc/41/48/55/552414855.db2.gz MOZJCYOXVGGENF-JJIBRWJFSA-N 0 0 503.400 4.776 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000003767777 552414880 /nfs/dbraw/zinc/41/48/80/552414880.db2.gz BWOFFORKMBKHRN-OINPTKSXSA-N 0 0 579.678 4.743 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000003767779 552414831 /nfs/dbraw/zinc/41/48/31/552414831.db2.gz BWOFFORKMBKHRN-FWESEHMYSA-N 0 0 579.678 4.743 50 0 KJAARN CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1nc(-c2ccccc2)cs1)C(=O)CN1c2ccccc2C(=O)C1=O ZINC000003768031 552415173 /nfs/dbraw/zinc/41/51/73/552415173.db2.gz DNQGTMUHEUTQDS-LJAQVGFWSA-N 0 0 596.665 4.760 50 0 KJAARN CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1nc(-c2ccccc2)cs1)C(=O)CN1c2ccccc2C(=O)C1=O ZINC000003768032 552415150 /nfs/dbraw/zinc/41/51/50/552415150.db2.gz DNQGTMUHEUTQDS-GDLZYMKVSA-N 0 0 596.665 4.760 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)Cc2nc(-c3ccccc3)cs2)n1 ZINC000003768060 552415128 /nfs/dbraw/zinc/41/51/28/552415128.db2.gz CFCFGPSZZJCJJI-UHFFFAOYSA-N 0 0 547.662 4.705 50 0 KJAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(Br)c4)c(=O)n32)c1 ZINC000003770535 552415872 /nfs/dbraw/zinc/41/58/72/552415872.db2.gz SFCHFPHVNUYZNA-LMSRTUJASA-N 0 0 590.499 4.654 50 0 KJAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(Br)c4)c(=O)n32)c1 ZINC000003770537 552415826 /nfs/dbraw/zinc/41/58/26/552415826.db2.gz SFCHFPHVNUYZNA-RISWYLRJSA-N 0 0 590.499 4.654 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OC)c(OC)c4)c(=O)n32)cc1 ZINC000003770653 552415829 /nfs/dbraw/zinc/41/58/29/552415829.db2.gz PSWWGBBTWNGBRK-GTWFGUSFSA-N 0 0 576.074 4.553 50 0 KJAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OC)c(OC)c4)c(=O)n32)cc1 ZINC000003770655 552415860 /nfs/dbraw/zinc/41/58/60/552415860.db2.gz PSWWGBBTWNGBRK-SJJVXOANSA-N 0 0 576.074 4.553 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@@H]2CC=CCC2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003771364 552416518 /nfs/dbraw/zinc/41/65/18/552416518.db2.gz GFHJEKRYFWDJEZ-RNWIMVQKSA-N 0 0 537.616 4.617 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@@H]2CC=CCC2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003771365 552416547 /nfs/dbraw/zinc/41/65/47/552416547.db2.gz GFHJEKRYFWDJEZ-BTYSJIOQSA-N 0 0 537.616 4.617 50 0 KJAARN COc1ccc(NC(=O)[C@@H]([C@H]2CC=CCC2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003771366 552416516 /nfs/dbraw/zinc/41/65/16/552416516.db2.gz GFHJEKRYFWDJEZ-MUAVYFROSA-N 0 0 537.616 4.617 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@H]2CC=CCC2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003771367 552416536 /nfs/dbraw/zinc/41/65/36/552416536.db2.gz GFHJEKRYFWDJEZ-IADCTJSHSA-N 0 0 537.616 4.617 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003771370 552416746 /nfs/dbraw/zinc/41/67/46/552416746.db2.gz BGHRORFHFUUSIL-GDLZYMKVSA-N 0 0 551.574 4.772 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003771371 552416654 /nfs/dbraw/zinc/41/66/54/552416654.db2.gz BGHRORFHFUUSIL-LJAQVGFWSA-N 0 0 551.574 4.772 50 0 KJAARN COc1ccc(NC(=O)[C@H]([C@@H]2CC=CCC2)N(Cc2ccccc2C)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003771376 552416749 /nfs/dbraw/zinc/41/67/49/552416749.db2.gz KFBGZBSKJJLIOV-DJUQAAIZSA-N 0 0 551.643 4.925 50 0 KJAARN CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1nc(-c2ccccc2)cs1)C(=O)Cn1nnc2ccccc21 ZINC000003772078 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510.631 4.694 50 0 investigational KJAARN [NH3+][C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000003830993 552419457 /nfs/dbraw/zinc/41/94/57/552419457.db2.gz XUIIKFGFIJCVMT-LBPRGKRZSA-N 0 0 776.872 4.557 50 0 endogenous,fda KJAARN [NH3+][C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000003830994 291880055 /nfs/dbraw/zinc/88/00/55/291880055.db2.gz XUIIKFGFIJCVMT-GFCCVEGCSA-N 0 0 776.872 4.557 50 0 biogenic,world KJAARN Cc1ccc(S(=O)(=O)Nc2cc(NS(=O)(=O)c3ccc(C)cc3)c(C)c(N3CCCC3=O)c2C)cc1 ZINC000003832502 1066371432 /nfs/dbraw/zinc/37/14/32/1066371432.db2.gz GTOZSYTYTBXLSA-UHFFFAOYSA-N 0 0 527.668 4.649 50 0 KJAARN COc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3N3C(=O)C(Cl)=C(Nc4ccc(OC)cc4OC)C3=O)C2=O)c(OC)c1 ZINC000003953532 552423603 /nfs/dbraw/zinc/42/36/03/552423603.db2.gz DCDNYUQCYSHDKZ-UHFFFAOYSA-N 0 0 639.448 4.592 50 0 KJAARN COc1ccc(OC)c(NC2=C(Cl)C(=O)N(c3ccccc3N3C(=O)C(Cl)=C(Nc4cc(OC)ccc4OC)C3=O)C2=O)c1 ZINC000003953533 552423528 /nfs/dbraw/zinc/42/35/28/552423528.db2.gz 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CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1 ZINC000004122953 552441696 /nfs/dbraw/zinc/44/16/96/552441696.db2.gz KBTFZWYHZHULDT-UHFFFAOYSA-N 0 0 518.643 4.719 50 0 KJAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000004123017 552441619 /nfs/dbraw/zinc/44/16/19/552441619.db2.gz NVUDBNIKPYSKLD-UHFFFAOYSA-N 0 0 566.552 4.853 50 0 KJAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000004123096 552441603 /nfs/dbraw/zinc/44/16/03/552441603.db2.gz XVRWVWQCLYDFKJ-UHFFFAOYSA-N 0 0 502.640 4.565 50 0 KJAARN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1Br ZINC000004123098 552441668 /nfs/dbraw/zinc/44/16/68/552441668.db2.gz UOMSHTLRLMGNOY-UHFFFAOYSA-N 0 0 553.482 4.547 50 0 KJAARN CCOc1cc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc(OCC)c1OCC ZINC000004123101 552441795 /nfs/dbraw/zinc/44/17/95/552441795.db2.gz GXLHKNOKWAPKGB-UHFFFAOYSA-N 0 0 576.719 4.972 50 0 KJAARN 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CC(C)=C(/C(=C/CS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000004422512 552460093 /nfs/dbraw/zinc/46/00/93/552460093.db2.gz DUVJHCLJGICMSZ-BWAHOGKJSA-N 0 0 530.689 4.894 50 0 KJAARN CCOc1cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O ZINC000004425409 552460453 /nfs/dbraw/zinc/46/04/53/552460453.db2.gz POXSOCYKQUSRPZ-UHFFFAOYSA-N 0 0 524.621 4.567 50 0 KJAARN O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C[S@@]2=O ZINC000004470381 552461588 /nfs/dbraw/zinc/46/15/88/552461588.db2.gz LDMDECQMSTUADD-WJOKGBTCSA-N 0 0 505.340 4.634 50 0 KJAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000004473710 552461638 /nfs/dbraw/zinc/46/16/38/552461638.db2.gz AGLKSUJZIQCNIX-QFIPXVFZSA-N 0 0 542.455 4.971 50 0 KJAARN O=C(/C=C/c1ccco1)Oc1ccc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000004475102 552461519 /nfs/dbraw/zinc/46/15/19/552461519.db2.gz LRYJMHKNAKUVLE-YKVSMLDRSA-N 0 0 511.559 4.881 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)CNCc3ccco3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000004483857 552461802 /nfs/dbraw/zinc/46/18/02/552461802.db2.gz FYAAMNWBQBBBEH-UHFFFAOYSA-N 0 0 561.458 4.599 50 0 KJAARN O=C(/C=C/c1cc2c(cc1Br)OCO2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000004489567 552461795 /nfs/dbraw/zinc/46/17/95/552461795.db2.gz DZHZWADOSZLNMJ-OWOJBTEDSA-N 0 0 518.717 4.607 50 0 KJAARN Cc1cc(C(=O)COC(=O)C=Cc2ccc(Br)o2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000004507239 1066514663 /nfs/dbraw/zinc/51/46/63/1066514663.db2.gz VCLCASLMLNMQOB-IZTUGPKFSA-N 0 0 500.345 4.740 50 0 KJAARN COc1cc(/C=C\C(=O)Nc2cc(C)nn2-c2ccc(F)cc2F)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000004507369 1066514556 /nfs/dbraw/zinc/51/45/56/1066514556.db2.gz MVMGIAVHHZYJIW-FLIBITNWSA-N 0 0 580.613 4.879 50 0 KJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004522141 552462262 /nfs/dbraw/zinc/46/22/62/552462262.db2.gz PVLRBRVQUGLNST-RTBURBONSA-N 0 0 538.622 4.956 50 0 KJAARN 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552483630 /nfs/dbraw/zinc/48/36/30/552483630.db2.gz WDANRQSFIBKQSZ-LOYHVIPDSA-N 0 0 527.665 4.882 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1cccc(C)c1 ZINC000004790585 552483651 /nfs/dbraw/zinc/48/36/51/552483651.db2.gz WDANRQSFIBKQSZ-XZWHSSHBSA-N 0 0 527.665 4.882 50 0 KJAARN CCN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1ccccc1 ZINC000004790588 552483663 /nfs/dbraw/zinc/48/36/63/552483663.db2.gz JOLIJXLIYLKNGF-FQLXRVMXSA-N 0 0 513.638 4.573 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1ccccc1 ZINC000004790591 552483657 /nfs/dbraw/zinc/48/36/57/552483657.db2.gz JOLIJXLIYLKNGF-URLMMPGGSA-N 0 0 513.638 4.573 50 0 KJAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000004790595 552483668 /nfs/dbraw/zinc/48/36/68/552483668.db2.gz SZBXXNWCIDRDLF-VSGBNLITSA-N 0 0 565.592 4.908 50 0 KJAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3ccccc3C(=O)N1CC2 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OQTVSOJPCUSXGS-ULJHMMPZSA-N 0 0 504.974 4.783 50 0 KJAARN COc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC ZINC000005493109 552503281 /nfs/dbraw/zinc/50/32/81/552503281.db2.gz BHBTWJAKJNQUBM-AMGIVPHBSA-N 0 0 572.749 4.952 50 0 KJAARN COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC ZINC000005493113 552503238 /nfs/dbraw/zinc/50/32/38/552503238.db2.gz BHBTWJAKJNQUBM-AJTFRIOCSA-N 0 0 572.749 4.952 50 0 KJAARN COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC ZINC000005493125 552503297 /nfs/dbraw/zinc/50/32/97/552503297.db2.gz BHBTWJAKJNQUBM-WXVAWEFUSA-N 0 0 572.749 4.952 50 0 KJAARN CCN(c1ccc(NC(=O)COC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2cccs2)cc1)C(C)C ZINC000005494163 552503635 /nfs/dbraw/zinc/50/36/35/552503635.db2.gz HFERYHONEJLTDO-RUZDIDTESA-N 0 0 555.722 4.843 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@@H]2OC(=O)c1ccccc1 ZINC000005665360 291872173 /nfs/dbraw/zinc/87/21/73/291872173.db2.gz UFCGDBKFOKKVAC-IZDNNGBCSA-N 0 0 536.577 4.958 50 0 biogenic,in-vitro KJAARN CCOC(=O)c1nnsc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3snnc3C(=O)OCC)cc2)cc1 ZINC000005822958 552510412 /nfs/dbraw/zinc/51/04/12/552510412.db2.gz JMILYTJKJYXVML-UHFFFAOYSA-N 0 0 596.651 4.622 50 0 KJAARN CC1(C)O[C@@H]2[C@H](O1)[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2n1cnc2c1nc[nH]c2=O ZINC000005917903 552511799 /nfs/dbraw/zinc/51/17/99/552511799.db2.gz KCWRKFVKIDINBP-SVOGPNEYSA-N 0 0 550.615 4.546 50 0 KJAARN CC1(C)O[C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c3nc[nH]c4=O)[C@@H]2O1 ZINC000005917909 552511783 /nfs/dbraw/zinc/51/17/83/552511783.db2.gz KCWRKFVKIDINBP-BQOYKFDPSA-N 0 0 550.615 4.546 50 0 KJAARN CCOCCCNC(=O)c1c(N)c(C(=O)Nc2ccc(OC(F)F)cc2)sc1Nc1ccc(Cl)cc1 ZINC000005920837 552512646 /nfs/dbraw/zinc/51/26/46/552512646.db2.gz YSKWYLBIGNENLQ-HXUWFJFHSA-N 0 0 539.004 4.882 50 0 KJAARN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O ZINC000005929500 552513376 /nfs/dbraw/zinc/51/33/76/552513376.db2.gz UDHAFKXARZSLDD-YXDQGSNCSA-N 0 0 610.448 4.777 50 0 KJAARN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3I)c2)cc1 ZINC000005940485 552513361 /nfs/dbraw/zinc/51/33/61/552513361.db2.gz RKTFUVHPBANQND-UHFFFAOYSA-N 0 0 552.390 4.752 50 0 KJAARN CCOc1ccccc1N1CCN(Cn2c3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3oc2=S)CC1 ZINC000005940648 552513681 /nfs/dbraw/zinc/51/36/81/552513681.db2.gz LVZQPXVUNUNIHT-UHFFFAOYSA-N 0 0 554.694 4.952 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)NC45CC6CC(CC(C6)C4)C5)nc3c2)cc1 ZINC000005941078 552513718 /nfs/dbraw/zinc/51/37/18/552513718.db2.gz NSZNINURCFQDNH-UHFFFAOYSA-N 0 0 527.668 4.814 50 0 KJAARN C[C@H]1CCCCN1C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)N2CCCC[C@@H]2C)c1 ZINC000005941524 552514128 /nfs/dbraw/zinc/51/41/28/552514128.db2.gz MBJBVHKOGMJIJU-OALUTQOASA-N 0 0 501.624 4.656 50 0 KJAARN COc1cc(-c2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc3n2)cc(OC)c1OC ZINC000005941910 552514021 /nfs/dbraw/zinc/51/40/21/552514021.db2.gz RBAOUXHVOZWKAK-UHFFFAOYSA-N 0 0 577.659 4.509 50 0 KJAARN CC1(C)O[C@@H]2[C@H](O1)[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2n1cnc2c1ncnc2N ZINC000005945764 552515021 /nfs/dbraw/zinc/51/50/21/552515021.db2.gz WEESNKCZWANQSJ-SVOGPNEYSA-N 0 0 549.631 4.835 50 0 KJAARN CC1(C)O[C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c3ncnc4N)[C@@H]2O1 ZINC000005945770 552515030 /nfs/dbraw/zinc/51/50/30/552515030.db2.gz WEESNKCZWANQSJ-BQOYKFDPSA-N 0 0 549.631 4.835 50 0 KJAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)cc2Cl)CC1 ZINC000005946036 552515286 /nfs/dbraw/zinc/51/52/86/552515286.db2.gz UAYPKQPTXBWJEB-UHFFFAOYSA-N 0 0 503.068 4.703 50 0 KJAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CCC)CC3)c(Cl)c2)c1 ZINC000005946053 552515328 /nfs/dbraw/zinc/51/53/28/552515328.db2.gz YAXWIARQGMSNFS-UHFFFAOYSA-N 0 0 503.068 4.704 50 0 KJAARN CCOC(=O)C1CCN(Cn2c3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3oc2=S)CC1 ZINC000005947890 552515787 /nfs/dbraw/zinc/51/57/87/552515787.db2.gz ICEHTDQJFLBHSF-UHFFFAOYSA-N 0 0 510.037 4.651 50 0 KJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000005947961 552515826 /nfs/dbraw/zinc/51/58/26/552515826.db2.gz MBDNDVFUMMWOFO-UHFFFAOYSA-N 0 0 562.113 4.958 50 0 KJAARN CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC000005948422 552515729 /nfs/dbraw/zinc/51/57/29/552515729.db2.gz JRCAMCMZYKTJHH-UHFFFAOYSA-N 0 0 538.695 4.635 50 0 KJAARN CCOC(=O)C1=CC2(SC(C(=O)OC)=C(C(=O)OC)S2)C2=C(S1)C(C)(C)Nc1c(OCC)cccc12 ZINC000005949472 552516392 /nfs/dbraw/zinc/51/63/92/552516392.db2.gz AWVVFTNLLBQNHF-UHFFFAOYSA-N 0 0 549.692 4.928 50 0 KJAARN CCOc1ccccc1Nc1sc(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)c(N)c1C(=O)N1CCOCC1 ZINC000005949610 552516416 /nfs/dbraw/zinc/51/64/16/552516416.db2.gz ZWFULRIFMSWVDN-UHFFFAOYSA-N 0 0 570.693 4.534 50 0 KJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000005980305 552517516 /nfs/dbraw/zinc/51/75/16/552517516.db2.gz OXVVBDXFDYBCGW-DEOSSOPVSA-N 0 0 507.571 4.654 50 0 KJAARN O=C(NCc1ccccn1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000005981415 552517480 /nfs/dbraw/zinc/51/74/80/552517480.db2.gz DIPVCUVJAUMTPT-UHFFFAOYSA-N 0 0 517.994 4.658 50 0 KJAARN O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000005981416 552517452 /nfs/dbraw/zinc/51/74/52/552517452.db2.gz IGJIGJXMPOVWLZ-UHFFFAOYSA-N 0 0 517.994 4.658 50 0 KJAARN CCN(C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000005981459 552517434 /nfs/dbraw/zinc/51/74/34/552517434.db2.gz MYWAWOMDHCJRCJ-HXUWFJFHSA-N 0 0 504.077 4.629 50 0 KJAARN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000006013483 552518737 /nfs/dbraw/zinc/51/87/37/552518737.db2.gz SWTWMKFFLUHKDX-UHFFFAOYSA-N 0 0 532.493 4.529 50 0 KJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000006017374 552519860 /nfs/dbraw/zinc/51/98/60/552519860.db2.gz UYMVBTWWDRBVSI-UHFFFAOYSA-N 0 0 531.421 4.810 50 0 KJAARN O=C(NCCc1ccccc1)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000006023551 552520217 /nfs/dbraw/zinc/52/02/17/552520217.db2.gz JNMKUGXSULYAPB-UHFFFAOYSA-N 0 0 514.651 4.834 50 0 KJAARN Cc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)cc1 ZINC000006023553 552520253 /nfs/dbraw/zinc/52/02/53/552520253.db2.gz YAGGBTSUJAMSOM-UHFFFAOYSA-N 0 0 528.678 4.998 50 0 KJAARN O=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000006033941 552520660 /nfs/dbraw/zinc/52/06/60/552520660.db2.gz IXYIWUWKRGEGNZ-UHFFFAOYSA-N 0 0 581.735 4.592 50 0 KJAARN O=C(CN(CCN1CCOCC1)S(=O)(=O)c1cccc2ccccc21)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000006033948 552520658 /nfs/dbraw/zinc/52/06/58/552520658.db2.gz HUGXWLKNXBKJHC-UHFFFAOYSA-N 0 0 581.735 4.592 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)cc1C ZINC000006038852 552520979 /nfs/dbraw/zinc/52/09/79/552520979.db2.gz ZMQTYDGPERAXRW-UHFFFAOYSA-N 0 0 538.622 4.978 50 0 biogenic KJAARN COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000006058804 552521326 /nfs/dbraw/zinc/52/13/26/552521326.db2.gz JUCKAIQRYPDEEF-UHFFFAOYSA-N 0 0 554.621 4.678 50 0 KJAARN O=S(=O)(CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1)Nc1ccc(Oc2ccc(F)cc2F)nc1 ZINC000006058934 552521292 /nfs/dbraw/zinc/52/12/92/552521292.db2.gz VSOBGCCLPDLNLT-UHFFFAOYSA-N 0 0 584.529 4.759 50 0 KJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000006088413 552530018 /nfs/dbraw/zinc/53/00/18/552530018.db2.gz AJOJCCAVVXMFFI-KBPBESRZSA-N 0 0 510.987 4.826 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000006088414 552530043 /nfs/dbraw/zinc/53/00/43/552530043.db2.gz AJOJCCAVVXMFFI-ZIAGYGMSSA-N 0 0 510.987 4.826 50 0 KJAARN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000006089316 552531300 /nfs/dbraw/zinc/53/13/00/552531300.db2.gz CPGJLOXAIADALE-UHFFFAOYSA-N 0 0 508.003 4.671 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000006089574 552532302 /nfs/dbraw/zinc/53/23/02/552532302.db2.gz IWBAZYWQNPGHPT-UHFFFAOYSA-N 0 0 502.596 4.774 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2-c2ccccc2)cc1 ZINC000006089575 552532304 /nfs/dbraw/zinc/53/23/04/552532304.db2.gz GRMCXRROEKNGND-UHFFFAOYSA-N 0 0 517.611 4.796 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2-c2ccccc2)cc1 ZINC000006089576 552532277 /nfs/dbraw/zinc/53/22/77/552532277.db2.gz SPTBISQHASVZSH-UHFFFAOYSA-N 0 0 518.595 4.762 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2-c2ccc(OC)cc2)c1 ZINC000006089612 552532315 /nfs/dbraw/zinc/53/23/15/552532315.db2.gz JDPJKXAWYDFLEM-UHFFFAOYSA-N 0 0 547.637 4.804 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1 ZINC000006089618 552532739 /nfs/dbraw/zinc/53/27/39/552532739.db2.gz KJZPCZSBJQYZTR-UHFFFAOYSA-N 0 0 548.621 4.868 50 0 KJAARN CCc1cccc(CC)c1NC(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC ZINC000006095192 552534234 /nfs/dbraw/zinc/53/42/34/552534234.db2.gz WVYWFXZMKCENHE-UHFFFAOYSA-N 0 0 502.706 4.942 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)cc1 ZINC000006101529 552534408 /nfs/dbraw/zinc/53/44/08/552534408.db2.gz IBFPCZIMFJOHCL-UHFFFAOYSA-N 0 0 524.595 4.669 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CCc3ccccc3C1)n2-c1ccccc1OC ZINC000006130152 552534863 /nfs/dbraw/zinc/53/48/63/552534863.db2.gz GMVDJEYBIBFXCA-UHFFFAOYSA-N 0 0 564.733 4.742 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CCc3ccccc31)n2-c1ccccc1OC ZINC000006130157 552534805 /nfs/dbraw/zinc/53/48/05/552534805.db2.gz PDRIMDHGPGPUQI-UHFFFAOYSA-N 0 0 550.706 4.746 50 0 KJAARN Cc1cccc2nc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCCC5)c4)n3-c3ccccc3)cn21 ZINC000006134354 552537100 /nfs/dbraw/zinc/53/71/00/552537100.db2.gz UVKVCMZXFKXCPA-UHFFFAOYSA-N 0 0 530.679 4.967 50 0 KJAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CCc3ccccc31)n2CCCC ZINC000006134405 552537260 /nfs/dbraw/zinc/53/72/60/552537260.db2.gz UVUCYPFONWSMQV-UHFFFAOYSA-N 0 0 500.690 4.596 50 0 KJAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1c3ccccc3C[C@H]1C)n2CCCC ZINC000006134409 552537273 /nfs/dbraw/zinc/53/72/73/552537273.db2.gz YLBYLUABYCZLCY-LJQANCHMSA-N 0 0 514.717 4.985 50 0 KJAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1c3ccccc3C[C@@H]1C)n2CCCC ZINC000006134420 552537333 /nfs/dbraw/zinc/53/73/33/552537333.db2.gz YLBYLUABYCZLCY-IBGZPJMESA-N 0 0 514.717 4.985 50 0 KJAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CCc3ccccc3C1)n2CCCC ZINC000006134507 552537798 /nfs/dbraw/zinc/53/77/98/552537798.db2.gz GSTYRBRDDIJODZ-UHFFFAOYSA-N 0 0 514.717 4.592 50 0 KJAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCc1cn3c(n1)nc(C)cc3C)n2CCCC ZINC000006135083 552539012 /nfs/dbraw/zinc/53/90/12/552539012.db2.gz LKERRGCRRZUEFP-UHFFFAOYSA-N 0 0 500.694 4.867 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNc3cccc(C(F)(F)F)c3)n2CC)c1 ZINC000006135605 552539823 /nfs/dbraw/zinc/53/98/23/552539823.db2.gz VGEWVLNPTZWNAB-UHFFFAOYSA-N 0 0 507.538 4.836 50 0 KJAARN CCN1c2ccccc2SC1=c1sc(=C2C(=O)N(c3ccccc3)C(=S)N2c2ccccc2)n(CC)c1=O ZINC000006135700 552539840 /nfs/dbraw/zinc/53/98/40/552539840.db2.gz JEZLYQOSZHARRD-UHFFFAOYSA-N 0 0 556.738 4.574 50 0 KJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000006142205 552543307 /nfs/dbraw/zinc/54/33/07/552543307.db2.gz VZGAGAVLYZDSNF-VXKWHMMOSA-N 0 0 518.620 4.570 50 0 KJAARN Cc1cccc(N(C(=O)c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccc(Cl)cc2)c1 ZINC000006142364 552543553 /nfs/dbraw/zinc/54/35/53/552543553.db2.gz HQPCGSIGXZDWHY-PKTZIBPZSA-N 0 0 518.418 4.971 50 0 aggregator KJAARN Cc1cccc(N(C(=O)c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccc(Cl)cc2)c1 ZINC000006142365 552543478 /nfs/dbraw/zinc/54/34/78/552543478.db2.gz HQPCGSIGXZDWHY-GOTSBHOMSA-N 0 0 518.418 4.971 50 0 aggregator KJAARN Cc1cccc(N(C(=O)c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccc(Cl)cc2)c1 ZINC000006142366 552543568 /nfs/dbraw/zinc/54/35/68/552543568.db2.gz HQPCGSIGXZDWHY-DHIUTWEWSA-N 0 0 518.418 4.971 50 0 aggregator KJAARN Cc1cccc(N(C(=O)c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccc(Cl)cc2)c1 ZINC000006142367 552543547 /nfs/dbraw/zinc/54/35/47/552543547.db2.gz HQPCGSIGXZDWHY-XZOQPEGZSA-N 0 0 518.418 4.971 50 0 aggregator KJAARN Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(-c4ccccn4)cs3)c2)c(=O)n(-c2ccccc2)n1C ZINC000006144169 552545850 /nfs/dbraw/zinc/54/58/50/552545850.db2.gz CVJHCQRHPHXHMM-UHFFFAOYSA-N 0 0 595.106 4.734 50 0 KJAARN Cc1cc(C)nc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(CCc3ccccc3)C2=O)n1 ZINC000006144222 552545804 /nfs/dbraw/zinc/54/58/04/552545804.db2.gz IBXPVPKHLSEUFD-UHFFFAOYSA-N 0 0 509.429 4.883 50 0 KJAARN O=C(COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000006144259 552545821 /nfs/dbraw/zinc/54/58/21/552545821.db2.gz YAURGMSJOVUXMU-CCEZHUSRSA-N 0 0 520.485 4.793 50 0 KJAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nn4cc(-c5ccccc5)nc4s3)c2)cc1 ZINC000006144289 552546155 /nfs/dbraw/zinc/54/61/55/552546155.db2.gz GVZUOVRUGSHLKZ-UHFFFAOYSA-N 0 0 519.608 4.544 50 0 KJAARN O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)NCc1ccco1 ZINC000006144416 552546369 /nfs/dbraw/zinc/54/63/69/552546369.db2.gz WOTVOLXXCFCDIW-UHFFFAOYSA-N 0 0 551.628 4.651 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl)c1ccc(F)cc1 ZINC000006144481 552546718 /nfs/dbraw/zinc/54/67/18/552546718.db2.gz JXKJJLUSCIKPSG-AWEZNQCLSA-N 0 0 546.620 4.843 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl)c1ccc(F)cc1 ZINC000006144482 552546703 /nfs/dbraw/zinc/54/67/03/552546703.db2.gz JXKJJLUSCIKPSG-CQSZACIVSA-N 0 0 546.620 4.843 50 0 KJAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000006144530 552546710 /nfs/dbraw/zinc/54/67/10/552546710.db2.gz DGSJMXITTDQZLQ-AWEZNQCLSA-N 0 0 523.394 4.987 50 0 KJAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000006144531 552546664 /nfs/dbraw/zinc/54/66/64/552546664.db2.gz DGSJMXITTDQZLQ-CQSZACIVSA-N 0 0 523.394 4.987 50 0 KJAARN CCOc1cc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(CCCO)nn32)ccc1OCc1ccccc1 ZINC000006144552 552546640 /nfs/dbraw/zinc/54/66/40/552546640.db2.gz PRUGXOWKUZAQSJ-MUUNZHRXSA-N 0 0 540.624 4.503 50 0 KJAARN CCOc1cc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(CCCO)nn32)ccc1OCc1ccccc1 ZINC000006144553 552546627 /nfs/dbraw/zinc/54/66/27/552546627.db2.gz PRUGXOWKUZAQSJ-NDEPHWFRSA-N 0 0 540.624 4.503 50 0 KJAARN O=C1[C@H]2[C@H](ON(c3ccc(Br)cc3)[C@@H]2c2cccnc2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000006144636 552546924 /nfs/dbraw/zinc/54/69/24/552546924.db2.gz QWVYWZXTRYISRT-AQNXPRMDSA-N 0 0 518.289 4.914 50 0 KJAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1C ZINC000006144784 552547339 /nfs/dbraw/zinc/54/73/39/552547339.db2.gz XKLYSKDRUHGMFZ-OAHLLOKOSA-N 0 0 552.527 4.666 50 0 KJAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1C ZINC000006144785 552547360 /nfs/dbraw/zinc/54/73/60/552547360.db2.gz XKLYSKDRUHGMFZ-HNNXBMFYSA-N 0 0 552.527 4.666 50 0 KJAARN CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000006146292 552547922 /nfs/dbraw/zinc/54/79/22/552547922.db2.gz CTVDMPOBNSSHCC-UHFFFAOYSA-N 0 0 538.508 4.688 50 0 KJAARN CCOC(=O)Cc1csc(NC(=O)CCCCCCCCC(=O)Nc2nc(CC(=O)OCC)cs2)n1 ZINC000006147634 552548868 /nfs/dbraw/zinc/54/88/68/552548868.db2.gz VGJMWWVFNVDRCF-UHFFFAOYSA-N 0 0 538.692 4.509 50 0 KJAARN CCOC(=O)c1ccc2c(c1)nc(C[C@H]1c3ccccc3CCN1S(=O)(=O)c1ccccc1)n2CC ZINC000006147860 552549185 /nfs/dbraw/zinc/54/91/85/552549185.db2.gz XOPAWOHIJJHRJJ-SANMLTNESA-N 0 0 503.624 4.764 50 0 KJAARN CCOC(=O)c1ccc2c(c1)nc(C[C@@H]1c3ccccc3CCN1S(=O)(=O)c1ccccc1)n2CC ZINC000006147863 552549239 /nfs/dbraw/zinc/54/92/39/552549239.db2.gz XOPAWOHIJJHRJJ-AREMUKBSSA-N 0 0 503.624 4.764 50 0 KJAARN C[C@H](Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006147892 552549245 /nfs/dbraw/zinc/54/92/45/552549245.db2.gz NVPHKAQCAVQKHS-HNNXBMFYSA-N 0 0 534.585 4.870 50 0 KJAARN C[C@@H](Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006147894 552549241 /nfs/dbraw/zinc/54/92/41/552549241.db2.gz NVPHKAQCAVQKHS-OAHLLOKOSA-N 0 0 534.585 4.870 50 0 KJAARN Cn1c(CCC(=O)Nc2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000006148019 552549178 /nfs/dbraw/zinc/54/91/78/552549178.db2.gz ASMLYMDHOZDXJY-UHFFFAOYSA-N 0 0 516.667 4.910 50 0 KJAARN O=C(C[C@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000006148612 552549434 /nfs/dbraw/zinc/54/94/34/552549434.db2.gz HTODOOYBKGNIHD-OKILXGFUSA-N 0 0 522.467 4.742 50 0 KJAARN O=C(C[C@H]1CS(=O)(=O)C[C@@H]1CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000006148618 552549399 /nfs/dbraw/zinc/54/93/99/552549399.db2.gz HTODOOYBKGNIHD-KBPBESRZSA-N 0 0 522.467 4.742 50 0 KJAARN O=C(C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000006148623 552549364 /nfs/dbraw/zinc/54/93/64/552549364.db2.gz HTODOOYBKGNIHD-ZIAGYGMSSA-N 0 0 522.467 4.742 50 0 KJAARN CCOc1ccc(CCNC(=O)c2c(N)n(-c3cccc(OC)c3)c3nc4ccccc4nc32)cc1OCC ZINC000006150475 552551413 /nfs/dbraw/zinc/55/14/13/552551413.db2.gz ZROPHFXEHQDSOR-UHFFFAOYSA-N 0 0 525.609 4.934 50 0 KJAARN CCOC(=O)c1sc2nc([C@@H](C)OC(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4C)cc3)[nH]c(=O)c2c1C ZINC000006153381 552551810 /nfs/dbraw/zinc/55/18/10/552551810.db2.gz HXMNUXIJLZSJKG-OAHLLOKOSA-N 0 0 573.624 4.636 50 0 KJAARN CCOC(=O)c1sc2nc([C@H](C)OC(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4C)cc3)[nH]c(=O)c2c1C ZINC000006153383 552551770 /nfs/dbraw/zinc/55/17/70/552551770.db2.gz HXMNUXIJLZSJKG-HNNXBMFYSA-N 0 0 573.624 4.636 50 0 KJAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000006153564 552552195 /nfs/dbraw/zinc/55/21/95/552552195.db2.gz VTGVCNPEKVKUAM-UHFFFAOYSA-N 0 0 508.669 4.805 50 0 KJAARN O=C(CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)NCc1cccnc1 ZINC000006154184 552552155 /nfs/dbraw/zinc/55/21/55/552552155.db2.gz YTLWXRZAMMFUPE-UHFFFAOYSA-N 0 0 504.666 4.973 50 0 KJAARN COc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000006156605 552552320 /nfs/dbraw/zinc/55/23/20/552552320.db2.gz FZEKBTPBUDICFZ-UHFFFAOYSA-N 0 0 506.609 4.608 50 0 KJAARN CCOC(=O)c1ccc(CNC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2-c2ccccc2)cc1 ZINC000006158107 552553673 /nfs/dbraw/zinc/55/36/73/552553673.db2.gz YYJGFROXEVIXSH-UHFFFAOYSA-N 0 0 548.694 4.552 50 0 KJAARN COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2S(C)(=O)=O)c1 ZINC000006161709 552554382 /nfs/dbraw/zinc/55/43/82/552554382.db2.gz XQUUEDZHVNSTCV-QHCPKHFHSA-N 0 0 538.025 4.976 50 0 KJAARN COc1cccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2S(C)(=O)=O)c1OC ZINC000006161728 552554316 /nfs/dbraw/zinc/55/43/16/552554316.db2.gz UJXSFYFASSWSEQ-QFIPXVFZSA-N 0 0 538.025 4.976 50 0 KJAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000006163275 552555879 /nfs/dbraw/zinc/55/58/79/552555879.db2.gz DIEWIKCVMGXNRZ-UHFFFAOYSA-N 0 0 515.566 4.751 50 0 KJAARN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006163723 552555821 /nfs/dbraw/zinc/55/58/21/552555821.db2.gz XCEAWGGTLFWUFX-HHHXNRCGSA-N 0 0 520.541 4.868 50 0 KJAARN Cc1cccc2nc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3[C@@H](C)c3ccccc3)cn21 ZINC000006165986 552556391 /nfs/dbraw/zinc/55/63/91/552556391.db2.gz TVERRAFDYZBKBV-QFIPXVFZSA-N 0 0 574.732 4.824 50 0 KJAARN Cc1cccc2nc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3[C@H](C)c3ccccc3)cn21 ZINC000006165987 552556380 /nfs/dbraw/zinc/55/63/80/552556380.db2.gz TVERRAFDYZBKBV-JOCHJYFZSA-N 0 0 574.732 4.824 50 0 KJAARN CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000006169584 552558621 /nfs/dbraw/zinc/55/86/21/552558621.db2.gz AYLNRNDXURGEQF-UHFFFAOYSA-N 0 0 502.539 4.859 50 0 KJAARN CCN(CC)C(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c3ccccc32)cc1 ZINC000006171365 552558577 /nfs/dbraw/zinc/55/85/77/552558577.db2.gz PYFXJUNUEWMIFY-UHFFFAOYSA-N 0 0 572.735 4.767 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000006173274 1066209322 /nfs/dbraw/zinc/20/93/22/1066209322.db2.gz RDAWVTBAOSINCZ-YFHOEESVSA-N 0 0 519.834 4.872 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000006173278 1066209558 /nfs/dbraw/zinc/20/95/58/1066209558.db2.gz JJCGNIZHNJSARR-GHXNOFRVSA-N 0 0 518.941 4.584 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C2=N/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)C(=O)O2)cc1 ZINC000006173309 552558996 /nfs/dbraw/zinc/55/89/96/552558996.db2.gz PDVTVZGYOYPICL-XHPQRKPJSA-N 0 0 526.618 4.914 50 0 KJAARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1)NCc1cccc(Cl)c1 ZINC000006180956 552561016 /nfs/dbraw/zinc/56/10/16/552561016.db2.gz DLZXACJDHDZIIN-UHFFFAOYSA-N 0 0 506.436 4.989 50 0 KJAARN COc1ccc(S(=O)(=O)n2c3ccccc3nc2SCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000006180965 552561040 /nfs/dbraw/zinc/56/10/40/552561040.db2.gz JZZSFJCOEFPUJP-UHFFFAOYSA-N 0 0 550.431 4.914 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000006180968 552561026 /nfs/dbraw/zinc/56/10/26/552561026.db2.gz PNZAZLSECMSMOR-UHFFFAOYSA-N 0 0 515.016 4.616 50 0 KJAARN COc1ccc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n(S(=O)(=O)c3ccc(Cl)cc3)c2c1 ZINC000006180982 552561267 /nfs/dbraw/zinc/56/12/67/552561267.db2.gz HDSPUIYQNYLMKE-UHFFFAOYSA-N 0 0 545.042 4.625 50 0 KJAARN COc1ccc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n(S(=O)(=O)c3ccc(Br)cc3)c2c1 ZINC000006180983 552561186 /nfs/dbraw/zinc/56/11/86/552561186.db2.gz RIBAQQZNXICTLF-UHFFFAOYSA-N 0 0 589.493 4.734 50 0 KJAARN COc1cc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000006180989 552561107 /nfs/dbraw/zinc/56/11/07/552561107.db2.gz PRSICCQLNPSOED-UHFFFAOYSA-N 0 0 548.042 4.683 50 0 KJAARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F 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COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2cc1OC ZINC000006238701 552572292 /nfs/dbraw/zinc/57/22/92/552572292.db2.gz CGDHTFHHAXCDDZ-UHFFFAOYSA-N 0 0 551.621 4.619 50 0 KJAARN O=C1c2ccccc2C(=CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N1c1ccc(Cl)cn1 ZINC000006251824 552575441 /nfs/dbraw/zinc/57/54/41/552575441.db2.gz JMGPXUVYDPDGBE-QJOMJCCJSA-N 0 0 523.014 4.550 50 0 KJAARN CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)nc2c1 ZINC000006296599 552579072 /nfs/dbraw/zinc/57/90/72/552579072.db2.gz ILJKQXYVAHGLKI-UHFFFAOYSA-N 0 0 540.715 4.855 50 0 KJAARN CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N(C)Cc4ccccc4)c(O)c3c2)cc1 ZINC000006296717 552579032 /nfs/dbraw/zinc/57/90/32/552579032.db2.gz WMPPQABJNAHWKT-UHFFFAOYSA-N 0 0 503.624 4.749 50 0 KJAARN CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NC3CCCCCC3)c(O)c2c1 ZINC000006296741 552578999 /nfs/dbraw/zinc/57/89/99/552578999.db2.gz DDCXYGUOJSDHOQ-UHFFFAOYSA-N 0 0 532.460 4.568 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 ZINC000006296897 552579330 /nfs/dbraw/zinc/57/93/30/552579330.db2.gz VYTVTWABKYSRHE-UHFFFAOYSA-N 0 0 502.017 4.975 50 0 KJAARN COc1ccc(S(=O)(=O)n2c3ccccc3nc2SCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000006296902 552579329 /nfs/dbraw/zinc/57/93/29/552579329.db2.gz RVTHFNVSRUUFDZ-UHFFFAOYSA-N 0 0 518.016 4.675 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000006296906 552579399 /nfs/dbraw/zinc/57/93/99/552579399.db2.gz NDBJQBKZDDZGAE-UHFFFAOYSA-N 0 0 545.042 4.625 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1 ZINC000006296925 552579654 /nfs/dbraw/zinc/57/96/54/552579654.db2.gz XPZCSOCPEGRVNK-UHFFFAOYSA-N 0 0 532.441 4.775 50 0 KJAARN COc1cc(OC)c(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1Cl ZINC000006296926 552579648 /nfs/dbraw/zinc/57/96/48/552579648.db2.gz HLQJTCURPDHSGO-UHFFFAOYSA-N 0 0 518.016 4.675 50 0 KJAARN COc1cc(OC)c(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000006296927 552579640 /nfs/dbraw/zinc/57/96/40/552579640.db2.gz KRXADAJRGFZQDM-UHFFFAOYSA-N 0 0 532.043 4.983 50 0 KJAARN COc1ccc(S(=O)(=O)n2c3ccccc3nc2SCC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000006296930 552579645 /nfs/dbraw/zinc/57/96/45/552579645.db2.gz IQVRUSQNGXNKJT-UHFFFAOYSA-N 0 0 548.042 4.683 50 0 KJAARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000006296946 552579633 /nfs/dbraw/zinc/57/96/33/552579633.db2.gz MIIVXPBCNFQGCZ-UHFFFAOYSA-N 0 0 507.515 4.903 50 0 KJAARN COc1ccc(S(=O)(=O)n2c3ccccc3nc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000006296953 552579647 /nfs/dbraw/zinc/57/96/47/552579647.db2.gz SPEBRHCXRVMELB-UHFFFAOYSA-N 0 0 537.541 4.911 50 0 KJAARN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1Br ZINC000006297077 552579642 /nfs/dbraw/zinc/57/96/42/552579642.db2.gz RGJPAUGAJHXWRI-UHFFFAOYSA-N 0 0 516.808 4.972 50 0 KJAARN Ic1ccc(Nc2nc3nonc3nc2Nc2ccc(I)cc2)cc1 ZINC000006444953 552587445 /nfs/dbraw/zinc/58/74/45/552587445.db2.gz KXBGCIMRYZMVCD-UHFFFAOYSA-N 0 0 556.105 4.709 50 0 KJAARN O=c1oc2c(I)cc(I)cc2cc1-c1nc2ccccc2[nH]1 ZINC000006446918 552589753 /nfs/dbraw/zinc/58/97/53/552589753.db2.gz ISMRXXLDADHTLA-UHFFFAOYSA-N 0 0 514.060 4.546 50 0 KJAARN O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(I)cc1 ZINC000006456902 552590089 /nfs/dbraw/zinc/59/00/89/552590089.db2.gz IDNKBLMWKQDKAW-UHFFFAOYSA-N 0 0 500.321 4.621 50 0 KJAARN O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(I)cc1 ZINC000006457095 552589964 /nfs/dbraw/zinc/58/99/64/552589964.db2.gz XZNTZNXFXBYNAG-UHFFFAOYSA-N 0 0 500.321 4.621 50 0 KJAARN COc1ccc2[nH]c(SCC(=O)Nc3ccccc3NC(=O)CSc3nc4cc(OC)ccc4[nH]3)nc2c1 ZINC000006459022 552589971 /nfs/dbraw/zinc/58/99/71/552589971.db2.gz VGBVREAUGOQFGM-UHFFFAOYSA-N 0 0 548.650 4.918 50 0 KJAARN O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)NCc1nc2ccccc2[nH]1 ZINC000006460745 552590165 /nfs/dbraw/zinc/59/01/65/552590165.db2.gz FUFALFMXJNOQJH-UHFFFAOYSA-N 0 0 501.490 4.566 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000006461748 552590486 /nfs/dbraw/zinc/59/04/86/552590486.db2.gz IUGQYRCKVBJCHV-UHFFFAOYSA-N 0 0 583.688 4.762 50 0 KJAARN CCCCCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006472007 552591794 /nfs/dbraw/zinc/59/17/94/552591794.db2.gz LZYKRBRJBBCWKC-MUUNZHRXSA-N 0 0 608.786 4.867 50 0 KJAARN CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006472012 552591815 /nfs/dbraw/zinc/59/18/15/552591815.db2.gz LZYKRBRJBBCWKC-NDEPHWFRSA-N 0 0 608.786 4.867 50 0 KJAARN O[C@@H](Cn1nnc2ccccc21)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000006475506 552593545 /nfs/dbraw/zinc/59/35/45/552593545.db2.gz NJMQAEVOXDULBH-OAHLLOKOSA-N 0 0 594.194 4.810 50 0 KJAARN O[C@H](Cn1nnc2ccccc21)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000006475507 552593619 /nfs/dbraw/zinc/59/36/19/552593619.db2.gz NJMQAEVOXDULBH-HNNXBMFYSA-N 0 0 594.194 4.810 50 0 KJAARN O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccccn2)C3=O)cc1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O ZINC000006475572 552593601 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ZINC000008440371 553037469 /nfs/dbraw/zinc/03/74/69/553037469.db2.gz IQCDCNPLVLYIQN-LMSRTUJASA-N 0 0 609.498 4.838 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008440372 553037433 /nfs/dbraw/zinc/03/74/33/553037433.db2.gz IQCDCNPLVLYIQN-RISWYLRJSA-N 0 0 609.498 4.838 50 0 KJAARN O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)cc1)N1CCCCCC1 ZINC000008440414 553037714 /nfs/dbraw/zinc/03/77/14/553037714.db2.gz YRANRTGHLCDGJK-ZIADKAODSA-N 0 0 540.755 4.736 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008440607 553037895 /nfs/dbraw/zinc/03/78/95/553037895.db2.gz KSKZGMRIMAZNIN-KMBIYUNPSA-N 0 0 565.047 4.729 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008440609 553037928 /nfs/dbraw/zinc/03/79/28/553037928.db2.gz KSKZGMRIMAZNIN-GVMLUORFSA-N 0 0 565.047 4.729 50 0 KJAARN 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ZINC000008445151 553053456 /nfs/dbraw/zinc/05/34/56/553053456.db2.gz YYUXOTHMQFVPMP-LWUPDDLQSA-N 0 0 646.547 4.897 50 0 KJAARN CCOC(=O)c1cn(NC(=O)c2cn(CC)c3cc(N4CCCCCC4)c(F)cc3c2=O)c2c(F)c(F)c(F)cc2c1=O ZINC000008445166 553053380 /nfs/dbraw/zinc/05/33/80/553053380.db2.gz LOLADRIGWZNIRW-UHFFFAOYSA-N 0 0 600.569 4.834 50 0 KJAARN O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000008445208 553053673 /nfs/dbraw/zinc/05/36/73/553053673.db2.gz FJMOXXNGAXDWSX-UHFFFAOYSA-N 0 0 632.694 4.648 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000008445259 553053677 /nfs/dbraw/zinc/05/36/77/553053677.db2.gz QJEWYKBXTPNPJV-RISWYLRJSA-N 0 0 643.556 4.672 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000008445260 553053698 /nfs/dbraw/zinc/05/36/98/553053698.db2.gz QJEWYKBXTPNPJV-LMSRTUJASA-N 0 0 643.556 4.672 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4cc(OC)ccc4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008445332 553053893 /nfs/dbraw/zinc/05/38/93/553053893.db2.gz SNHUKPOYFPXNLF-FABFSAKGSA-N 0 0 609.704 4.972 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4cc(OC)ccc4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008445333 553053876 /nfs/dbraw/zinc/05/38/76/553053876.db2.gz SNHUKPOYFPXNLF-CTHKJOMYSA-N 0 0 609.704 4.972 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008445335 553053868 /nfs/dbraw/zinc/05/38/68/553053868.db2.gz JJLTUBXAVLCQKF-FWESEHMYSA-N 0 0 579.678 4.964 50 0 KJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCCNC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000008445920 553055339 /nfs/dbraw/zinc/05/53/39/553055339.db2.gz OYJWWNAQFJOIMJ-UHFFFAOYSA-N 0 0 525.440 4.922 50 0 KJAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccc(OC)c(OC)c4)c3N2)c1 ZINC000008446318 553055543 /nfs/dbraw/zinc/05/55/43/553055543.db2.gz QYCLKJABKKMQDX-KNQAVFIVSA-N 0 0 504.509 4.542 50 0 KJAARN COc1ccc(NC(=O)c2cc(I)ccc2I)cc1Cl ZINC000008448813 553056524 /nfs/dbraw/zinc/05/65/24/553056524.db2.gz QKVSAGFBMQBECE-UHFFFAOYSA-N 0 0 513.500 4.810 50 0 KJAARN O=C(Nc1ccc(Br)cc1)c1cc(I)ccc1I ZINC000008448815 553056467 /nfs/dbraw/zinc/05/64/67/553056467.db2.gz FXOLWMGIIFMHJU-UHFFFAOYSA-N 0 0 527.925 4.911 50 0 KJAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000008448835 553056787 /nfs/dbraw/zinc/05/67/87/553056787.db2.gz AGLKSUJZIQCNIX-JOCHJYFZSA-N 0 0 542.455 4.971 50 0 KJAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc(Br)c1OC(=O)c1ccc(C)cc1 ZINC000008448836 553056748 /nfs/dbraw/zinc/05/67/48/553056748.db2.gz MLGRNVFVKOPRMP-QFIPXVFZSA-N 0 0 542.455 4.889 50 0 KJAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc(Br)c1OC(=O)c1ccc(C)cc1 ZINC000008448837 553056766 /nfs/dbraw/zinc/05/67/66/553056766.db2.gz MLGRNVFVKOPRMP-JOCHJYFZSA-N 0 0 542.455 4.889 50 0 KJAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1cccc(Br)c1 ZINC000008448844 553056781 /nfs/dbraw/zinc/05/67/81/553056781.db2.gz XPIWXXPJBHCRPZ-NRFANRHFSA-N 0 0 528.428 4.580 50 0 KJAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1cccc(Br)c1 ZINC000008448846 553056674 /nfs/dbraw/zinc/05/66/74/553056674.db2.gz XPIWXXPJBHCRPZ-OAQYLSRUSA-N 0 0 528.428 4.580 50 0 KJAARN O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000008448939 553056776 /nfs/dbraw/zinc/05/67/76/553056776.db2.gz WGUVAUHXCCFGNK-UHFFFAOYSA-N 0 0 552.377 4.634 50 0 KJAARN Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 ZINC000008449748 553057433 /nfs/dbraw/zinc/05/74/33/553057433.db2.gz RQWAXWOMMIKPTP-DQXSBBCTSA-N 0 0 637.324 4.935 50 0 KJAARN Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 ZINC000008449749 553057456 /nfs/dbraw/zinc/05/74/56/553057456.db2.gz RQWAXWOMMIKPTP-CCSVULQMSA-N 0 0 637.324 4.935 50 0 KJAARN Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 ZINC000008449751 553057488 /nfs/dbraw/zinc/05/74/88/553057488.db2.gz RQWAXWOMMIKPTP-LGAXSRDJSA-N 0 0 637.324 4.935 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)c2)C[C@H](C)O1 ZINC000008450085 553057776 /nfs/dbraw/zinc/05/77/76/553057776.db2.gz OEPNSDDWNOXKGO-HDICACEKSA-N 0 0 528.030 4.643 50 0 KJAARN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)c2)C[C@H](C)O1 ZINC000008450086 553057807 /nfs/dbraw/zinc/05/78/07/553057807.db2.gz OEPNSDDWNOXKGO-ROUUACIJSA-N 0 0 528.030 4.643 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)c2)C[C@@H](C)O1 ZINC000008450087 553057832 /nfs/dbraw/zinc/05/78/32/553057832.db2.gz OEPNSDDWNOXKGO-QZTJIDSGSA-N 0 0 528.030 4.643 50 0 KJAARN O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000008450089 553057784 /nfs/dbraw/zinc/05/77/84/553057784.db2.gz DNOAUEBSLOJGFH-GYFGIZOYSA-N 0 0 514.581 4.619 50 0 KJAARN O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000008450092 553057818 /nfs/dbraw/zinc/05/78/18/553057818.db2.gz DNOAUEBSLOJGFH-VHYCACNQSA-N 0 0 514.581 4.619 50 0 KJAARN O=C(Oc1ccc(OC(=O)c2ccco2)c(S(=O)(=O)c2ccc(Br)cc2)c1)c1ccco1 ZINC000008450130 553057793 /nfs/dbraw/zinc/05/77/93/553057793.db2.gz GPKHKQPJXZVCEI-UHFFFAOYSA-N 0 0 517.309 4.906 50 0 KJAARN COc1cccc(C(=O)COC(=O)[C@@H](C)N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000008450211 553057929 /nfs/dbraw/zinc/05/79/29/553057929.db2.gz UHGIGHZNNUIKHT-MRVPVSSYSA-N 0 0 505.137 4.719 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000008450510 553058500 /nfs/dbraw/zinc/05/85/00/553058500.db2.gz TVIGXJCGELRAPM-UHFFFAOYSA-N 0 0 548.492 4.542 50 0 KJAARN O=C(COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1Br)Nc1ccccc1 ZINC000008450528 553058513 /nfs/dbraw/zinc/05/85/13/553058513.db2.gz OVFGMSPMBGDQRD-NLRVBDNBSA-N 0 0 635.540 4.852 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)ccc2OC)cc1OC ZINC000008450561 553058493 /nfs/dbraw/zinc/05/84/93/553058493.db2.gz XCWZQWUOGGXVJT-UHFFFAOYSA-N 0 0 594.517 4.563 50 0 KJAARN Cc1ccc(NC(=S)NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c(Br)c1 ZINC000008450826 553059278 /nfs/dbraw/zinc/05/92/78/553059278.db2.gz YXOJZLIZTBMRLH-UHFFFAOYSA-N 0 0 508.239 4.892 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=S)N1Cc1ccncc1 ZINC000008450827 553059265 /nfs/dbraw/zinc/05/92/65/553059265.db2.gz IHYYRWKSOHQRQQ-HSZRJFAPSA-N 0 0 508.047 4.641 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)N(c2ccc(N(C)C)cc2)C(=S)N1Cc1ccncc1 ZINC000008450828 553059248 /nfs/dbraw/zinc/05/92/48/553059248.db2.gz IHYYRWKSOHQRQQ-QHCPKHFHSA-N 0 0 508.047 4.641 50 0 KJAARN O=C(CCC(=O)OCC(=O)c1ccc(Cl)cc1)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000008451507 553061267 /nfs/dbraw/zinc/06/12/67/553061267.db2.gz LEJGJUZMRQLTMR-UHFFFAOYSA-N 0 0 507.926 4.525 50 0 KJAARN Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)OCC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000008451508 553061264 /nfs/dbraw/zinc/06/12/64/553061264.db2.gz JDUQXLKZNXQWNE-UHFFFAOYSA-N 0 0 521.953 4.833 50 0 KJAARN C[C@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1)C(=O)c1ccccc1 ZINC000008451509 553061309 /nfs/dbraw/zinc/06/13/09/553061309.db2.gz VZTKADFSOREHFI-SFHVURJKSA-N 0 0 521.953 4.913 50 0 KJAARN C[C@@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1)C(=O)c1ccccc1 ZINC000008451510 553061261 /nfs/dbraw/zinc/06/12/61/553061261.db2.gz VZTKADFSOREHFI-GOSISDBHSA-N 0 0 521.953 4.913 50 0 KJAARN C[C@H](OC(=O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000008451511 553061274 /nfs/dbraw/zinc/06/12/74/553061274.db2.gz PTHJVCAERVQNDU-SFHVURJKSA-N 0 0 521.953 4.913 50 0 KJAARN C[C@@H](OC(=O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000008451512 553061292 /nfs/dbraw/zinc/06/12/92/553061292.db2.gz PTHJVCAERVQNDU-GOSISDBHSA-N 0 0 521.953 4.913 50 0 KJAARN O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc(Br)c2cccnc12 ZINC000008451517 553061279 /nfs/dbraw/zinc/06/12/79/553061279.db2.gz CHDPCQQCEOVGNZ-UHFFFAOYSA-N 0 0 520.177 4.905 50 0 aggregator KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4cccc(OC)c4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008451559 553061512 /nfs/dbraw/zinc/06/15/12/553061512.db2.gz VXAYJNMWDHFNRL-BMZLMQSUSA-N 0 0 609.704 4.972 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4cccc(OC)c4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008451560 553061523 /nfs/dbraw/zinc/06/15/23/553061523.db2.gz VXAYJNMWDHFNRL-XLHJEKARSA-N 0 0 609.704 4.972 50 0 KJAARN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000008451599 553061757 /nfs/dbraw/zinc/06/17/57/553061757.db2.gz QMMGQPJEIIHBGP-OYKKKHCWSA-N 0 0 549.580 4.835 50 0 KJAARN CCOc1cc(C=O)cc(I)c1OCc1ccc(I)cc1 ZINC000008451882 553062212 /nfs/dbraw/zinc/06/22/12/553062212.db2.gz BNRIHCBAAAXJDR-UHFFFAOYSA-N 0 0 508.093 4.686 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000008452242 553063355 /nfs/dbraw/zinc/06/33/55/553063355.db2.gz KIFAOBHZDURJBC-ACJNQYEBSA-N 0 0 584.694 4.785 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000008452243 553063363 /nfs/dbraw/zinc/06/33/63/553063363.db2.gz KIFAOBHZDURJBC-HSUOJCLFSA-N 0 0 584.694 4.785 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(F)c4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000008452277 553063306 /nfs/dbraw/zinc/06/33/06/553063306.db2.gz FXKLZWSKIVEINY-PQRKSKNISA-N 0 0 602.684 4.924 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc(F)c4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000008452279 553063327 /nfs/dbraw/zinc/06/33/27/553063327.db2.gz FXKLZWSKIVEINY-NNAGEYCMSA-N 0 0 602.684 4.924 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000008452331 553063566 /nfs/dbraw/zinc/06/35/66/553063566.db2.gz RGDPLCSTVRYOJS-PQRKSKNISA-N 0 0 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O=C(c1cc(C(=O)N2CCN(c3ccccc3F)CC2)cc(C(=O)N2CCN(c3ccccc3F)CC2)c1)N1CCN(c2ccccc2F)CC1 ZINC000008455792 553073377 /nfs/dbraw/zinc/07/33/77/553073377.db2.gz KZUQZHBUSDZLCD-UHFFFAOYSA-N 0 0 696.774 4.991 50 0 KJAARN O=C(c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1 ZINC000008455796 553073398 /nfs/dbraw/zinc/07/33/98/553073398.db2.gz ODKMTSIGFIDUGN-UHFFFAOYSA-N 0 0 642.804 4.574 50 0 KJAARN COc1ccc(/C=C\C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1COc1ccc(Br)cc1 ZINC000008456241 553074492 /nfs/dbraw/zinc/07/44/92/553074492.db2.gz WVEDPLCNIAJQNU-SDQBBNPISA-N 0 0 587.492 4.710 50 0 KJAARN N=C1NC(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)S1 ZINC000008456348 553074479 /nfs/dbraw/zinc/07/44/79/553074479.db2.gz JQVSVUNCGBRTJH-VGOFMYFVSA-N 0 0 562.170 4.613 50 0 KJAARN COc1ccccc1OCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCOc3ccccc3OC)C4=O)cc2C1=O ZINC000008457000 553074934 /nfs/dbraw/zinc/07/49/34/553074934.db2.gz ZOPRMBLBZNJSLK-UHFFFAOYSA-N 0 0 608.603 4.846 50 0 KJAARN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccccc5)o4)c(=O)n32)c1 ZINC000008461774 553075217 /nfs/dbraw/zinc/07/52/17/553075217.db2.gz FHYVHNGDNFBQPM-WWFXOLRUSA-N 0 0 576.696 4.948 50 0 KJAARN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccccc5)o4)c(=O)n32)c1 ZINC000008461775 553075225 /nfs/dbraw/zinc/07/52/25/553075225.db2.gz FHYVHNGDNFBQPM-HTCWZNLXSA-N 0 0 576.696 4.948 50 0 KJAARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(I)cc3C(C)C)n2C)cc1 ZINC000008461794 553075214 /nfs/dbraw/zinc/07/52/14/553075214.db2.gz KMCUYUXKERUEBI-UHFFFAOYSA-N 0 0 563.465 4.512 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008492314 553075866 /nfs/dbraw/zinc/07/58/66/553075866.db2.gz CVASDXUKISTGFP-DBXPASCUSA-N 0 0 609.125 4.528 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000008492320 553075836 /nfs/dbraw/zinc/07/58/36/553075836.db2.gz CVASDXUKISTGFP-CMISJSSVSA-N 0 0 609.125 4.528 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCCOc3ccc(C)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008492375 553075887 /nfs/dbraw/zinc/07/58/87/553075887.db2.gz JUDNDYRMSSTWLX-GONGWJOBSA-N 0 0 628.747 4.890 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCCOc3ccc(C)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008492384 553075851 /nfs/dbraw/zinc/07/58/51/553075851.db2.gz JUDNDYRMSSTWLX-UTAOYMJKSA-N 0 0 628.747 4.890 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008492436 553075889 /nfs/dbraw/zinc/07/58/89/553075889.db2.gz JTBFKRYNRZGMAU-YNMQQHPQSA-N 0 0 639.151 4.536 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008492441 553075883 /nfs/dbraw/zinc/07/58/83/553075883.db2.gz JTBFKRYNRZGMAU-ASZNLBCTSA-N 0 0 639.151 4.536 50 0 KJAARN CCOc1cc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCO)ccc1OCc1ccccc1 ZINC000008569259 553078066 /nfs/dbraw/zinc/07/80/66/553078066.db2.gz BTVIECRAGQLPGP-MUUNZHRXSA-N 0 0 513.594 4.914 50 0 KJAARN CCOc1cc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCO)ccc1OCc1ccccc1 ZINC000008569262 553078018 /nfs/dbraw/zinc/07/80/18/553078018.db2.gz BTVIECRAGQLPGP-NDEPHWFRSA-N 0 0 513.594 4.914 50 0 KJAARN CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000008583007 553078554 /nfs/dbraw/zinc/07/85/54/553078554.db2.gz CKZVEHXEWLNIAV-MUUNZHRXSA-N 0 0 564.704 4.869 50 0 KJAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000008583008 553078617 /nfs/dbraw/zinc/07/86/17/553078617.db2.gz CKZVEHXEWLNIAV-NDEPHWFRSA-N 0 0 564.704 4.869 50 0 KJAARN CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000008583009 553078545 /nfs/dbraw/zinc/07/85/45/553078545.db2.gz VDDPRLRCFUVFGJ-RUZDIDTESA-N 0 0 549.620 4.645 50 0 KJAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000008583010 553078648 /nfs/dbraw/zinc/07/86/48/553078648.db2.gz VDDPRLRCFUVFGJ-VWLOTQADSA-N 0 0 549.620 4.645 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCN(CC)C2 ZINC000008583069 553078580 /nfs/dbraw/zinc/07/85/80/553078580.db2.gz BESBHBFGABYKLE-UHFFFAOYSA-N 0 0 549.759 4.858 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000008583087 553078548 /nfs/dbraw/zinc/07/85/48/553078548.db2.gz IRYVPWOJVGSMEN-UHFFFAOYSA-N 0 0 593.768 4.994 50 0 KJAARN CCOc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1OC ZINC000008583309 553079064 /nfs/dbraw/zinc/07/90/64/553079064.db2.gz BIFHHLXYLIJOTF-GDLZYMKVSA-N 0 0 524.658 4.789 50 0 KJAARN CCOc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1OC ZINC000008583310 553079060 /nfs/dbraw/zinc/07/90/60/553079060.db2.gz BIFHHLXYLIJOTF-LJAQVGFWSA-N 0 0 524.658 4.789 50 0 KJAARN CCOc1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OCC ZINC000008583465 553079570 /nfs/dbraw/zinc/07/95/70/553079570.db2.gz LDXZFSSHNBKSRI-UHFFFAOYSA-N 0 0 523.095 4.581 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000008583518 553079808 /nfs/dbraw/zinc/07/98/08/553079808.db2.gz FTXHHQMYUXGCIH-LHEWISCISA-N 0 0 552.052 4.581 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008583556 553079998 /nfs/dbraw/zinc/07/99/98/553079998.db2.gz ZZKFNAVZDIIRTM-OAQYLSRUSA-N 0 0 567.063 4.749 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008583557 553080050 /nfs/dbraw/zinc/08/00/50/553080050.db2.gz ZZKFNAVZDIIRTM-NRFANRHFSA-N 0 0 567.063 4.749 50 0 KJAARN Cc1oc(-c2ccccc2Cl)nc1C[S@@](=O)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008583578 553080290 /nfs/dbraw/zinc/08/02/90/553080290.db2.gz BRRIOSYKPYORNN-DHUJRADRSA-N 0 0 525.980 4.920 50 0 KJAARN COc1cc2c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cn(CC(C)C)c(=O)c2cc1OC ZINC000008583735 553080310 /nfs/dbraw/zinc/08/03/10/553080310.db2.gz QPDHRRBVWWSTEY-UHFFFAOYSA-N 0 0 517.548 4.656 50 0 KJAARN Cc1oc(-c2ccccc2Cl)nc1C[S@](=O)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008583985 553080523 /nfs/dbraw/zinc/08/05/23/553080523.db2.gz BRRIOSYKPYORNN-PGUFJCEWSA-N 0 0 525.980 4.920 50 0 KJAARN COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000008584807 553080459 /nfs/dbraw/zinc/08/04/59/553080459.db2.gz WDBRRALHYKEUMH-UHFFFAOYSA-N 0 0 529.368 4.721 50 0 KJAARN CCOc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3Cl)o2)cc1OCC ZINC000008584808 553080495 /nfs/dbraw/zinc/08/04/95/553080495.db2.gz BEXKBVXNUSLOPK-UHFFFAOYSA-N 0 0 506.020 4.818 50 0 KJAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3ccccc3F)CC2)cc1OC ZINC000008587702 553080744 /nfs/dbraw/zinc/08/07/44/553080744.db2.gz IVWFNBVYYWWVNZ-UHFFFAOYSA-N 0 0 517.557 4.733 50 0 KJAARN COc1ccccc1-c1nc2c(c(SCC(=O)Nc3ccccc3F)n1)Cc1c(CO)cnc(C)c1O2 ZINC000008589245 553081000 /nfs/dbraw/zinc/08/10/00/553081000.db2.gz ZUFGCNDYKZWLJS-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN COc1cc(Nc2nc3c(S(=O)(=O)c4cccc(Cl)c4)nnn3c3ccsc32)cc(OC)c1 ZINC000008589278 553080940 /nfs/dbraw/zinc/08/09/40/553080940.db2.gz HLOWFYXBBZFQIN-UHFFFAOYSA-N 0 0 501.977 4.586 50 0 KJAARN O=S(=O)(c1nnn2c3ccsc3c(NCCc3ccccc3)nc12)c1ccc(Br)cc1 ZINC000008589495 553081219 /nfs/dbraw/zinc/08/12/19/553081219.db2.gz JRILGVQCEUUWKT-UHFFFAOYSA-N 0 0 514.430 4.589 50 0 KJAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3cccs3)nc12)c1ccc(Br)cc1 ZINC000008589516 553081208 /nfs/dbraw/zinc/08/12/08/553081208.db2.gz DFWASXVSYVOHJH-UHFFFAOYSA-N 0 0 506.432 4.608 50 0 KJAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)c(OC)c1 ZINC000008589539 553081224 /nfs/dbraw/zinc/08/12/24/553081224.db2.gz XJFZEAAYGWNHHO-UHFFFAOYSA-N 0 0 546.428 4.695 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)nc2-c2ccc(OC)cc2)cc1 ZINC000008589906 553081490 /nfs/dbraw/zinc/08/14/90/553081490.db2.gz GSHOBVAWVXXCJH-UHFFFAOYSA-N 0 0 546.649 4.691 50 0 biogenic KJAARN COc1ccc(C(=O)C[C@]2(O)c3cc(Br)ccc3N(CCc3ccccc3)C2=O)cc1OC ZINC000008590034 553081477 /nfs/dbraw/zinc/08/14/77/553081477.db2.gz GACYSSXNAFFNQK-SANMLTNESA-N 0 0 510.384 4.516 50 0 KJAARN COc1ccc(C(=O)C[C@@]2(O)c3cc(Br)ccc3N(CCc3ccccc3)C2=O)cc1OC ZINC000008590035 553081522 /nfs/dbraw/zinc/08/15/22/553081522.db2.gz GACYSSXNAFFNQK-AREMUKBSSA-N 0 0 510.384 4.516 50 0 KJAARN CCOc1cccc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC ZINC000008590058 553081797 /nfs/dbraw/zinc/08/17/97/553081797.db2.gz BFKJLIYGWNNJRG-UHFFFAOYSA-N 0 0 538.648 4.870 50 0 KJAARN CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc2N)cc1 ZINC000008590427 553081724 /nfs/dbraw/zinc/08/17/24/553081724.db2.gz VYIICULSUIWBRF-UHFFFAOYSA-N 0 0 510.563 4.765 50 0 KJAARN COc1ccc(CCNC(=O)Cn2cc(S(=O)(=O)Cc3cccc(Cl)c3)c3ccccc32)cc1OC ZINC000008590466 553082036 /nfs/dbraw/zinc/08/20/36/553082036.db2.gz HYGHERGGTDSOPM-UHFFFAOYSA-N 0 0 527.042 4.645 50 0 KJAARN O=S(=O)(c1ccc(-c2cs/c(=N\c3ccc(OC(F)(F)Cl)cc3)n2CCCO)cc1)N1CCCC1 ZINC000008590596 553082038 /nfs/dbraw/zinc/08/20/38/553082038.db2.gz PLLSZBJMFPPUAN-QYQHSDTDSA-N 0 0 544.045 4.784 50 0 KJAARN COc1ccc(CCNC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3Cl)c3ccccc32)cc1OC ZINC000008590649 553081998 /nfs/dbraw/zinc/08/19/98/553081998.db2.gz XFZSKQXFKJNUOJ-UHFFFAOYSA-N 0 0 527.042 4.645 50 0 KJAARN CCOCCCNC(=O)[C@@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000008591176 553082043 /nfs/dbraw/zinc/08/20/43/553082043.db2.gz ODVMOUQZMBTVKH-AREMUKBSSA-N 0 0 507.656 4.941 50 0 KJAARN CCOCCCNC(=O)[C@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000008591177 553081989 /nfs/dbraw/zinc/08/19/89/553081989.db2.gz ODVMOUQZMBTVKH-SANMLTNESA-N 0 0 507.656 4.941 50 0 KJAARN CCOCCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000008591204 553082025 /nfs/dbraw/zinc/08/20/25/553082025.db2.gz QTYYSYKOILJQPO-AREMUKBSSA-N 0 0 523.655 4.642 50 0 KJAARN CCOCCCNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000008591205 553082030 /nfs/dbraw/zinc/08/20/30/553082030.db2.gz QTYYSYKOILJQPO-SANMLTNESA-N 0 0 523.655 4.642 50 0 KJAARN CCOCCCNC(=O)[C@@H](c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(C)=O)cc1 ZINC000008591222 553082262 /nfs/dbraw/zinc/08/22/62/553082262.db2.gz MDCFQDIHENFTKO-GDLZYMKVSA-N 0 0 545.636 4.609 50 0 KJAARN CCOCCCNC(=O)[C@H](c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(C)=O)cc1 ZINC000008591224 553082266 /nfs/dbraw/zinc/08/22/66/553082266.db2.gz MDCFQDIHENFTKO-LJAQVGFWSA-N 0 0 545.636 4.609 50 0 KJAARN CCOCCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1O ZINC000008591228 553082285 /nfs/dbraw/zinc/08/22/85/553082285.db2.gz WPLKDPVLIQLEKA-AREMUKBSSA-N 0 0 525.001 4.701 50 0 KJAARN CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1O ZINC000008591229 553082213 /nfs/dbraw/zinc/08/22/13/553082213.db2.gz WPLKDPVLIQLEKA-SANMLTNESA-N 0 0 525.001 4.701 50 0 KJAARN CCOCCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(C)=O)cc1 ZINC000008591230 553082253 /nfs/dbraw/zinc/08/22/53/553082253.db2.gz GRFSMDRNHGETKW-MUUNZHRXSA-N 0 0 566.054 4.954 50 0 KJAARN CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(C)=O)cc1 ZINC000008591231 553082270 /nfs/dbraw/zinc/08/22/70/553082270.db2.gz GRFSMDRNHGETKW-NDEPHWFRSA-N 0 0 566.054 4.954 50 0 KJAARN COc1ccc(NC(=O)CSc2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000008591734 553082692 /nfs/dbraw/zinc/08/26/92/553082692.db2.gz HAYCFOBXVPZDHP-UHFFFAOYSA-N 0 0 516.622 4.984 50 0 KJAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000008591762 553082736 /nfs/dbraw/zinc/08/27/36/553082736.db2.gz KIUCACYSQKBKBD-HXUWFJFHSA-N 0 0 505.981 4.624 50 0 KJAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000008591764 553082699 /nfs/dbraw/zinc/08/26/99/553082699.db2.gz KIUCACYSQKBKBD-FQEVSTJZSA-N 0 0 505.981 4.624 50 0 KJAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000008591767 553082895 /nfs/dbraw/zinc/08/28/95/553082895.db2.gz ZTRHAMLQQRHHGK-FQEVSTJZSA-N 0 0 505.981 4.624 50 0 KJAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 ZINC000008591769 553082948 /nfs/dbraw/zinc/08/29/48/553082948.db2.gz ZTRHAMLQQRHHGK-HXUWFJFHSA-N 0 0 505.981 4.624 50 0 KJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1CC(=O)NCCC1=CCCCC1)n2C ZINC000008591945 553083191 /nfs/dbraw/zinc/08/31/91/553083191.db2.gz VFTRRHNYSWCTFF-UHFFFAOYSA-N 0 0 505.018 4.613 50 0 KJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1CC(=O)Nc1c(C)cccc1C)n2C ZINC000008591947 553083175 /nfs/dbraw/zinc/08/31/75/553083175.db2.gz WVBCXFDPQZNLOE-UHFFFAOYSA-N 0 0 500.986 4.861 50 0 KJAARN CCc1cccc(NC(=O)Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3cccc(Cl)c3)c2=O)c1 ZINC000008591948 553083162 /nfs/dbraw/zinc/08/31/62/553083162.db2.gz DYYZIBUBSIUFOF-UHFFFAOYSA-N 0 0 500.986 4.807 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3cccc(C)c3)c2=O)cc1Cl ZINC000008591979 553083174 /nfs/dbraw/zinc/08/31/74/553083174.db2.gz CISDXADIKPNJID-UHFFFAOYSA-N 0 0 516.985 4.562 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccc(OC)c2)c1 ZINC000008592035 553083320 /nfs/dbraw/zinc/08/33/20/553083320.db2.gz SZVYJYBRFWXZDF-RUZDIDTESA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccc(OC)c2)c1 ZINC000008592037 553083343 /nfs/dbraw/zinc/08/33/43/553083343.db2.gz SZVYJYBRFWXZDF-VWLOTQADSA-N 0 0 515.566 4.547 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCc2ccncc2)cc1 ZINC000008592063 553083555 /nfs/dbraw/zinc/08/35/55/553083555.db2.gz XEPZGELOOZQWJW-XMMPIXPASA-N 0 0 506.990 4.933 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCc2ccncc2)cc1 ZINC000008592065 553083590 /nfs/dbraw/zinc/08/35/90/553083590.db2.gz XEPZGELOOZQWJW-DEOSSOPVSA-N 0 0 506.990 4.933 50 0 KJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F)n2C ZINC000008592069 553083516 /nfs/dbraw/zinc/08/35/16/553083516.db2.gz KOOZFASIXVERLM-UHFFFAOYSA-N 0 0 520.511 4.918 50 0 KJAARN CCOc1ccc(NC(=O)Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000008592083 553083584 /nfs/dbraw/zinc/08/35/84/553083584.db2.gz ZUWJYHLSXQEBNZ-UHFFFAOYSA-N 0 0 516.985 4.643 50 0 KJAARN COc1cc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(SC)nn32)cc(OC)c1OC ZINC000008592280 553083737 /nfs/dbraw/zinc/08/37/37/553083737.db2.gz LSYYZUKYUHNSIT-IBGZPJMESA-N 0 0 501.996 4.607 50 0 KJAARN COc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(SC)nn32)cc(OC)c1OC ZINC000008592282 553083681 /nfs/dbraw/zinc/08/36/81/553083681.db2.gz LSYYZUKYUHNSIT-LJQANCHMSA-N 0 0 501.996 4.607 50 0 KJAARN COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4cccc(C)c4)ncc3S2(=O)=O)c1 ZINC000008592306 553083683 /nfs/dbraw/zinc/08/36/83/553083683.db2.gz JAZKPURBEBOHJW-UHFFFAOYSA-N 0 0 532.647 4.900 50 0 aggregator KJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)N2Cc3ccccc3C2=O)c1 ZINC000008592452 553084071 /nfs/dbraw/zinc/08/40/71/553084071.db2.gz LVPOZFFTUSALEU-QHCPKHFHSA-N 0 0 518.566 4.615 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)N2Cc3ccccc3C2=O)c1 ZINC000008592455 553084070 /nfs/dbraw/zinc/08/40/70/553084070.db2.gz LVPOZFFTUSALEU-HSZRJFAPSA-N 0 0 518.566 4.615 50 0 KJAARN COc1ccccc1CNC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(C)cc1)S2(=O)=O ZINC000008592644 553084259 /nfs/dbraw/zinc/08/42/59/553084259.db2.gz VEAPAUGZXKAMCY-UHFFFAOYSA-N 0 0 546.674 4.578 50 0 KJAARN CCn1cc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000008592660 553084233 /nfs/dbraw/zinc/08/42/33/553084233.db2.gz IISOKTDXXMZVBO-UHFFFAOYSA-N 0 0 501.534 4.719 50 0 KJAARN O=C(Cn1c2c3ccccc3sc2c(=O)n(Cc2ccc(F)cc2)c1=O)NCc1ccccc1Cl ZINC000008592680 553084253 /nfs/dbraw/zinc/08/42/53/553084253.db2.gz WSZJRGCBFMXQQS-UHFFFAOYSA-N 0 0 507.974 4.535 50 0 KJAARN COc1ccc(NC(=O)c2nnn(Cc3nc(-c4cc(Br)ccc4OC)oc3C)c2C)cc1 ZINC000008592695 553084217 /nfs/dbraw/zinc/08/42/17/553084217.db2.gz YJSIZYAOCLSSFJ-UHFFFAOYSA-N 0 0 512.364 4.630 50 0 KJAARN COc1ccc(NC(=O)c2nnn(Cc3nc(-c4cc(OC)c(OC)c(OC)c4)oc3C)c2C)cc1Cl ZINC000008592733 553084469 /nfs/dbraw/zinc/08/44/69/553084469.db2.gz XGGHKFPBCHBJMP-UHFFFAOYSA-N 0 0 527.965 4.538 50 0 KJAARN Cc1c(-c2nnc(SCC(=O)Nc3ccc(C)c(Br)c3)o2)nnn1-c1ccc(F)cc1 ZINC000008592737 553084450 /nfs/dbraw/zinc/08/44/50/553084450.db2.gz MDQOYQOWLWMICR-UHFFFAOYSA-N 0 0 503.357 4.567 50 0 KJAARN Cc1cc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)ccc1Br ZINC000008592853 553084456 /nfs/dbraw/zinc/08/44/56/553084456.db2.gz SWPVYQPSLCSOGC-UHFFFAOYSA-N 0 0 507.431 4.874 50 0 aggregator KJAARN CCc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccc(C)cc2)c1=O ZINC000008593028 553084796 /nfs/dbraw/zinc/08/47/96/553084796.db2.gz TYZZNZDANSCOAA-UHFFFAOYSA-N 0 0 546.693 4.611 50 0 KJAARN Cc1ccc(CNC(=O)CCCCCn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cc(C)cc3C)c2=O)cc1 ZINC000008593031 553084713 /nfs/dbraw/zinc/08/47/13/553084713.db2.gz BFSMLKMIVFOIJW-UHFFFAOYSA-N 0 0 560.720 4.974 50 0 KJAARN Cc1cc(C)c(Cn2c3ccsc3c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)c(C)c1 ZINC000008593191 553085165 /nfs/dbraw/zinc/08/51/65/553085165.db2.gz BPPNPMXXVFIRLO-UHFFFAOYSA-N 0 0 547.677 4.804 50 0 KJAARN Cc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccccc2Cl)c1=O ZINC000008593267 553085221 /nfs/dbraw/zinc/08/52/21/553085221.db2.gz AYYNYAAKQRSQKC-UHFFFAOYSA-N 0 0 553.084 4.702 50 0 KJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)c3ccc(Br)cc3)c2=O)CCC4)cc1 ZINC000008593334 553085343 /nfs/dbraw/zinc/08/53/43/553085343.db2.gz HEXQIYSDTBTMCD-UHFFFAOYSA-N 0 0 509.425 4.910 50 0 KJAARN O=C(CCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O)NCCc1ccc(Cl)cc1 ZINC000008593341 553085371 /nfs/dbraw/zinc/08/53/71/553085371.db2.gz BYGBPAPEOJNQJU-UHFFFAOYSA-N 0 0 510.421 4.657 50 0 KJAARN O=C(CCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCCc1ccc(Cl)cc1 ZINC000008593344 553085335 /nfs/dbraw/zinc/08/53/35/553085335.db2.gz ZWOAZCAOMUHNPG-UHFFFAOYSA-N 0 0 528.411 4.797 50 0 KJAARN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(CCCC(=O)NCCc3ccc(Cl)cc3)c2=O)c1 ZINC000008593347 553085376 /nfs/dbraw/zinc/08/53/76/553085376.db2.gz RYZZBGWKYIDUKM-UHFFFAOYSA-N 0 0 504.030 4.621 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4ccccc4Cl)c3=O)cc2)cc1OC ZINC000008593526 553085835 /nfs/dbraw/zinc/08/58/35/553085835.db2.gz REIHHXZNRUXBQH-UHFFFAOYSA-N 0 0 584.072 4.903 50 0 biogenic KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4cccc(Cl)c4)c3=O)cc2)cc1OC ZINC000008593530 553085836 /nfs/dbraw/zinc/08/58/36/553085836.db2.gz PYVWXELAPSMFFM-UHFFFAOYSA-N 0 0 584.072 4.903 50 0 biogenic KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4ccc(C)cc4)c3=O)cc2)cc1OC ZINC000008593536 553085843 /nfs/dbraw/zinc/08/58/43/553085843.db2.gz HDBDEPGTSBINCX-UHFFFAOYSA-N 0 0 563.654 4.558 50 0 biogenic KJAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000008593587 553085971 /nfs/dbraw/zinc/08/59/71/553085971.db2.gz KWGYDHXODIKWTL-UHFFFAOYSA-N 0 0 547.055 4.504 50 0 KJAARN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccccc3Cl)c2=O)c1 ZINC000008593589 553086014 /nfs/dbraw/zinc/08/60/14/553086014.db2.gz XZJPAEYOEUYLEZ-UHFFFAOYSA-N 0 0 504.030 4.968 50 0 KJAARN Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccccc3Cl)c2=O)c(C)c1 ZINC000008593618 553086028 /nfs/dbraw/zinc/08/60/28/553086028.db2.gz CTADEISYMJHXAN-UHFFFAOYSA-N 0 0 561.082 4.867 50 0 KJAARN COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(Cc3ccc(F)cc3Cl)c2=O)cc1OC ZINC000008593661 553086322 /nfs/dbraw/zinc/08/63/22/553086322.db2.gz YDHGQCKJKQAULW-UHFFFAOYSA-N 0 0 568.045 4.550 50 0 KJAARN COc1ccccc1CNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2c(C)cc(C)cc2C)c1=O ZINC000008593717 553086480 /nfs/dbraw/zinc/08/64/80/553086480.db2.gz LDGJWQLYLKWPJI-UHFFFAOYSA-N 0 0 513.638 4.632 50 0 KJAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c1=O ZINC000008593822 553086615 /nfs/dbraw/zinc/08/66/15/553086615.db2.gz DRKBYCBYUPIZNY-UHFFFAOYSA-N 0 0 566.702 4.584 50 0 KJAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000008593831 553086601 /nfs/dbraw/zinc/08/66/01/553086601.db2.gz YBWMPHXWEHKBQE-UHFFFAOYSA-N 0 0 571.008 4.573 50 0 KJAARN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c2=O)c1C ZINC000008593876 553086926 /nfs/dbraw/zinc/08/69/26/553086926.db2.gz XBNUFYJMAXOUDQ-UHFFFAOYSA-N 0 0 566.702 4.584 50 0 KJAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1 ZINC000008593881 553086899 /nfs/dbraw/zinc/08/68/99/553086899.db2.gz RRUYVJUBSPKZKA-UHFFFAOYSA-N 0 0 576.531 4.641 50 0 KJAARN CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c2=O)c1 ZINC000008593893 553086897 /nfs/dbraw/zinc/08/68/97/553086897.db2.gz DLRNCZQGQGMTOU-UHFFFAOYSA-N 0 0 566.702 4.530 50 0 KJAARN CCOc1ccc(OCC)c(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)c1 ZINC000008593895 553086882 /nfs/dbraw/zinc/08/68/82/553086882.db2.gz AZXQALFSWSNZLN-NRFANRHFSA-N 0 0 539.473 4.966 50 0 KJAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c1=O ZINC000008593896 553086894 /nfs/dbraw/zinc/08/68/94/553086894.db2.gz KHLSMIVJYAWVDO-UHFFFAOYSA-N 0 0 566.702 4.530 50 0 KJAARN Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)ccc1Br ZINC000008593906 553086929 /nfs/dbraw/zinc/08/69/29/553086929.db2.gz RTLAUCGCVPJPML-UHFFFAOYSA-N 0 0 522.284 4.621 50 0 KJAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)ccc1Br ZINC000008593978 553087147 /nfs/dbraw/zinc/08/71/47/553087147.db2.gz GKJNGIUPHMMUIA-GFCCVEGCSA-N 0 0 522.284 4.621 50 0 aggregator KJAARN Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)ccc1Br ZINC000008593979 553087122 /nfs/dbraw/zinc/08/71/22/553087122.db2.gz GKJNGIUPHMMUIA-LBPRGKRZSA-N 0 0 522.284 4.621 50 0 aggregator KJAARN Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(C)cc4C)c3=O)cc2)cc1 ZINC000008593997 553087160 /nfs/dbraw/zinc/08/71/60/553087160.db2.gz WSTBYGCYWVWRPD-UHFFFAOYSA-N 0 0 560.654 4.705 50 0 aggregator KJAARN O=C(NCc1ccccc1Cl)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000008594045 553087127 /nfs/dbraw/zinc/08/71/27/553087127.db2.gz DUWWJKKKJDFJTL-UHFFFAOYSA-N 0 0 505.887 4.565 50 0 KJAARN CCOc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000008594054 553087441 /nfs/dbraw/zinc/08/74/41/553087441.db2.gz SVJMWKBEUOGZGT-UHFFFAOYSA-N 0 0 501.468 4.633 50 0 aggregator KJAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NC4CCCCC4)C(=O)N32)cc1Cl ZINC000008594853 553088094 /nfs/dbraw/zinc/08/80/94/553088094.db2.gz GMSOEAZYTCFZBI-JOCHJYFZSA-N 0 0 568.099 4.908 50 0 KJAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NC4CCCCC4)C(=O)N32)cc1Cl ZINC000008594854 553088076 /nfs/dbraw/zinc/08/80/76/553088076.db2.gz GMSOEAZYTCFZBI-QFIPXVFZSA-N 0 0 568.099 4.908 50 0 KJAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(Cl)c3)N2C1=O)NC1CCCCC1 ZINC000008594856 553088070 /nfs/dbraw/zinc/08/80/70/553088070.db2.gz RCYPGMQGBKWKDQ-JOCHJYFZSA-N 0 0 538.073 4.900 50 0 KJAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(Cl)c3)N2C1=O)NC1CCCCC1 ZINC000008594857 553088041 /nfs/dbraw/zinc/08/80/41/553088041.db2.gz RCYPGMQGBKWKDQ-QFIPXVFZSA-N 0 0 538.073 4.900 50 0 KJAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1Cl ZINC000008594889 553088054 /nfs/dbraw/zinc/08/80/54/553088054.db2.gz URTWCELWECFTLJ-HSZRJFAPSA-N 0 0 594.068 4.915 50 0 KJAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1Cl ZINC000008594891 553088189 /nfs/dbraw/zinc/08/81/89/553088189.db2.gz URTWCELWECFTLJ-QHCPKHFHSA-N 0 0 594.068 4.915 50 0 KJAARN Cc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccc(F)cc4)C(=O)N32)c1 ZINC000008594893 553088268 /nfs/dbraw/zinc/08/82/68/553088268.db2.gz DOWZLBMSYIWMHV-DEOSSOPVSA-N 0 0 543.624 4.561 50 0 KJAARN 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CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccccc4)CC3)cnn2-c2ccccc2)CC1 ZINC000008597190 553092202 /nfs/dbraw/zinc/09/22/02/553092202.db2.gz LMRCDTOGLASCIA-UHFFFAOYSA-N 0 0 515.658 4.949 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000008597195 553092143 /nfs/dbraw/zinc/09/21/43/553092143.db2.gz KMYXOKJSCJIUDQ-DIPNUNPCSA-N 0 0 510.571 4.672 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000008597197 553092164 /nfs/dbraw/zinc/09/21/64/553092164.db2.gz KMYXOKJSCJIUDQ-QNGWXLTQSA-N 0 0 510.571 4.672 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008597215 553092149 /nfs/dbraw/zinc/09/21/49/553092149.db2.gz WZQPMGNZLMYOMH-UHFFFAOYSA-N 0 0 561.630 4.616 50 0 KJAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2-c2ccc(F)cc2F)CC1 ZINC000008597237 553092136 /nfs/dbraw/zinc/09/21/36/553092136.db2.gz QHYQVNKQCCNEIC-UHFFFAOYSA-N 0 0 540.567 4.924 50 0 KJAARN CCN1c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000008597247 553092464 /nfs/dbraw/zinc/09/24/64/553092464.db2.gz GXTMBOCJEJNZRP-PGUFJCEWSA-N 0 0 508.043 4.758 50 0 KJAARN CCN1c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2[S@](=O)c2ccccc2C1=O ZINC000008597248 553092505 /nfs/dbraw/zinc/09/25/05/553092505.db2.gz GXTMBOCJEJNZRP-DHUJRADRSA-N 0 0 508.043 4.758 50 0 KJAARN COc1ccc(OC)c(CCNC(=O)c2cnn(-c3ccccc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000008597265 553092470 /nfs/dbraw/zinc/09/24/70/553092470.db2.gz YGUOAXLWNFZJHR-UHFFFAOYSA-N 0 0 534.657 4.977 50 0 KJAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccccn4)CC3)cnn2-c2ccc(F)cc2F)CC1 ZINC000008597273 553092443 /nfs/dbraw/zinc/09/24/43/553092443.db2.gz JBMBQKKBXQQURS-UHFFFAOYSA-N 0 0 552.626 4.622 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccccc2C)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000008597321 553092481 /nfs/dbraw/zinc/09/24/81/553092481.db2.gz CHSWNFMQTBAGPE-LDLOPFEMSA-N 0 0 545.661 4.673 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccccc2C)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000008597323 553092431 /nfs/dbraw/zinc/09/24/31/553092431.db2.gz CHSWNFMQTBAGPE-KDXMTYKHSA-N 0 0 545.661 4.673 50 0 KJAARN Cc1ccccc1CN1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2[S@@](=O)c2ccccc2C1=O ZINC000008597332 553092485 /nfs/dbraw/zinc/09/24/85/553092485.db2.gz LPHICRIEVZCGCG-KXQOOQHDSA-N 0 0 524.598 4.981 50 0 KJAARN Cc1ccccc1CN1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2[S@](=O)c2ccccc2C1=O ZINC000008597333 553092439 /nfs/dbraw/zinc/09/24/39/553092439.db2.gz LPHICRIEVZCGCG-LHEWISCISA-N 0 0 524.598 4.981 50 0 KJAARN Cc1cccc(C)c1-n1ncc(C(=O)N2CCN(c3ccccn3)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008597334 553092488 /nfs/dbraw/zinc/09/24/88/553092488.db2.gz PCXRPBMEMWAFLZ-UHFFFAOYSA-N 0 0 544.700 4.961 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)C(=O)c2ccccc2S3(=O)=O)cc1OC ZINC000008597400 553092802 /nfs/dbraw/zinc/09/28/02/553092802.db2.gz XVJFHXYJSYXECB-UHFFFAOYSA-N 0 0 570.667 4.978 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008597406 553092794 /nfs/dbraw/zinc/09/27/94/553092794.db2.gz CEWBWDQUFKZXDF-UHFFFAOYSA-N 0 0 526.614 4.927 50 0 aggregator KJAARN COc1ccc(-n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597483 553093074 /nfs/dbraw/zinc/09/30/74/553093074.db2.gz AVZKKISPNNMDHB-UHFFFAOYSA-N 0 0 534.613 4.654 50 0 KJAARN Cc1c(Cl)cccc1-n1ncc(C(=O)N2CCN(c3ncccn3)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008597502 553093282 /nfs/dbraw/zinc/09/32/82/553093282.db2.gz NNFGZRAUXYSASU-UHFFFAOYSA-N 0 0 566.106 4.701 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2ccccn2)CC1 ZINC000008597507 553093327 /nfs/dbraw/zinc/09/33/27/553093327.db2.gz ZUNBETAEKBZSBK-UHFFFAOYSA-N 0 0 573.074 4.691 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008597514 553093358 /nfs/dbraw/zinc/09/33/58/553093358.db2.gz UVCCABZNYFYKLA-UHFFFAOYSA-N 0 0 553.704 4.954 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000008597530 553093373 /nfs/dbraw/zinc/09/33/73/553093373.db2.gz BTQCJAQWQMIGPL-GFBRJQHFSA-N 0 0 534.609 4.568 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000008597532 553093342 /nfs/dbraw/zinc/09/33/42/553093342.db2.gz BTQCJAQWQMIGPL-CHZMNLISSA-N 0 0 534.609 4.568 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@]3=O)C1 ZINC000008597533 553093291 /nfs/dbraw/zinc/09/32/91/553093291.db2.gz BTQCJAQWQMIGPL-JDLYIZNLSA-N 0 0 534.609 4.568 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@]3=O)C1 ZINC000008597535 553093325 /nfs/dbraw/zinc/09/33/25/553093325.db2.gz BTQCJAQWQMIGPL-SEYIBYQZSA-N 0 0 534.609 4.568 50 0 KJAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597561 553093346 /nfs/dbraw/zinc/09/33/46/553093346.db2.gz FFRSMFMTBZGNDP-UHFFFAOYSA-N 0 0 530.673 4.653 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)CC1 ZINC000008597581 553093371 /nfs/dbraw/zinc/09/33/71/553093371.db2.gz MOACOAFXYZLXOV-UHFFFAOYSA-N 0 0 582.078 4.684 50 0 KJAARN O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000008597583 553093299 /nfs/dbraw/zinc/09/32/99/553093299.db2.gz UCQBQTZALSAFTQ-UHFFFAOYSA-N 0 0 506.967 4.856 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000008597635 553093521 /nfs/dbraw/zinc/09/35/21/553093521.db2.gz MGLSEQWKTQIQFF-KXQOOQHDSA-N 0 0 528.561 4.812 50 0 aggregator KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000008597637 553093553 /nfs/dbraw/zinc/09/35/53/553093553.db2.gz MGLSEQWKTQIQFF-LHEWISCISA-N 0 0 528.561 4.812 50 0 aggregator KJAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597717 553093779 /nfs/dbraw/zinc/09/37/79/553093779.db2.gz OMZGMCRNYYCXIL-UHFFFAOYSA-N 0 0 544.700 4.961 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2ccccc2F)CC1 ZINC000008597738 553093801 /nfs/dbraw/zinc/09/38/01/553093801.db2.gz FNXCYEVQJWMXJA-UHFFFAOYSA-N 0 0 573.621 4.920 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)cc1OC ZINC000008597751 553093783 /nfs/dbraw/zinc/09/37/83/553093783.db2.gz WRLBZPWGRATTJG-UHFFFAOYSA-N 0 0 574.630 4.809 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000008597753 553093860 /nfs/dbraw/zinc/09/38/60/553093860.db2.gz VBMOBURYHJTGNN-LDLOPFEMSA-N 0 0 549.624 4.504 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000008597755 553093998 /nfs/dbraw/zinc/09/39/98/553093998.db2.gz VBMOBURYHJTGNN-KDXMTYKHSA-N 0 0 549.624 4.504 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000008597761 553094022 /nfs/dbraw/zinc/09/40/22/553094022.db2.gz FGIXDEGBPSHQIH-LHEWISCISA-N 0 0 528.561 4.812 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000008597763 553094042 /nfs/dbraw/zinc/09/40/42/553094042.db2.gz FGIXDEGBPSHQIH-KXQOOQHDSA-N 0 0 528.561 4.812 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000008597776 553094122 /nfs/dbraw/zinc/09/41/22/553094122.db2.gz DNXHGPIBAIPAOW-KDXMTYKHSA-N 0 0 545.661 4.545 50 0 KJAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)cc1 ZINC000008597794 553094141 /nfs/dbraw/zinc/09/41/41/553094141.db2.gz OMJGKWFGZQKULW-UHFFFAOYSA-N 0 0 530.577 4.758 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000008597851 553094314 /nfs/dbraw/zinc/09/43/14/553094314.db2.gz YBAXFDGSELKOPI-RRHRGVEJSA-N 0 0 559.688 4.981 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000008597852 553094383 /nfs/dbraw/zinc/09/43/83/553094383.db2.gz YBAXFDGSELKOPI-FAIXQHPJSA-N 0 0 559.688 4.981 50 0 KJAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccccn4)CC3)cnn2-c2ccccc2Cl)CC1 ZINC000008597872 553094310 /nfs/dbraw/zinc/09/43/10/553094310.db2.gz TWFCWQUEJQUFAB-UHFFFAOYSA-N 0 0 551.091 4.998 50 0 KJAARN Cc1cccc(-n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000008597914 553094361 /nfs/dbraw/zinc/09/43/61/553094361.db2.gz BLHMQSJLORIDTM-UHFFFAOYSA-N 0 0 518.614 4.954 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3(=O)=O)cc1OC ZINC000008597949 553094675 /nfs/dbraw/zinc/09/46/75/553094675.db2.gz ZFGXXXRTLYZMJG-UHFFFAOYSA-N 0 0 574.630 4.809 50 0 KJAARN O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000008597952 553094685 /nfs/dbraw/zinc/09/46/85/553094685.db2.gz ABSGAYKPOYYACP-UHFFFAOYSA-N 0 0 514.578 4.791 50 0 KJAARN Cc1ccc(C)c(CN2c3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000008598019 553094635 /nfs/dbraw/zinc/09/46/35/553094635.db2.gz HULZMOUXTWVJES-UHFFFAOYSA-N 0 0 566.683 4.654 50 0 KJAARN 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COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCN(c5cccc(Cl)c5)CC4)c(C)n3n2)c(OC)c1 ZINC000008598857 553095058 /nfs/dbraw/zinc/09/50/58/553095058.db2.gz YMCRNICSAVZTDG-UHFFFAOYSA-N 0 0 534.060 4.965 50 0 KJAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCN(c5cc(C)ccc5C)CC4)c(C)n3n2)c(OC)c1 ZINC000008598871 553095165 /nfs/dbraw/zinc/09/51/65/553095165.db2.gz JQHPYIFAAOZVFI-UHFFFAOYSA-N 0 0 527.669 4.929 50 0 KJAARN COCCNC(=O)CCCn1c(SCC(=O)c2ccc(Br)cc2)nc2c3ccccc3sc2c1=O ZINC000008599236 553095287 /nfs/dbraw/zinc/09/52/87/553095287.db2.gz FCEMCYFHLJYUOF-UHFFFAOYSA-N 0 0 574.522 4.892 50 0 KJAARN Cc1ccc(C(=O)CSc2nc3cc(C(=O)NC4CCCC4)ccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000008599372 553095272 /nfs/dbraw/zinc/09/52/72/553095272.db2.gz HCEFWKRWWOOVGW-QFIPXVFZSA-N 0 0 505.640 4.531 50 0 KJAARN Cc1ccc(C(=O)CSc2nc3cc(C(=O)NC4CCCC4)ccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000008599377 553095277 /nfs/dbraw/zinc/09/52/77/553095277.db2.gz HCEFWKRWWOOVGW-JOCHJYFZSA-N 0 0 505.640 4.531 50 0 KJAARN 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Cc1cccc(C)c1NC(=O)c1nc(S(C)(=O)=O)ncc1N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000008614086 553101710 /nfs/dbraw/zinc/10/17/10/553101710.db2.gz QQGMZCNQANRKJW-UHFFFAOYSA-N 0 0 508.575 4.688 50 0 KJAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2cccc(F)c2)cc1C ZINC000008614089 553101768 /nfs/dbraw/zinc/10/17/68/553101768.db2.gz UVPFPTLFEDMDBD-UHFFFAOYSA-N 0 0 508.575 4.688 50 0 aggregator KJAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccccc2F)c(C)c1 ZINC000008614090 553101784 /nfs/dbraw/zinc/10/17/84/553101784.db2.gz DKIQISMNERPAJP-UHFFFAOYSA-N 0 0 508.575 4.688 50 0 KJAARN Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(Br)cc2)o1 ZINC000008614096 553101930 /nfs/dbraw/zinc/10/19/30/553101930.db2.gz HIYOUWYQRCENKK-UHFFFAOYSA-N 0 0 545.415 4.596 50 0 KJAARN Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2Br)o1 ZINC000008614105 553101921 /nfs/dbraw/zinc/10/19/21/553101921.db2.gz OVNZSNBELYYVFI-UHFFFAOYSA-N 0 0 545.415 4.596 50 0 aggregator KJAARN Cc1ccsc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(Cl)cc1 ZINC000008614114 553102014 /nfs/dbraw/zinc/10/20/14/553102014.db2.gz MWJYJLDLOAEGQG-UHFFFAOYSA-N 0 0 517.032 4.956 50 0 aggregator KJAARN CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(C)c2)cc1 ZINC000008614117 553102011 /nfs/dbraw/zinc/10/20/11/553102011.db2.gz IXLPFJZOQTWSEO-UHFFFAOYSA-N 0 0 504.612 4.803 50 0 aggregator KJAARN COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000008614164 553101961 /nfs/dbraw/zinc/10/19/61/553101961.db2.gz FHFLLXUYHAONLM-UHFFFAOYSA-N 0 0 520.611 4.558 50 0 KJAARN COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000008614165 553102010 /nfs/dbraw/zinc/10/20/10/553102010.db2.gz PXEXHYWFPVBSCK-UHFFFAOYSA-N 0 0 520.611 4.558 50 0 KJAARN COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000008614166 553102016 /nfs/dbraw/zinc/10/20/16/553102016.db2.gz VPFJFUUJEQCCRO-UHFFFAOYSA-N 0 0 541.029 4.903 50 0 KJAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000008614169 553102027 /nfs/dbraw/zinc/10/20/27/553102027.db2.gz HIGHEROITCAMFH-UHFFFAOYSA-N 0 0 530.528 4.951 50 0 KJAARN COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(C)cc2)cc1Cl ZINC000008614170 553102008 /nfs/dbraw/zinc/10/20/08/553102008.db2.gz ABWSZOSQZJXYQN-UHFFFAOYSA-N 0 0 541.029 4.903 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)c1nc(S(C)(=O)=O)ncc1N(Cc1ccco1)Cc1ccc(C)cc1 ZINC000008614171 553101989 /nfs/dbraw/zinc/10/19/89/553101989.db2.gz RCZUXFMFWPDEFJ-UHFFFAOYSA-N 0 0 541.029 4.903 50 0 aggregator KJAARN COc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000008614187 553101917 /nfs/dbraw/zinc/10/19/17/553101917.db2.gz LWHNVLZWDBKENV-UHFFFAOYSA-N 0 0 541.029 4.903 50 0 aggregator KJAARN COc1cc(C(=O)Nc2ccc(-n3nc(C)cc3OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC ZINC000008616818 553102760 /nfs/dbraw/zinc/10/27/60/553102760.db2.gz XFLOIHVEQOBMMF-UHFFFAOYSA-N 0 0 577.590 4.704 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)CC1 ZINC000008617329 553102650 /nfs/dbraw/zinc/10/26/50/553102650.db2.gz BVDOCCRCSSUDCH-UHFFFAOYSA-N 0 0 502.615 4.809 50 0 KJAARN Cn1c(CSc2ccnc3cc(Cl)ccc32)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000008618188 553103018 /nfs/dbraw/zinc/10/30/18/553103018.db2.gz QLCCUNQVFVLOBQ-UHFFFAOYSA-N 0 0 525.103 4.750 50 0 KJAARN COC(=O)c1cnc(N2CCCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)nc1C(F)(F)F ZINC000008618253 553103016 /nfs/dbraw/zinc/10/30/16/553103016.db2.gz PJULZBVBEFXFOP-UHFFFAOYSA-N 0 0 529.519 4.605 50 0 KJAARN O=C(OC[C@H]1CCCO1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008619136 553103027 /nfs/dbraw/zinc/10/30/27/553103027.db2.gz MCAPFYAMFPULTI-HXUWFJFHSA-N 0 0 511.983 4.669 50 0 KJAARN COc1ccc(CNC(=O)CSc2ncc3c(n2)-c2ccc(Cl)cc2N(Cc2ccccc2)S3(=O)=O)cc1 ZINC000008619299 553103180 /nfs/dbraw/zinc/10/31/80/553103180.db2.gz VSOREIIUUHSIRV-UHFFFAOYSA-N 0 0 567.092 4.923 50 0 KJAARN COc1ccccc1CNC(=O)CSc1ncc2c(n1)-c1ccc(Cl)cc1N(Cc1ccccc1)S2(=O)=O ZINC000008619305 553103276 /nfs/dbraw/zinc/10/32/76/553103276.db2.gz XPBDUUCZPUYOEO-UHFFFAOYSA-N 0 0 567.092 4.923 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1cc(Cl)ccc1N(Cc1ccccc1)S2(=O)=O)NCc1ccccc1 ZINC000008619348 553103190 /nfs/dbraw/zinc/10/31/90/553103190.db2.gz UOLJLNIEPMTCMG-UHFFFAOYSA-N 0 0 537.066 4.914 50 0 KJAARN COc1ccc(CNC(=O)CSc2ncc3c(n2)-c2cc(Cl)ccc2N(Cc2ccccc2)S3(=O)=O)cc1 ZINC000008619355 553103230 /nfs/dbraw/zinc/10/32/30/553103230.db2.gz XHBDCOHXMVHOKF-UHFFFAOYSA-N 0 0 567.092 4.923 50 0 KJAARN COc1ccccc1CNC(=O)CSc1ncc2c(n1)-c1cc(Cl)ccc1N(Cc1ccccc1)S2(=O)=O ZINC000008619359 553103220 /nfs/dbraw/zinc/10/32/20/553103220.db2.gz FIMBMULOCOTSIP-UHFFFAOYSA-N 0 0 567.092 4.923 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1cc(Cl)ccc1N(Cc1ccccc1)S2(=O)=O)NCCc1ccccc1 ZINC000008619363 553103236 /nfs/dbraw/zinc/10/32/36/553103236.db2.gz JWAVHRWKZRUFLU-UHFFFAOYSA-N 0 0 551.093 4.957 50 0 KJAARN COc1ccc(CCNC(=O)CSc2ncc3c(n2)-c2cc(Cl)ccc2N(Cc2ccccc2)S3(=O)=O)cc1OC ZINC000008619398 553103232 /nfs/dbraw/zinc/10/32/32/553103232.db2.gz CDLZQGYFUTWNGB-UHFFFAOYSA-N 0 0 611.145 4.974 50 0 KJAARN COc1ccc(CNC(=O)CSc2ncc3c(n2)-c2cc(Cl)ccc2N(Cc2ccccc2)S3(=O)=O)cc1OC ZINC000008619402 553103193 /nfs/dbraw/zinc/10/31/93/553103193.db2.gz XGJOCGCORGVWOU-UHFFFAOYSA-N 0 0 597.118 4.932 50 0 KJAARN Cc1ccc(CN2c3ccccc3-c3nc(SCC(=O)NCc4ccccc4)ncc3S2(=O)=O)cc1 ZINC000008619408 553103212 /nfs/dbraw/zinc/10/32/12/553103212.db2.gz GSINJRXEBGQAAH-UHFFFAOYSA-N 0 0 516.648 4.569 50 0 KJAARN Cc1ccc(CN2c3ccccc3-c3nc(SCC(=O)NCCc4ccccc4)ncc3S2(=O)=O)cc1 ZINC000008619409 553103271 /nfs/dbraw/zinc/10/32/71/553103271.db2.gz FYZWVHYKTQUXSZ-UHFFFAOYSA-N 0 0 530.675 4.612 50 0 KJAARN COc1ccccc1NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1C)S2(=O)=O ZINC000008619426 553103248 /nfs/dbraw/zinc/10/32/48/553103248.db2.gz RCBKRHXGAVOCRX-UHFFFAOYSA-N 0 0 532.647 4.900 50 0 KJAARN Cc1ccccc1CN1c2ccccc2-c2nc(SCC(=O)NCc3ccccc3)ncc2S1(=O)=O ZINC000008619435 553103362 /nfs/dbraw/zinc/10/33/62/553103362.db2.gz UIOWJCLCQJNBJY-UHFFFAOYSA-N 0 0 516.648 4.569 50 0 KJAARN CC1(C)Cc2nc3sc4c(ncn(CC(=O)NC(c5ccccc5)c5ccccc5)c4=O)c3cc2CO1 ZINC000008622869 553103369 /nfs/dbraw/zinc/10/33/69/553103369.db2.gz XRZMVSYUKNSXCP-UHFFFAOYSA-N 0 0 510.619 4.763 50 0 KJAARN COc1cc(-c2ccc(NC(=O)CN3CCC(C)CC3)c(OC)c2)ccc1NC(=O)CN1CCC(C)CC1 ZINC000008623046 553103396 /nfs/dbraw/zinc/10/33/96/553103396.db2.gz IFTVHBUALUVCIO-UHFFFAOYSA-N 0 0 522.690 4.712 50 0 KJAARN COc1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2S(C)(=O)=O)cc1OC ZINC000008625091 553103764 /nfs/dbraw/zinc/10/37/64/553103764.db2.gz ZOILWPDMWFLXEX-QFIPXVFZSA-N 0 0 538.025 4.976 50 0 KJAARN COc1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2S(C)(=O)=O)cc1OC ZINC000008625094 553103769 /nfs/dbraw/zinc/10/37/69/553103769.db2.gz ZOILWPDMWFLXEX-JOCHJYFZSA-N 0 0 538.025 4.976 50 0 KJAARN CCCCCCOc1cccc(-n2c(-c3ccc(Cl)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000008625338 553103776 /nfs/dbraw/zinc/10/37/76/553103776.db2.gz PMYXWUPVOTWCAC-UHFFFAOYSA-N 0 0 506.006 4.955 50 0 biogenic KJAARN CCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)cc3)C(=O)c3cccc(F)c3)C2=O)cc1 ZINC000008628344 553104686 /nfs/dbraw/zinc/10/46/86/553104686.db2.gz JJMKRUDSFYIVFM-AREMUKBSSA-N 0 0 504.558 4.640 50 0 KJAARN CCOC(=O)C(C=Nc1cc(C(F)(F)F)ccc1NCCc1ccc(OC)c(OC)c1)C(=O)OCC ZINC000008629026 553104727 /nfs/dbraw/zinc/10/47/27/553104727.db2.gz RLEZIVXWRRWEFU-UHFFFAOYSA-N 0 0 510.509 4.799 50 0 KJAARN CCCCN1Cc2c(n(CC(=O)c3ccc(OC(F)(F)F)cc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000008636657 553105146 /nfs/dbraw/zinc/10/51/46/553105146.db2.gz FBKPRAAPSGUEKR-UHFFFAOYSA-N 0 0 524.499 4.700 50 0 KJAARN CCCCN1Cc2c(n(CC(=O)Nc3ccc(C(C)(C)C)cc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000008636662 553105143 /nfs/dbraw/zinc/10/51/43/553105143.db2.gz DVDCBZFXWHFEPM-UHFFFAOYSA-N 0 0 511.626 4.855 50 0 KJAARN O=C(C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OCc2ccccc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000008636676 553105180 /nfs/dbraw/zinc/10/51/80/553105180.db2.gz NYYLNHQZCNTWOJ-QHCPKHFHSA-N 0 0 527.408 4.934 50 0 KJAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(OCc2ccccc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000008636677 553105099 /nfs/dbraw/zinc/10/50/99/553105099.db2.gz NYYLNHQZCNTWOJ-HSZRJFAPSA-N 0 0 527.408 4.934 50 0 KJAARN CCCCOc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)cc1 ZINC000008636971 553105621 /nfs/dbraw/zinc/10/56/21/553105621.db2.gz HCKHQSHYSATFTJ-UHFFFAOYSA-N 0 0 503.386 4.760 50 0 KJAARN CCSC(SCC)[C@@H](O)[C@H](O)[C@H](OC(=O)c1ccccc1)[C@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 ZINC000008637065 553105990 /nfs/dbraw/zinc/10/59/90/553105990.db2.gz SZIKYYMSGGLVMW-YIPNQBBMSA-N 0 0 598.739 4.849 50 0 KJAARN CCOC(CN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(C)cc2)c1)S(=O)(=O)c1ccc(C)cc1)OCC ZINC000008647810 553106502 /nfs/dbraw/zinc/10/65/02/553106502.db2.gz WJBZWNGEUZFCJE-UHFFFAOYSA-N 0 0 577.721 4.670 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4cc(C)ccc4C)c3=O)cc2)cc1OC ZINC000008648280 553106827 /nfs/dbraw/zinc/10/68/27/553106827.db2.gz MSFOGTGFPYAWSO-UHFFFAOYSA-N 0 0 577.681 4.866 50 0 biogenic KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4cccc(C)c4)c3=O)cc2)cc1OC ZINC000008648281 553106751 /nfs/dbraw/zinc/10/67/51/553106751.db2.gz HQHKDQNJPLQLNL-UHFFFAOYSA-N 0 0 563.654 4.558 50 0 biogenic KJAARN Cc1ccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCc3ccc(Cl)cc3)c2=O)cc1 ZINC000008648285 553106991 /nfs/dbraw/zinc/10/69/91/553106991.db2.gz PZRGLIXOTUVIBJ-UHFFFAOYSA-N 0 0 504.030 4.703 50 0 KJAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCc3ccc(Cl)cc3)c2=O)cc1 ZINC000008648286 553106994 /nfs/dbraw/zinc/10/69/94/553106994.db2.gz MDQIFZUTKDTMJQ-UHFFFAOYSA-N 0 0 561.082 4.547 50 0 KJAARN CCOc1ccc(OCC)c(NC(=O)[C@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)c1 ZINC000008648288 553106962 /nfs/dbraw/zinc/10/69/62/553106962.db2.gz AZXQALFSWSNZLN-OAQYLSRUSA-N 0 0 539.473 4.966 50 0 KJAARN CC(C)OCCCNc1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008654561 553108266 /nfs/dbraw/zinc/10/82/66/553108266.db2.gz VKXURWKWNSEDCD-UHFFFAOYSA-N 0 0 515.078 4.689 50 0 KJAARN CCN(CC)CCCNc1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008654562 553108272 /nfs/dbraw/zinc/10/82/72/553108272.db2.gz MSBQMWGZDSWVSH-UHFFFAOYSA-N 0 0 528.121 4.606 50 0 KJAARN COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccccc1Cl ZINC000008654567 553108269 /nfs/dbraw/zinc/10/82/69/553108269.db2.gz ZLLBIUWGLQCXPU-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 aggregator KJAARN COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1cc(C)ccc1C ZINC000008654568 553108283 /nfs/dbraw/zinc/10/82/83/553108283.db2.gz PRKVIIMFHGMENU-UHFFFAOYSA-N 0 0 520.611 4.558 50 0 aggregator KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2)c(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000008654577 553108276 /nfs/dbraw/zinc/10/82/76/553108276.db2.gz VUWUVWOAPFJHHW-UHFFFAOYSA-N 0 0 504.612 4.939 50 0 aggregator KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000008655909 553108561 /nfs/dbraw/zinc/10/85/61/553108561.db2.gz DEDPOWKCMUNVBZ-QZTJIDSGSA-N 0 0 528.652 4.642 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000008655912 553108577 /nfs/dbraw/zinc/10/85/77/553108577.db2.gz DEDPOWKCMUNVBZ-ROUUACIJSA-N 0 0 528.652 4.642 50 0 KJAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)C34CC5CC(CC(C5)C3)C4)n2C2CCCCC2)s1 ZINC000008656663 553108525 /nfs/dbraw/zinc/10/85/25/553108525.db2.gz MAPHLUHADYUPMP-UHFFFAOYSA-N 0 0 529.736 4.507 50 0 KJAARN O=C(Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccc(Cl)cc3)c2)c2ccccc2c1=O)N1CCCCC1 ZINC000008666128 553109422 /nfs/dbraw/zinc/10/94/22/553109422.db2.gz CSJHFQKQFVJCTI-UHFFFAOYSA-N 0 0 586.092 4.818 50 0 KJAARN CCCn1c(CCC(=O)Nc2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008670592 553109889 /nfs/dbraw/zinc/10/98/89/553109889.db2.gz FMLXLNNANFBLGS-UHFFFAOYSA-N 0 0 546.693 4.629 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCCCC1)n2-c1ccc(OC)cc1 ZINC000008670814 553109970 /nfs/dbraw/zinc/10/99/70/553109970.db2.gz QTTLKCNFSUKVKI-UHFFFAOYSA-N 0 0 530.716 4.559 50 0 KJAARN COc1cccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2S(C)(=O)=O)c1OC ZINC000008671032 553110285 /nfs/dbraw/zinc/11/02/85/553110285.db2.gz UJXSFYFASSWSEQ-JOCHJYFZSA-N 0 0 538.025 4.976 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O ZINC000008671259 553110316 /nfs/dbraw/zinc/11/03/16/553110316.db2.gz PYAHKFKIRPNECN-SANMLTNESA-N 0 0 509.559 4.527 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O ZINC000008671260 553110272 /nfs/dbraw/zinc/11/02/72/553110272.db2.gz PYAHKFKIRPNECN-AREMUKBSSA-N 0 0 509.559 4.527 50 0 KJAARN CCOC(=O)[C@H](Cc1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000008672741 561706680 /nfs/dbraw/zinc/70/66/80/561706680.db2.gz YHKZOHRPIVLBFT-ZWBQBCQRSA-N 0 0 587.632 4.867 50 0 aggregator KJAARN Cc1ccccc1CN1c2ccccc2-c2nc(SCC(=O)NCCc3ccccc3)ncc2S1(=O)=O ZINC000008673231 553110968 /nfs/dbraw/zinc/11/09/68/553110968.db2.gz CZKGXUTZKVHREM-UHFFFAOYSA-N 0 0 530.675 4.612 50 0 KJAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2ccc(F)cc2Cl)C1 ZINC000008673804 553111534 /nfs/dbraw/zinc/11/15/34/553111534.db2.gz PZFJKUSIKIRBSJ-UHFFFAOYSA-N 0 0 518.397 4.613 50 0 KJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3N2)cc1 ZINC000008680602 553111958 /nfs/dbraw/zinc/11/19/58/553111958.db2.gz PPGRAHYXEVTJJI-LEWJYISDSA-N 0 0 526.519 4.602 50 0 KJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3N2)cc1 ZINC000008680603 553112036 /nfs/dbraw/zinc/11/20/36/553112036.db2.gz PPGRAHYXEVTJJI-SFTDATJTSA-N 0 0 526.519 4.602 50 0 KJAARN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000008680933 561707094 /nfs/dbraw/zinc/70/70/94/561707094.db2.gz JXSRPOWUFCILDD-PEZAHOEUSA-N 0 0 567.642 4.800 50 0 KJAARN 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553116852 /nfs/dbraw/zinc/11/68/52/553116852.db2.gz VNDNVESSVITNOH-UHFFFAOYSA-N 0 0 535.645 4.519 50 0 KJAARN COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1OC ZINC000008687879 553116854 /nfs/dbraw/zinc/11/68/54/553116854.db2.gz KRFPGHLUAFZMRZ-GXDHUFHOSA-N 0 0 513.660 4.521 50 0 KJAARN O=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000008687881 553116847 /nfs/dbraw/zinc/11/68/47/553116847.db2.gz QGFUSUNISSHGDD-CSKARUKUSA-N 0 0 504.033 4.691 50 0 KJAARN O=C(COc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000008687915 553116829 /nfs/dbraw/zinc/11/68/29/553116829.db2.gz XQQSIVFGMGNUDN-UHFFFAOYSA-N 0 0 536.492 4.632 50 0 aggregator KJAARN O=C(CNc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)Nc1ccc(SC(F)F)cc1 ZINC000008687916 553116870 /nfs/dbraw/zinc/11/68/70/553116870.db2.gz DABDHNMVGZNITF-UHFFFAOYSA-N 0 0 539.548 4.778 50 0 KJAARN O=C(c1ccccc1)c1nc2ccccc2n(CCCn2c3ccccc3nc(C(=O)c3ccccc3)c2=O)c1=O ZINC000008690145 553117146 /nfs/dbraw/zinc/11/71/46/553117146.db2.gz 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/nfs/dbraw/zinc/12/81/23/553128123.db2.gz SFNJTFRKRRTAFP-UHFFFAOYSA-N 0 0 527.625 4.819 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C2(C(=O)Nc3ccc(OC)cc3OC)CCCCC2)cc1 ZINC000008713594 553128433 /nfs/dbraw/zinc/12/84/33/553128433.db2.gz YULJNBNBBULWST-UHFFFAOYSA-N 0 0 557.651 4.828 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)Cn3nnc4ccccc43)CCCC2)c(OC)c1 ZINC000008713597 553128386 /nfs/dbraw/zinc/12/83/86/553128386.db2.gz VUOWRZONWYSYKE-UHFFFAOYSA-N 0 0 531.588 4.568 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccc(C)cc3)C(=O)Cn3nnc4ccccc43)CCCC2)c(OC)c1 ZINC000008713602 553128414 /nfs/dbraw/zinc/12/84/14/553128414.db2.gz IRWWFBVTRONAPF-UHFFFAOYSA-N 0 0 527.625 4.737 50 0 KJAARN COc1ccc(NC(=O)C(C)(C)N(Cc2ccccc2F)C(=O)CN2C[C@H](c3ccccc3)NC2=S)c(OC)c1 ZINC000008713788 553128680 /nfs/dbraw/zinc/12/86/80/553128680.db2.gz HPSBZMBYKCPNFU-RUZDIDTESA-N 0 0 564.683 4.520 50 0 KJAARN COc1ccc(NC(=O)C(C)(C)N(Cc2ccccc2F)C(=O)CN2C[C@@H](c3ccccc3)NC2=S)c(OC)c1 ZINC000008713790 553128623 /nfs/dbraw/zinc/12/86/23/553128623.db2.gz HPSBZMBYKCPNFU-VWLOTQADSA-N 0 0 564.683 4.520 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CCCC2)c(OC)c1 ZINC000008713799 553128606 /nfs/dbraw/zinc/12/86/06/553128606.db2.gz RZFWQFXBVXTGSZ-HHHXNRCGSA-N 0 0 572.731 4.915 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CCCC2)c(OC)c1 ZINC000008713842 553128684 /nfs/dbraw/zinc/12/86/84/553128684.db2.gz HZWQHJHYHFDMMF-RUZDIDTESA-N 0 0 562.692 4.508 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCCC2)c(OC)c1 ZINC000008713845 553128651 /nfs/dbraw/zinc/12/86/51/553128651.db2.gz HZWQHJHYHFDMMF-VWLOTQADSA-N 0 0 562.692 4.508 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(Cl)cc1C)c2C(=O)NCCc1ccccc1 ZINC000008717848 553129166 /nfs/dbraw/zinc/12/91/66/553129166.db2.gz YPOJZRUGTSNAHY-UHFFFAOYSA-N 0 0 509.031 4.895 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C)cc1)c2C(=O)Nc1cccc(C(=O)OCC)c1 ZINC000008717858 553129165 /nfs/dbraw/zinc/12/91/65/553129165.db2.gz OCNDIAQEBTZNIP-UHFFFAOYSA-N 0 0 518.595 4.698 50 0 KJAARN COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000008721605 553129449 /nfs/dbraw/zinc/12/94/49/553129449.db2.gz DXIOWKFYQLFFNM-UHFFFAOYSA-N 0 0 523.438 4.831 50 0 KJAARN Brc1ccc2c(c1)Oc1cc(Br)ccc1OCCOCCOCCOCCO2 ZINC000008721933 553129639 /nfs/dbraw/zinc/12/96/39/553129639.db2.gz ZLLZCXWXOMIAPQ-UHFFFAOYSA-N 0 0 518.198 4.825 50 0 KJAARN COC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008722475 553130155 /nfs/dbraw/zinc/13/01/55/553130155.db2.gz GMHLQMMEFBZKJU-UHFFFAOYSA-N 0 0 507.395 4.610 50 0 KJAARN COc1cccc(C(=O)COC(=O)CCN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000008722525 553130173 /nfs/dbraw/zinc/13/01/73/553130173.db2.gz QKUJABQHGDFLQV-UHFFFAOYSA-N 0 0 505.137 4.721 50 0 KJAARN O=c1n(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1 ZINC000008735688 553130382 /nfs/dbraw/zinc/13/03/82/553130382.db2.gz JGIADYIUPKAPRI-UHFFFAOYSA-N 0 0 514.584 4.583 50 0 KJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1cccc(I)c1 ZINC000008739042 553131040 /nfs/dbraw/zinc/13/10/40/553131040.db2.gz DUXYGBQDDKSQEZ-UHFFFAOYSA-N 0 0 514.348 4.930 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3ccc(F)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008740044 553131583 /nfs/dbraw/zinc/13/15/83/553131583.db2.gz PKFJDXGIFDZMML-QHCPKHFHSA-N 0 0 506.574 4.657 50 0 biogenic KJAARN CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCC(=O)OCc2ccccc2)cc1 ZINC000008740051 553131549 /nfs/dbraw/zinc/13/15/49/553131549.db2.gz JDCOKCPWKMACEM-OOAXWGSJSA-N 0 0 500.595 4.885 50 0 biogenic KJAARN COc1ccc(CCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 ZINC000008740079 553131930 /nfs/dbraw/zinc/13/19/30/553131930.db2.gz QBLKQTWGJQNKCE-DEOSSOPVSA-N 0 0 518.610 4.526 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)CCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008740228 553131873 /nfs/dbraw/zinc/13/18/73/553131873.db2.gz LSZWPUZLILTMQE-HXOBKFHXSA-N 0 0 506.599 4.889 50 0 biogenic KJAARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C1=O)CCCC2 ZINC000008741691 553133072 /nfs/dbraw/zinc/13/30/72/553133072.db2.gz WSKABRHZVHHUGL-YPAWHYETSA-N 0 0 508.621 4.835 50 0 KJAARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccccc4)[C@H]3C1=O)CCCC2 ZINC000008741712 553132984 /nfs/dbraw/zinc/13/29/84/553132984.db2.gz SZKOLGDUOUMZTP-WXFUMESZSA-N 0 0 502.592 4.773 50 0 KJAARN COc1ccc(C(C2C(=O)CC(c3ccccc3)CC2=O)C2C(=O)CC(c3ccccc3)CC2=O)cc1CO ZINC000008742437 553133257 /nfs/dbraw/zinc/13/32/57/553133257.db2.gz KERHKBMTHWVWBB-UHFFFAOYSA-N 0 0 524.613 4.935 50 0 KJAARN CC1=C[C@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(O)C3=C(C(=O)c3ccccc3)N2c2ccc(Cl)cc21 ZINC000008742718 553133345 /nfs/dbraw/zinc/13/33/45/553133345.db2.gz VCYXWWVNBCHCLS-CPPMQADQSA-N 0 0 512.949 4.732 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CCSCC2)cc1 ZINC000008748408 553134512 /nfs/dbraw/zinc/13/45/12/553134512.db2.gz ATONJAUAXXLICM-HHHXNRCGSA-N 0 0 574.772 4.860 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCSCC2)cc1 ZINC000008748415 553134509 /nfs/dbraw/zinc/13/45/09/553134509.db2.gz ATONJAUAXXLICM-MHZLTWQESA-N 0 0 574.772 4.860 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CCSCC2)c(OC)c1 ZINC000008748426 553134506 /nfs/dbraw/zinc/13/45/06/553134506.db2.gz ZSALFNLVOWIPCZ-HHHXNRCGSA-N 0 0 604.798 4.868 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCSCC2)c(OC)c1 ZINC000008748431 553134428 /nfs/dbraw/zinc/13/44/28/553134428.db2.gz ZSALFNLVOWIPCZ-MHZLTWQESA-N 0 0 604.798 4.868 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CCSCC2)cc1 ZINC000008748438 553134495 /nfs/dbraw/zinc/13/44/95/553134495.db2.gz LDEUPDOTBHRMRA-HHHXNRCGSA-N 0 0 592.762 4.999 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCSCC2)cc1 ZINC000008748446 553134443 /nfs/dbraw/zinc/13/44/43/553134443.db2.gz LDEUPDOTBHRMRA-MHZLTWQESA-N 0 0 592.762 4.999 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2csnn2)N(Cc2ccc(C(F)(F)F)cc2)C(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000008748667 553134468 /nfs/dbraw/zinc/13/44/68/553134468.db2.gz HGHANUDJGAFNQJ-RUZDIDTESA-N 0 0 609.586 4.570 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2csnn2)N(Cc2ccc(C(F)(F)F)cc2)C(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000008748674 553134474 /nfs/dbraw/zinc/13/44/74/553134474.db2.gz HGHANUDJGAFNQJ-VWLOTQADSA-N 0 0 609.586 4.570 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000008749037 553134672 /nfs/dbraw/zinc/13/46/72/553134672.db2.gz PRWMFUOOXYTBFI-ZMUHTPIZSA-N 0 0 507.826 4.759 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000008749039 553134711 /nfs/dbraw/zinc/13/47/11/553134711.db2.gz PRWMFUOOXYTBFI-OLROSQPISA-N 0 0 507.826 4.759 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008749705 553135255 /nfs/dbraw/zinc/13/52/55/553135255.db2.gz WRXBEAHGHKGDDV-QQMBNGEASA-N 0 0 628.703 4.513 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008749720 553135234 /nfs/dbraw/zinc/13/52/34/553135234.db2.gz WRXBEAHGHKGDDV-OIUASMPBSA-N 0 0 628.703 4.513 50 0 KJAARN CNC(=O)c1cccc(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000008754315 553135765 /nfs/dbraw/zinc/13/57/65/553135765.db2.gz KYBUWDBEKCCLFA-XMMPIXPASA-N 0 0 527.646 4.719 50 0 KJAARN CNC(=O)c1cccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000008754317 553135684 /nfs/dbraw/zinc/13/56/84/553135684.db2.gz KYBUWDBEKCCLFA-DEOSSOPVSA-N 0 0 527.646 4.719 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC(=O)N(CC)CC)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000008756520 553135934 /nfs/dbraw/zinc/13/59/34/553135934.db2.gz ZESHKESRDYJEFW-KMYVYOQISA-N 0 0 624.788 4.820 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC(=O)N(CC)CC)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000008756524 553135943 /nfs/dbraw/zinc/13/59/43/553135943.db2.gz ZESHKESRDYJEFW-CUJRCQHQSA-N 0 0 624.788 4.820 50 0 KJAARN Cc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F)n2C ZINC000008756705 553136229 /nfs/dbraw/zinc/13/62/29/553136229.db2.gz SNLQRHBQAOSOPY-UHFFFAOYSA-N 0 0 520.511 4.669 50 0 KJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CC(=O)NCc2ccccc2Cl)C3=O)cc1C ZINC000008756776 553136254 /nfs/dbraw/zinc/13/62/54/553136254.db2.gz JHUGHICWTKIJFW-HHHXNRCGSA-N 0 0 506.027 4.553 50 0 KJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CC(=O)NCc2ccccc2Cl)C3=O)cc1C ZINC000008756777 553136224 /nfs/dbraw/zinc/13/62/24/553136224.db2.gz JHUGHICWTKIJFW-MHZLTWQESA-N 0 0 506.027 4.553 50 0 KJAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cccc(Cl)c3C)c2=O)cc1 ZINC000008756801 553136210 /nfs/dbraw/zinc/13/62/10/553136210.db2.gz JSLZYTLEONMEBR-UHFFFAOYSA-N 0 0 503.942 4.567 50 0 KJAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4cccc(Cl)c4)nnn3c3ccsc32)cc1OC ZINC000008756965 553136246 /nfs/dbraw/zinc/13/62/46/553136246.db2.gz RNFLEZUVDRQODV-UHFFFAOYSA-N 0 0 501.977 4.586 50 0 KJAARN COc1cc(OC)cc(N2C(=O)N(Cc3ccc(Br)cc3)c3ccccc3S2(=O)=O)c1 ZINC000008757048 553136466 /nfs/dbraw/zinc/13/64/66/553136466.db2.gz OVGXGDQQGWCODN-UHFFFAOYSA-N 0 0 503.374 4.802 50 0 KJAARN Cc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCc2c[nH]c3ccc(C)cc23)cc1 ZINC000008757760 553136816 /nfs/dbraw/zinc/13/68/16/553136816.db2.gz LUWZQJUUFIHFHJ-MIXAMLLLSA-N 0 0 583.714 4.524 50 0 KJAARN COc1ccc2[nH]cc(CCNC(=O)/C(=C/c3cn(C)c4ccccc34)NC(=O)c3ccc(OC)c(OC)c3)c2c1 ZINC000008757812 553136752 /nfs/dbraw/zinc/13/67/52/553136752.db2.gz NQCIJWLVTUVSSG-DICXZTSXSA-N 0 0 552.631 4.815 50 0 KJAARN COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)nc3C2)c(OC)c1 ZINC000008758916 553137271 /nfs/dbraw/zinc/13/72/71/553137271.db2.gz WNFOMEDFDCFHIK-QGZVFWFLSA-N 0 0 512.532 4.752 50 0 KJAARN COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)nc3C2)c(OC)c1 ZINC000008758919 553137302 /nfs/dbraw/zinc/13/73/02/553137302.db2.gz WNFOMEDFDCFHIK-KRWDZBQOSA-N 0 0 512.532 4.752 50 0 KJAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000008762140 553137529 /nfs/dbraw/zinc/13/75/29/553137529.db2.gz SEORXHZLSXQMQN-IVMHMKJVSA-N 0 0 522.686 4.583 50 0 biogenic KJAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000008762142 553137563 /nfs/dbraw/zinc/13/75/63/553137563.db2.gz SEORXHZLSXQMQN-ZNHJYWNGSA-N 0 0 522.686 4.583 50 0 biogenic KJAARN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000008762145 553137551 /nfs/dbraw/zinc/13/75/51/553137551.db2.gz UHHIVOAGOSKCQA-HBMCJLEFSA-N 0 0 516.907 4.712 50 0 KJAARN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000008762146 553137568 /nfs/dbraw/zinc/13/75/68/553137568.db2.gz UHHIVOAGOSKCQA-ACRUOGEOSA-N 0 0 516.907 4.712 50 0 KJAARN O=C(Oc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2ccccc2)c2ccccc12)c1ccncc1 ZINC000008765728 553138429 /nfs/dbraw/zinc/13/84/29/553138429.db2.gz MVIMILKSMACVGD-UHFFFAOYSA-N 0 0 509.543 4.885 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccccc2Cl)cc1 ZINC000008766476 553138633 /nfs/dbraw/zinc/13/86/33/553138633.db2.gz XKMBUSVCHJEEPW-HSZRJFAPSA-N 0 0 510.015 4.888 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2Cl)cc1 ZINC000008766477 553138631 /nfs/dbraw/zinc/13/86/31/553138631.db2.gz XKMBUSVCHJEEPW-QHCPKHFHSA-N 0 0 510.015 4.888 50 0 KJAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000008766619 553138892 /nfs/dbraw/zinc/13/88/92/553138892.db2.gz AYFPMKUBNYOZDJ-NRFANRHFSA-N 0 0 545.039 4.643 50 0 KJAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000008766621 553138908 /nfs/dbraw/zinc/13/89/08/553138908.db2.gz AYFPMKUBNYOZDJ-OAQYLSRUSA-N 0 0 545.039 4.643 50 0 KJAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000008766661 553139145 /nfs/dbraw/zinc/13/91/45/553139145.db2.gz BGMXTKKUHWUVLH-OAQYLSRUSA-N 0 0 522.045 4.867 50 0 KJAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000008766662 553139168 /nfs/dbraw/zinc/13/91/68/553139168.db2.gz BGMXTKKUHWUVLH-NRFANRHFSA-N 0 0 522.045 4.867 50 0 KJAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCOCC1)c1nnn(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000008767877 553139962 /nfs/dbraw/zinc/13/99/62/553139962.db2.gz LYNMIAOATJFPNM-QVTSOHHYSA-N 0 0 606.495 4.702 50 0 KJAARN O=C(NCCCCCCNC(=O)NCCOc1ccccc1Cl)NCCOc1ccccc1Cl ZINC000008767902 553139944 /nfs/dbraw/zinc/13/99/44/553139944.db2.gz DNHJKMDJQXONMP-UHFFFAOYSA-N 0 0 511.450 4.610 50 0 KJAARN COc1cc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccc(Cl)cc32)cc(OC)c1 ZINC000008768684 553140215 /nfs/dbraw/zinc/14/02/15/553140215.db2.gz DZTITIBSEZWYTG-UHFFFAOYSA-N 0 0 509.975 4.833 50 0 KJAARN COc1ccc(OC)c(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccc(Cl)cc32)c1 ZINC000008768722 553140230 /nfs/dbraw/zinc/14/02/30/553140230.db2.gz MAVBHVLLKZFKNR-UHFFFAOYSA-N 0 0 509.975 4.833 50 0 KJAARN CC(=O)Nc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccc(Cl)cc32)cc1 ZINC000008768725 553140203 /nfs/dbraw/zinc/14/02/03/553140203.db2.gz FSFSNHAHWULHNV-UHFFFAOYSA-N 0 0 506.975 4.774 50 0 KJAARN Cc1cc(C)cc(S(=O)(=O)c2cn(C)c3cc(N4CCN(c5ccc(F)cc5)CC4)c(F)cc3c2=O)c1 ZINC000008768802 553140206 /nfs/dbraw/zinc/14/02/06/553140206.db2.gz ZGALAHYQIVBRNT-UHFFFAOYSA-N 0 0 523.605 4.593 50 0 KJAARN CC1(C)Cc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(=O)Nc2cccc3ccccc32)CO1 ZINC000008769886 553140719 /nfs/dbraw/zinc/14/07/19/553140719.db2.gz OLJQJCGSUIFRAM-UHFFFAOYSA-N 0 0 525.630 4.916 50 0 KJAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC1)c1nnn(-c2ccc(F)cc2)c1-c1ccccc1 ZINC000008770674 553140997 /nfs/dbraw/zinc/14/09/97/553140997.db2.gz SLVRCJHUKVAXOD-QVTSOHHYSA-N 0 0 574.041 4.951 50 0 KJAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC1)c1nnn(-c2ccccc2)c1-c1ccccc1 ZINC000008770678 553141057 /nfs/dbraw/zinc/14/10/57/553141057.db2.gz SFMIWNGNIIBQBO-IKPAITLHSA-N 0 0 556.051 4.812 50 0 KJAARN COc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3-c3ccccc3)s2)cc1 ZINC000008770745 553141054 /nfs/dbraw/zinc/14/10/54/553141054.db2.gz ZSXJBPGBHPIGMM-OVXWJCGASA-N 0 0 583.649 4.696 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@]23N=C(c2ccccc2)OC3=O)cc1 ZINC000008770791 553141033 /nfs/dbraw/zinc/14/10/33/553141033.db2.gz PMGLUWPDZIVUOU-YSRRZRNESA-N 0 0 507.590 4.909 50 0 KJAARN O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008773616 553141819 /nfs/dbraw/zinc/14/18/19/553141819.db2.gz LGACODOIBOEMCI-AEFFLSMTSA-N 0 0 506.393 4.662 50 0 KJAARN CCOC(=O)N1CCN2c3cc(Cl)ccc3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000008773732 553141828 /nfs/dbraw/zinc/14/18/28/553141828.db2.gz PMPGYGALIYUMOO-VWLOTQADSA-N 0 0 559.022 4.730 50 0 KJAARN CCOC(=O)N1CCN2c3cc(Cl)ccc3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000008773734 553141746 /nfs/dbraw/zinc/14/17/46/553141746.db2.gz PMPGYGALIYUMOO-RUZDIDTESA-N 0 0 559.022 4.730 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000008773777 553142015 /nfs/dbraw/zinc/14/20/15/553142015.db2.gz WBWPSFCFFXZDSP-AREMUKBSSA-N 0 0 529.593 4.589 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000008773778 553142034 /nfs/dbraw/zinc/14/20/34/553142034.db2.gz WBWPSFCFFXZDSP-SANMLTNESA-N 0 0 529.593 4.589 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000008773783 553142084 /nfs/dbraw/zinc/14/20/84/553142084.db2.gz WLGALOYJMDUCRG-RUZDIDTESA-N 0 0 559.619 4.598 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000008773784 553142069 /nfs/dbraw/zinc/14/20/69/553142069.db2.gz WLGALOYJMDUCRG-VWLOTQADSA-N 0 0 559.619 4.598 50 0 KJAARN Cc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1S(=O)(=O)N(C)C ZINC000008774499 553142108 /nfs/dbraw/zinc/14/21/08/553142108.db2.gz MBPSFCDHSFWNAN-UHFFFAOYSA-N 0 0 515.107 4.606 50 0 aggregator KJAARN Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000008774556 553142032 /nfs/dbraw/zinc/14/20/32/553142032.db2.gz SAUNADIRYAWBHM-UHFFFAOYSA-N 0 0 504.530 4.954 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)c1 ZINC000008774672 553142038 /nfs/dbraw/zinc/14/20/38/553142038.db2.gz AMFVUEKGIXEMIN-UHFFFAOYSA-N 0 0 522.410 4.586 50 0 KJAARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2ccc3c[nH]nc3c2)CCCC4)cc1 ZINC000008779821 553144211 /nfs/dbraw/zinc/14/42/11/553144211.db2.gz LPOFICBCCWCUFZ-UHFFFAOYSA-N 0 0 517.636 4.942 50 0 KJAARN O=C(Nc1ccccc1)N1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CC1 ZINC000008781602 553144771 /nfs/dbraw/zinc/14/47/71/553144771.db2.gz ZVSJNRZIGBDNBO-UHFFFAOYSA-N 0 0 505.415 4.559 50 0 KJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC(C2N=NC(=S)N2c2cccc(C(F)(F)F)c2)CC1 ZINC000008782155 553144676 /nfs/dbraw/zinc/14/46/76/553144676.db2.gz NTOAMTRHKHZTIY-UHFFFAOYSA-N 0 0 502.971 4.797 50 0 KJAARN CC(C)C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008788835 553145155 /nfs/dbraw/zinc/14/51/55/553145155.db2.gz XMQORUHRMPQKOC-FIPFOOKPSA-N 0 0 507.034 4.630 50 0 biogenic KJAARN CC(C)C[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008788928 553145237 /nfs/dbraw/zinc/14/52/37/553145237.db2.gz BWWGIHOLCZWJTG-QIAHQPDOSA-N 0 0 500.643 4.756 50 0 biogenic KJAARN CC(C)C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008788930 553145249 /nfs/dbraw/zinc/14/52/49/553145249.db2.gz BWWGIHOLCZWJTG-MOXKEGGMSA-N 0 0 500.643 4.756 50 0 biogenic KJAARN CC(C)[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789039 553145165 /nfs/dbraw/zinc/14/51/65/553145165.db2.gz ACSXVGMPRROKDL-LVXARBLLSA-N 0 0 512.532 4.563 50 0 biogenic KJAARN COc1cc([C@@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000008789158 553145378 /nfs/dbraw/zinc/14/53/78/553145378.db2.gz XXRYIYNFBCREQI-CHJDUVSTSA-N 0 0 513.594 4.788 50 0 biogenic KJAARN COc1cc([C@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000008789159 553145397 /nfs/dbraw/zinc/14/53/97/553145397.db2.gz XXRYIYNFBCREQI-RCRUUEGKSA-N 0 0 513.594 4.788 50 0 biogenic KJAARN COc1cccc([C@@H]2CN3C(=O)CN(Cc4ccc(F)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789170 553145360 /nfs/dbraw/zinc/14/53/60/553145360.db2.gz YTQJKHPKQNNFBU-CHJDUVSTSA-N 0 0 513.569 4.556 50 0 biogenic KJAARN COc1cccc([C@H]2CN3C(=O)CN(Cc4ccc(F)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789171 553145351 /nfs/dbraw/zinc/14/53/51/553145351.db2.gz YTQJKHPKQNNFBU-RCRUUEGKSA-N 0 0 513.569 4.556 50 0 biogenic KJAARN CCCOc1ccc([C@H]2CN3C(=O)CN(C[C@H]4CCCO4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000008789201 553145400 /nfs/dbraw/zinc/14/54/00/553145400.db2.gz LINWQLATBBFZNW-OODKBARNSA-N 0 0 531.653 4.566 50 0 biogenic KJAARN COc1cccc([C@@H]2CN3C(=O)CN(CCc4ccc(F)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789343 553145408 /nfs/dbraw/zinc/14/54/08/553145408.db2.gz HVBLCHWWYFFDSR-FWUCURJTSA-N 0 0 527.596 4.598 50 0 biogenic KJAARN COc1cccc([C@H]2CN3C(=O)CN(CCc4ccc(F)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789345 553145385 /nfs/dbraw/zinc/14/53/85/553145385.db2.gz HVBLCHWWYFFDSR-IPBJYNAHSA-N 0 0 527.596 4.598 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789455 553145667 /nfs/dbraw/zinc/14/56/67/553145667.db2.gz ZQUDVHFNUVMNOS-FWUCURJTSA-N 0 0 509.606 4.807 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(Cc3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789456 553145745 /nfs/dbraw/zinc/14/57/45/553145745.db2.gz ZQUDVHFNUVMNOS-IPBJYNAHSA-N 0 0 509.606 4.807 50 0 biogenic KJAARN COc1cccc([C@@H]2CN3C(=O)CN(CCc4ccccc4F)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789630 553145661 /nfs/dbraw/zinc/14/56/61/553145661.db2.gz SCMGGHDVICKFSP-UGDMGKLASA-N 0 0 527.596 4.598 50 0 biogenic KJAARN COc1cccc([C@H]2CN3C(=O)CN(CCc4ccccc4F)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789631 553145731 /nfs/dbraw/zinc/14/57/31/553145731.db2.gz SCMGGHDVICKFSP-UVDDSOTQSA-N 0 0 527.596 4.598 50 0 biogenic KJAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCOC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000008789652 553145741 /nfs/dbraw/zinc/14/57/41/553145741.db2.gz WFAFUVZCQSGTDE-FWUCURJTSA-N 0 0 533.669 4.812 50 0 biogenic KJAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCCOC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000008789653 553145720 /nfs/dbraw/zinc/14/57/20/553145720.db2.gz WFAFUVZCQSGTDE-IPBJYNAHSA-N 0 0 533.669 4.812 50 0 biogenic KJAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCCCO)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000008789678 553145901 /nfs/dbraw/zinc/14/59/01/553145901.db2.gz ZYTAFYHXSXQSEN-FWUCURJTSA-N 0 0 533.669 4.550 50 0 biogenic KJAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCCCCO)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000008789680 553145877 /nfs/dbraw/zinc/14/58/77/553145877.db2.gz ZYTAFYHXSXQSEN-IPBJYNAHSA-N 0 0 533.669 4.550 50 0 biogenic KJAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000008789685 553145868 /nfs/dbraw/zinc/14/58/68/553145868.db2.gz LSLVFWMUKWSLGU-CHJDUVSTSA-N 0 0 513.594 4.790 50 0 biogenic KJAARN CCCOc1ccc([C@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000008789686 553145858 /nfs/dbraw/zinc/14/58/58/553145858.db2.gz LSLVFWMUKWSLGU-RCRUUEGKSA-N 0 0 513.594 4.790 50 0 biogenic KJAARN COc1ccccc1[C@@H]1CN2C(=O)CN(CCc3c[nH]c4ccccc34)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789794 553145879 /nfs/dbraw/zinc/14/58/79/553145879.db2.gz NUBPAEQEOKZQLB-BNHRFMORSA-N 0 0 518.617 4.932 50 0 biogenic KJAARN COc1ccccc1[C@H]1CN2C(=O)CN(CCc3c[nH]c4ccccc34)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789795 553145894 /nfs/dbraw/zinc/14/58/94/553145894.db2.gz NUBPAEQEOKZQLB-QNLPTKCRSA-N 0 0 518.617 4.932 50 0 biogenic KJAARN COc1cc([C@@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000008789800 553145890 /nfs/dbraw/zinc/14/58/90/553145890.db2.gz WUWHGPVEJGAEOS-CHJDUVSTSA-N 0 0 501.627 4.938 50 0 biogenic KJAARN COc1cc([C@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000008789801 553145910 /nfs/dbraw/zinc/14/59/10/553145910.db2.gz WUWHGPVEJGAEOS-RCRUUEGKSA-N 0 0 501.627 4.938 50 0 biogenic KJAARN COc1cc([C@H]2CN3C(=O)CN(CCCOC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000008789830 553145899 /nfs/dbraw/zinc/14/58/99/553145899.db2.gz DSNYWQYDTPGYEI-IPBJYNAHSA-N 0 0 533.669 4.810 50 0 biogenic KJAARN COc1cc([C@@H]2CN3C(=O)CN(CCCOC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000008789831 553145853 /nfs/dbraw/zinc/14/58/53/553145853.db2.gz DSNYWQYDTPGYEI-FWUCURJTSA-N 0 0 533.669 4.810 50 0 biogenic KJAARN COc1cccc([C@@H]2CN3C(=O)CN(CCc4cccc(F)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789887 553145884 /nfs/dbraw/zinc/14/58/84/553145884.db2.gz KAGTZIXLSKXVEJ-FWUCURJTSA-N 0 0 527.596 4.598 50 0 biogenic KJAARN COc1cccc([C@H]2CN3C(=O)CN(CCc4cccc(F)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)c1OC ZINC000008789888 553146155 /nfs/dbraw/zinc/14/61/55/553146155.db2.gz KAGTZIXLSKXVEJ-IPBJYNAHSA-N 0 0 527.596 4.598 50 0 biogenic KJAARN O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=O ZINC000008790127 553146458 /nfs/dbraw/zinc/14/64/58/553146458.db2.gz KNFHTQBFBWLJMB-IYKJZBSOSA-N 0 0 520.589 4.560 50 0 biogenic KJAARN O=C(NC[C@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=O ZINC000008790129 553146416 /nfs/dbraw/zinc/14/64/16/553146416.db2.gz KNFHTQBFBWLJMB-PBZMZIQDSA-N 0 0 520.589 4.560 50 0 biogenic KJAARN CCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(OC)cc3)N2C1=O ZINC000008790308 553146450 /nfs/dbraw/zinc/14/64/50/553146450.db2.gz KLSPAALDHJYYDV-AHKZPQOWSA-N 0 0 508.578 4.799 50 0 biogenic KJAARN COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3C)N2C1=O ZINC000008790345 553146427 /nfs/dbraw/zinc/14/64/27/553146427.db2.gz XJODPMURFNAADD-XTEPFMGCSA-N 0 0 522.605 4.726 50 0 biogenic KJAARN COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3C)N2C1=O ZINC000008790346 553146447 /nfs/dbraw/zinc/14/64/47/553146447.db2.gz XJODPMURFNAADD-XCZPVHLTSA-N 0 0 522.605 4.726 50 0 biogenic KJAARN CCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(OC)c3)N2C1=O ZINC000008790391 553146424 /nfs/dbraw/zinc/14/64/24/553146424.db2.gz YXLWWSLYYFCUMN-AHKZPQOWSA-N 0 0 508.578 4.799 50 0 biogenic KJAARN COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(C)cc3)N2C1=O ZINC000008790462 553146557 /nfs/dbraw/zinc/14/65/57/553146557.db2.gz ALHSXJDROXOAHM-XCZPVHLTSA-N 0 0 522.605 4.726 50 0 biogenic KJAARN CCCNC(=O)c1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4cccc(OC)c4)N3C2=O)cc1 ZINC000008790643 553146630 /nfs/dbraw/zinc/14/66/30/553146630.db2.gz PXDKMPOHSKIUHR-BDYUSTAISA-N 0 0 508.578 4.799 50 0 biogenic KJAARN CCCNC(=O)c1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4cccc(OC)c4)N3C2=O)cc1 ZINC000008790645 553146567 /nfs/dbraw/zinc/14/65/67/553146567.db2.gz PXDKMPOHSKIUHR-AHKZPQOWSA-N 0 0 508.578 4.799 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1 ZINC000008791519 553147072 /nfs/dbraw/zinc/14/70/72/553147072.db2.gz JNEHHCUQQUGKSW-UNCTUWKVSA-N 0 0 512.654 4.618 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1 ZINC000008791520 553147068 /nfs/dbraw/zinc/14/70/68/553147068.db2.gz JNEHHCUQQUGKSW-NSVAZKTRSA-N 0 0 512.654 4.618 50 0 biogenic KJAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCCC1 ZINC000008791764 553147267 /nfs/dbraw/zinc/14/72/67/553147267.db2.gz QEEYDUHHZBDGIS-GUBWOUBTSA-N 0 0 541.729 4.838 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)c3ccccc3Cl)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008791768 553147301 /nfs/dbraw/zinc/14/73/01/553147301.db2.gz COKZBWCUDQXGST-NRFANRHFSA-N 0 0 522.985 4.769 50 0 biogenic KJAARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000008809454 553148022 /nfs/dbraw/zinc/14/80/22/553148022.db2.gz SOCRYXHPCZWADH-OAQYLSRUSA-N 0 0 504.004 4.686 50 0 KJAARN CCOc1ccc(CCN2C(=O)c3ccccc3[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC ZINC000008811566 553149320 /nfs/dbraw/zinc/14/93/20/553149320.db2.gz SJWPRMLNPMITAR-LJAQVGFWSA-N 0 0 532.637 4.600 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N2CCCCC2)cc1 ZINC000008812949 553150630 /nfs/dbraw/zinc/15/06/30/553150630.db2.gz BEWUNTOLUPBEDH-UHFFFAOYSA-N 0 0 518.683 4.749 50 0 KJAARN CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCc4ccccc4)c3c2)CC1 ZINC000008813209 553150643 /nfs/dbraw/zinc/15/06/43/553150643.db2.gz JMYVUSBZQIVOAH-UHFFFAOYSA-N 0 0 514.651 4.690 50 0 KJAARN CCCCSCCCNC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccc(CC)cc3)cc2c1O ZINC000008813442 553150875 /nfs/dbraw/zinc/15/08/75/553150875.db2.gz YRNBMCBVWQZBSX-UHFFFAOYSA-N 0 0 501.674 4.545 50 0 KJAARN CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccncc4)cc(C(=O)NCc4ccc(F)cc4)c3c2)CC1 ZINC000008813445 553150829 /nfs/dbraw/zinc/15/08/29/553150829.db2.gz LHPXJJBJGZESTI-UHFFFAOYSA-N 0 0 518.614 4.787 50 0 KJAARN CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccncc4)cc(C(=O)NCCc4ccccc4)c3c2)CC1 ZINC000008813450 553150825 /nfs/dbraw/zinc/15/08/25/553150825.db2.gz WFSQVQSNACQTGA-UHFFFAOYSA-N 0 0 514.651 4.690 50 0 KJAARN CCCCOc1ccc([C@@H](C)NC(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000008813570 553151097 /nfs/dbraw/zinc/15/10/97/553151097.db2.gz QQHOQZBOBQZBSL-CKQIISDPSA-N 0 0 529.703 4.786 50 0 KJAARN CCCCOc1ccc([C@H](C)NC(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000008813572 553151089 /nfs/dbraw/zinc/15/10/89/553151089.db2.gz QQHOQZBOBQZBSL-INVBSJAUSA-N 0 0 529.703 4.786 50 0 KJAARN COc1cccc(NC(=O)Nc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2N2CCC(C)CC2)c1 ZINC000008814003 553151150 /nfs/dbraw/zinc/15/11/50/553151150.db2.gz KJIIPRACKJTSQP-UHFFFAOYSA-N 0 0 500.665 4.996 50 0 KJAARN O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000008814280 553151346 /nfs/dbraw/zinc/15/13/46/553151346.db2.gz QERNKYVIQYMDBU-DHUJRADRSA-N 0 0 501.995 4.992 50 0 KJAARN O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000008814281 553151318 /nfs/dbraw/zinc/15/13/18/553151318.db2.gz QERNKYVIQYMDBU-PGUFJCEWSA-N 0 0 501.995 4.992 50 0 KJAARN O=C(NCc1ccccn1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000008814282 553151337 /nfs/dbraw/zinc/15/13/37/553151337.db2.gz WGSFQHCCHUEBGY-DHUJRADRSA-N 0 0 501.995 4.992 50 0 KJAARN O=C(NCc1ccccn1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000008814283 553151336 /nfs/dbraw/zinc/15/13/36/553151336.db2.gz WGSFQHCCHUEBGY-PGUFJCEWSA-N 0 0 501.995 4.992 50 0 KJAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000008814645 553151607 /nfs/dbraw/zinc/15/16/07/553151607.db2.gz NGOPAZIHHGCLEL-UHFFFAOYSA-N 0 0 524.646 4.938 50 0 KJAARN CCOc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2NC(=O)Cc2ccc(OCC)c(OCC)c2)cc1OCC ZINC000008815600 553151587 /nfs/dbraw/zinc/15/15/87/553151587.db2.gz XYCYOQOQDKVBDL-ZEQRLZLVSA-N 0 0 526.674 4.610 50 0 KJAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncn(-c2ccc(Cl)cc2Cl)c1=O ZINC000008816984 553152353 /nfs/dbraw/zinc/15/23/53/553152353.db2.gz WDKQGPLWFDOVFL-UHFFFAOYSA-N 0 0 517.438 4.990 50 0 KJAARN Cc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)sc1Cc1cc(Cl)ccc1Cl ZINC000008818948 553153721 /nfs/dbraw/zinc/15/37/21/553153721.db2.gz KCXZOGUHNHUIOY-UHFFFAOYSA-N 0 0 502.470 4.727 50 0 KJAARN Cc1c(C2(c3c(C)n(C)n(-c4ccccc4)c3=O)c3cc(Br)cc(C)c3NC2=O)c(=O)n(-c2ccccc2)n1C ZINC000008829045 553157490 /nfs/dbraw/zinc/15/74/90/553157490.db2.gz AWYHAJSPPSBCPE-UHFFFAOYSA-N 0 0 598.501 4.640 50 0 KJAARN CCOC(=O)C1C(C)=Nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000008830112 553157928 /nfs/dbraw/zinc/15/79/28/553157928.db2.gz OTDWHCHBNWZHDQ-FQEVSTJZSA-N 0 0 506.580 4.751 50 0 KJAARN CCOC(=O)C1C(C)=Nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000008830113 553157952 /nfs/dbraw/zinc/15/79/52/553157952.db2.gz OTDWHCHBNWZHDQ-HXUWFJFHSA-N 0 0 506.580 4.751 50 0 KJAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)n2)c(OC)c1 ZINC000008830345 553157966 /nfs/dbraw/zinc/15/79/66/553157966.db2.gz KUMKPRVWAWJUBI-UHFFFAOYSA-N 0 0 535.647 4.827 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3c[nH]c4ccccc43)n1CCOC)CCCC2 ZINC000008830481 553158198 /nfs/dbraw/zinc/15/81/98/553158198.db2.gz FASDUZIORUDZMP-UHFFFAOYSA-N 0 0 539.683 4.921 50 0 KJAARN CCCS(=O)(=O)c1c2cc(C(C)(C)C)ccn2c(C(=O)c2ccc(OC)c(OC)c2)c1S(=O)(=O)CCC ZINC000008830845 553158177 /nfs/dbraw/zinc/15/81/77/553158177.db2.gz XCHAASNWXPUTEA-UHFFFAOYSA-N 0 0 549.711 4.852 50 0 KJAARN COc1ccc2cc(S(=O)(=O)Nc3ccccc3F)ccc2c1S(=O)(=O)Nc1ccccc1F ZINC000008834406 553161048 /nfs/dbraw/zinc/16/10/48/553161048.db2.gz ATPHKNVOZCBEOA-UHFFFAOYSA-N 0 0 504.536 4.728 50 0 KJAARN COc1ccc(CCn2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1OC ZINC000008835980 553162643 /nfs/dbraw/zinc/16/26/43/553162643.db2.gz FFMCXVNRQHTMAZ-UHFFFAOYSA-N 0 0 502.596 4.568 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCc2c[nH]c3ccccc23)cc1OC ZINC000008836808 553163492 /nfs/dbraw/zinc/16/34/92/553163492.db2.gz RTSZDQIXZIBXIX-QQXSKIMKSA-N 0 0 522.605 4.807 50 0 biogenic KJAARN CN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2ccccc2)c2ccccc21 ZINC000008837354 553163818 /nfs/dbraw/zinc/16/38/18/553163818.db2.gz MVIDPJWJOUQLTM-JXAWBTAJSA-N 0 0 505.315 4.507 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(Cc2cccnc2)c2nc3ccc(C)cc3s2)cc1 ZINC000008842279 553164909 /nfs/dbraw/zinc/16/49/09/553164909.db2.gz BWLTYBQRULPLQW-HSZRJFAPSA-N 0 0 506.653 4.695 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(Cc2cccnc2)c2nc3ccc(C)cc3s2)cc1 ZINC000008842280 553164998 /nfs/dbraw/zinc/16/49/98/553164998.db2.gz BWLTYBQRULPLQW-QHCPKHFHSA-N 0 0 506.653 4.695 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccccc1 ZINC000008842961 553165267 /nfs/dbraw/zinc/16/52/67/553165267.db2.gz YSUHOSNGGCJACV-BDPRQDHOSA-N 0 0 501.007 4.589 50 0 KJAARN COc1ccc(CN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008845712 553165731 /nfs/dbraw/zinc/16/57/31/553165731.db2.gz NUBNYHWAPJSAGM-HHHXNRCGSA-N 0 0 515.566 4.871 50 0 KJAARN COc1ccc(CN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008845713 553165760 /nfs/dbraw/zinc/16/57/60/553165760.db2.gz NUBNYHWAPJSAGM-MHZLTWQESA-N 0 0 515.566 4.871 50 0 KJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008845724 553165714 /nfs/dbraw/zinc/16/57/14/553165714.db2.gz IGWDSIYDSSNUAQ-MUUNZHRXSA-N 0 0 529.593 4.913 50 0 KJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008845725 553165744 /nfs/dbraw/zinc/16/57/44/553165744.db2.gz IGWDSIYDSSNUAQ-NDEPHWFRSA-N 0 0 529.593 4.913 50 0 KJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000008845728 553165854 /nfs/dbraw/zinc/16/58/54/553165854.db2.gz NXGFJMKYPSNROM-MUUNZHRXSA-N 0 0 515.566 4.610 50 0 KJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000008845729 553165750 /nfs/dbraw/zinc/16/57/50/553165750.db2.gz NXGFJMKYPSNROM-NDEPHWFRSA-N 0 0 515.566 4.610 50 0 KJAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000008846213 553166130 /nfs/dbraw/zinc/16/61/30/553166130.db2.gz ALLLZJIQTKKLQO-OAQYLSRUSA-N 0 0 505.324 4.795 50 0 KJAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000008846214 553166051 /nfs/dbraw/zinc/16/60/51/553166051.db2.gz ALLLZJIQTKKLQO-NRFANRHFSA-N 0 0 505.324 4.795 50 0 KJAARN COc1ccc(N(C(=O)c2ccc(-n3cnnn3)cc2)C2(C(=O)Nc3c(C)cccc3C)CCCC2)cc1 ZINC000008846329 553166169 /nfs/dbraw/zinc/16/61/69/553166169.db2.gz HFUSAIVXPBRNHM-UHFFFAOYSA-N 0 0 510.598 4.886 50 0 KJAARN CCOC(=O)C1=CC2(SC(C(=O)OC)=C(C(=O)OC)S2)C2=C(S1)C(C)(C)Nc1ccccc12 ZINC000008846773 553166625 /nfs/dbraw/zinc/16/66/25/553166625.db2.gz LNMBEHGHXDCNRJ-UHFFFAOYSA-N 0 0 505.639 4.530 50 0 KJAARN CCOC(=O)C1=CC2(SC(C(=O)OC)=C(C(=O)OC)S2)C2=C(S1)C(C)(C)Nc1ccc(C)cc12 ZINC000008846774 553166646 /nfs/dbraw/zinc/16/66/46/553166646.db2.gz BBFCJWYCOFBIRR-UHFFFAOYSA-N 0 0 519.666 4.838 50 0 KJAARN COc1ccc(CCNC(=O)[C@H](C)Sc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC ZINC000008846785 553166592 /nfs/dbraw/zinc/16/65/92/553166592.db2.gz RGGODIDLDUHEBL-NRFANRHFSA-N 0 0 516.667 4.909 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H](C)Sc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC ZINC000008846786 553166637 /nfs/dbraw/zinc/16/66/37/553166637.db2.gz RGGODIDLDUHEBL-OAQYLSRUSA-N 0 0 516.667 4.909 50 0 KJAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(N2CCOCC2)cc1 ZINC000008853595 553166778 /nfs/dbraw/zinc/16/67/78/553166778.db2.gz ZHGBQVGROHFQAL-MHZLTWQESA-N 0 0 504.974 4.833 50 0 KJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1Br ZINC000008854821 553167050 /nfs/dbraw/zinc/16/70/50/553167050.db2.gz PMGMHJOXXFWBNW-XMMPIXPASA-N 0 0 500.462 4.726 50 0 KJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1Br ZINC000008854822 553167061 /nfs/dbraw/zinc/16/70/61/553167061.db2.gz PMGMHJOXXFWBNW-DEOSSOPVSA-N 0 0 500.462 4.726 50 0 KJAARN CCOC(=O)N[C@](Nc1sc(-c2ccccc2)c(C)c1C(=O)OCC)(C(=O)OCC)C(F)(F)F ZINC000008854911 553167067 /nfs/dbraw/zinc/16/70/67/553167067.db2.gz BFUBJHWOIQMWQM-OAQYLSRUSA-N 0 0 502.511 4.880 50 0 KJAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(N2CCOCC2)cc1 ZINC000008855032 553167025 /nfs/dbraw/zinc/16/70/25/553167025.db2.gz ZHGBQVGROHFQAL-HHHXNRCGSA-N 0 0 504.974 4.833 50 0 KJAARN CN(C)c1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000008856782 553167761 /nfs/dbraw/zinc/16/77/61/553167761.db2.gz NLRHIHDJZKVFOK-UHFFFAOYSA-N 0 0 510.376 4.829 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000008857576 553168306 /nfs/dbraw/zinc/16/83/06/553168306.db2.gz YFHMAIOACOQNJC-COPRSSIGSA-N 0 0 504.718 4.687 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000008857577 553168328 /nfs/dbraw/zinc/16/83/28/553168328.db2.gz YFHMAIOACOQNJC-MYGLTJDJSA-N 0 0 504.718 4.687 50 0 KJAARN COc1ccccc1OCCOc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000008858227 553168856 /nfs/dbraw/zinc/16/88/56/553168856.db2.gz XDPCAXYZCYTDSM-JRYDFKMLSA-N 0 0 530.621 4.528 50 0 KJAARN COc1ccccc1OCCOc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000008858228 553168807 /nfs/dbraw/zinc/16/88/07/553168807.db2.gz XDPCAXYZCYTDSM-QJAFFKISSA-N 0 0 530.621 4.528 50 0 KJAARN Cc1cc(C)cc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000008860305 553170118 /nfs/dbraw/zinc/17/01/18/553170118.db2.gz WRDLNEUMLBNKCC-UHFFFAOYSA-N 0 0 512.591 4.986 50 0 aggregator KJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C(=O)OCC)sc1NC(=O)Cc1ccc(OC)cc1 ZINC000008861158 553170281 /nfs/dbraw/zinc/17/02/81/553170281.db2.gz YXGFWGCLSSYBQE-UHFFFAOYSA-N 0 0 524.595 4.852 50 0 KJAARN COc1ccc(CC(=O)Nc2cc(NC(=O)Cc3ccc(OC)cc3)cc(C(=O)NC(C)(C)C)c2)cc1 ZINC000008861268 553170331 /nfs/dbraw/zinc/17/03/31/553170331.db2.gz OOKGBBPGSQVIGO-UHFFFAOYSA-N 0 0 503.599 4.595 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C(=O)OCC)sc1NC(=O)COc1ccccc1C ZINC000008861618 553170269 /nfs/dbraw/zinc/17/02/69/553170269.db2.gz WNLXXEZVVBVUHO-UHFFFAOYSA-N 0 0 524.595 4.988 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C(=O)OCC)sc1NC(=O)c1ccccc1OC ZINC000008861620 553170565 /nfs/dbraw/zinc/17/05/65/553170565.db2.gz GTYNKHYRSACPHT-UHFFFAOYSA-N 0 0 510.568 4.923 50 0 KJAARN COC(=O)C1=CN(CCC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1 ZINC000008867216 553170533 /nfs/dbraw/zinc/17/05/33/553170533.db2.gz AMYBUBDAGUTILO-UHFFFAOYSA-N 0 0 525.642 4.832 50 0 KJAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)n1 ZINC000008868272 553170805 /nfs/dbraw/zinc/17/08/05/553170805.db2.gz OVFGWLUVBNSCFD-UHFFFAOYSA-N 0 0 517.076 4.748 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2cccs2)cc1 ZINC000008869715 553171259 /nfs/dbraw/zinc/17/12/59/553171259.db2.gz FKVVRBALPNSNNC-OAQYLSRUSA-N 0 0 511.600 4.595 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2cccs2)cc1 ZINC000008869718 553171305 /nfs/dbraw/zinc/17/13/05/553171305.db2.gz FKVVRBALPNSNNC-NRFANRHFSA-N 0 0 511.600 4.595 50 0 KJAARN COC(=O)C1=CN(CC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1 ZINC000008869819 553171225 /nfs/dbraw/zinc/17/12/25/553171225.db2.gz URSNOWPIGDBTHB-UHFFFAOYSA-N 0 0 502.007 4.784 50 0 KJAARN COC(=O)C1=CN(CCOC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1 ZINC000008869821 553171245 /nfs/dbraw/zinc/17/12/45/553171245.db2.gz IJNOUPRQNVGBAN-UHFFFAOYSA-N 0 0 532.033 4.553 50 0 KJAARN COC(=O)C1=CN(CCOC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1ccccc1OC(C)C ZINC000008869828 553171222 /nfs/dbraw/zinc/17/12/22/553171222.db2.gz SUHJNBIBSNEJQH-UHFFFAOYSA-N 0 0 509.643 4.972 50 0 KJAARN CCOC(=O)[C@]12C(=O)Oc3ccc(Br)cc3[C@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 ZINC000008869837 553171467 /nfs/dbraw/zinc/17/14/67/553171467.db2.gz DGPVGDSSBVTFIC-NDXORKPFSA-N 0 0 508.162 4.667 50 0 KJAARN COc1ccc(CCNC(=O)c2c(N)n(CCc3ccccc3F)c3nc4ccccc4nc32)cc1OC ZINC000008871065 553171676 /nfs/dbraw/zinc/17/16/76/553171676.db2.gz WYYZNYIRICADDW-UHFFFAOYSA-N 0 0 513.573 4.538 50 0 KJAARN Cc1ccccc1OCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000008871718 553171735 /nfs/dbraw/zinc/17/17/35/553171735.db2.gz XOTIXELSGAMMAQ-JRYDFKMLSA-N 0 0 500.595 4.519 50 0 KJAARN Cc1ccccc1OCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000008871719 553171733 /nfs/dbraw/zinc/17/17/33/553171733.db2.gz XOTIXELSGAMMAQ-QJAFFKISSA-N 0 0 500.595 4.519 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)nc1-c1ccccc1 ZINC000008872440 553173354 /nfs/dbraw/zinc/17/33/54/553173354.db2.gz IJOCZZCNCZBLNA-ROUUACIJSA-N 0 0 527.668 4.906 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)nc1-c1ccccc1 ZINC000008872441 553173348 /nfs/dbraw/zinc/17/33/48/553173348.db2.gz IJOCZZCNCZBLNA-QZTJIDSGSA-N 0 0 527.668 4.906 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)nc1-c1ccccc1 ZINC000008872446 553173326 /nfs/dbraw/zinc/17/33/26/553173326.db2.gz NSABXUCQUIQASK-UHFFFAOYSA-N 0 0 547.658 4.986 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)nc1-c1ccccc1 ZINC000008872451 553173359 /nfs/dbraw/zinc/17/33/59/553173359.db2.gz XOMOIMQRODMTOF-UHFFFAOYSA-N 0 0 533.631 4.991 50 0 KJAARN CCCCCCNC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008876259 553175037 /nfs/dbraw/zinc/17/50/37/553175037.db2.gz YHMQTQSVEOMQTG-OHSXHVKISA-N 0 0 532.710 4.572 50 0 biogenic KJAARN CCCCCCNC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008876260 553175054 /nfs/dbraw/zinc/17/50/54/553175054.db2.gz YHMQTQSVEOMQTG-KLJDGLGGSA-N 0 0 532.710 4.572 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)c3ccc(Cl)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008876444 553175348 /nfs/dbraw/zinc/17/53/48/553175348.db2.gz PNXIWYSSBIOTTI-NRFANRHFSA-N 0 0 522.985 4.769 50 0 biogenic KJAARN CC1(C)CCc2c(cc(OCC(=O)NCCc3c[nH]c4ccc(F)cc34)c3c4c(c(=O)oc23)CCC4)O1 ZINC000008876992 553175478 /nfs/dbraw/zinc/17/54/78/553175478.db2.gz YQYXYICKUBAZPW-UHFFFAOYSA-N 0 0 504.558 4.743 50 0 biogenic KJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)occ3-c1ccccc1 ZINC000008877231 553175507 /nfs/dbraw/zinc/17/55/07/553175507.db2.gz LKEJRRSJNAILAJ-CTNGQTDRSA-N 0 0 506.558 4.865 50 0 biogenic KJAARN COc1ccc2[nH]cc(CCNC(=O)COc3cc4c(c5oc(=O)c6c(c35)CCC6)CCC(C)(C)O4)c2c1 ZINC000008877240 553175491 /nfs/dbraw/zinc/17/54/91/553175491.db2.gz URUMGZUUWOSEFC-UHFFFAOYSA-N 0 0 516.594 4.613 50 0 biogenic KJAARN CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4c[nH]c5ccc(OC)cc45)c12)OC(C)(C)CC3 ZINC000008877419 553175550 /nfs/dbraw/zinc/17/55/50/553175550.db2.gz MGNYBVQZXLVDQC-UHFFFAOYSA-N 0 0 504.583 4.687 50 0 biogenic KJAARN COc1ccc2[nH]cc(CCNC(=O)COc3cc4c(c5oc(=O)c(C)c(C)c35)CCC(C)(C)O4)c2c1 ZINC000008877655 553175543 /nfs/dbraw/zinc/17/55/43/553175543.db2.gz ZDCXTKTVNQLRGC-UHFFFAOYSA-N 0 0 504.583 4.741 50 0 biogenic KJAARN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c(=O)oc12)CCCC3 ZINC000008877690 553175495 /nfs/dbraw/zinc/17/54/95/553175495.db2.gz MVZYPZRUQFOBAB-UXHICEINSA-N 0 0 512.606 4.775 50 0 biogenic KJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C)C3)cc1 ZINC000008880782 553175950 /nfs/dbraw/zinc/17/59/50/553175950.db2.gz HRXQINSSIDZWSE-UHFFFAOYSA-N 0 0 535.732 4.756 50 0 KJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(CC)C3)cc1 ZINC000008880875 553175837 /nfs/dbraw/zinc/17/58/37/553175837.db2.gz DCUYMYORSAWMQB-UHFFFAOYSA-N 0 0 535.732 4.756 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C(C)C)C3)cc1 ZINC000008881403 553175986 /nfs/dbraw/zinc/17/59/86/553175986.db2.gz QOTSASKSJOSFRY-UHFFFAOYSA-N 0 0 535.732 4.754 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)c1ccc(-c2ccccc2)cc1 ZINC000008883006 553176101 /nfs/dbraw/zinc/17/61/01/553176101.db2.gz GHBIUZXWXONZTP-BWKNWUBXSA-N 0 0 525.630 4.576 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000008892163 553176529 /nfs/dbraw/zinc/17/65/29/553176529.db2.gz NDWONMUDMRJBAJ-HSZRJFAPSA-N 0 0 505.571 4.534 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000008892164 553176537 /nfs/dbraw/zinc/17/65/37/553176537.db2.gz NDWONMUDMRJBAJ-QHCPKHFHSA-N 0 0 505.571 4.534 50 0 KJAARN CCCC(=O)c1ccc2c(c1)OCCOCCOc1ccc(C(=O)CCC)cc1OCCOCCO2 ZINC000008892740 553176781 /nfs/dbraw/zinc/17/67/81/553176781.db2.gz VLBULYDMLNIBDV-UHFFFAOYSA-N 0 0 500.588 4.914 50 0 KJAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)cc1 ZINC000008897077 553179358 /nfs/dbraw/zinc/17/93/58/553179358.db2.gz TZROWDREUMXCLO-UHFFFAOYSA-N 0 0 503.068 4.704 50 0 KJAARN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)cc2)cc1 ZINC000008903393 553182963 /nfs/dbraw/zinc/18/29/63/553182963.db2.gz KMIHJTLKWTUPSH-UHFFFAOYSA-N 0 0 503.599 4.707 50 0 KJAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)CC2)c1 ZINC000008903395 553182942 /nfs/dbraw/zinc/18/29/42/553182942.db2.gz PPBHBALIOKECPS-UHFFFAOYSA-N 0 0 503.599 4.706 50 0 KJAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)CC2)c1 ZINC000008903397 553182977 /nfs/dbraw/zinc/18/29/77/553182977.db2.gz IPIYMUJJXXIFGG-UHFFFAOYSA-N 0 0 503.599 4.706 50 0 KJAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)CC2)c1 ZINC000008903457 553182992 /nfs/dbraw/zinc/18/29/92/553182992.db2.gz IXFMWZRYOIUXBM-UHFFFAOYSA-N 0 0 517.626 4.953 50 0 KJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000008911570 553184081 /nfs/dbraw/zinc/18/40/81/553184081.db2.gz KKVLFGZANQXRMF-UHFFFAOYSA-N 0 0 502.018 4.793 50 0 KJAARN O=C(c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1)N1CCC2(CC1)OCCO2 ZINC000008911676 553183928 /nfs/dbraw/zinc/18/39/28/553183928.db2.gz BLFNFVGHELPHJO-UHFFFAOYSA-N 0 0 518.614 4.890 50 0 KJAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4cc(Br)ccc4OC)CC3)sc2c1 ZINC000008911716 553184206 /nfs/dbraw/zinc/18/42/06/553184206.db2.gz ZWDNYIHGLSHHPL-UHFFFAOYSA-N 0 0 504.450 4.999 50 0 KJAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCCCN4CCN(c5ccccc5F)CC4)C3)nc2c(C)c1 ZINC000008911732 553184180 /nfs/dbraw/zinc/18/41/80/553184180.db2.gz GRZRSEJYNZKKPP-QFIPXVFZSA-N 0 0 509.695 4.597 50 0 KJAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NCCCN4CCN(c5ccccc5F)CC4)C3)nc2c(C)c1 ZINC000008911733 553184186 /nfs/dbraw/zinc/18/41/86/553184186.db2.gz GRZRSEJYNZKKPP-JOCHJYFZSA-N 0 0 509.695 4.597 50 0 KJAARN Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCCCN3CCCC3=O)cc2)c1 ZINC000008911964 553184913 /nfs/dbraw/zinc/18/49/13/553184913.db2.gz LWJGVEMKABRNGS-UHFFFAOYSA-N 0 0 513.667 4.823 50 0 KJAARN O=C(c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1)N1CCC2(CC1)OCCO2 ZINC000008912910 553185301 /nfs/dbraw/zinc/18/53/01/553185301.db2.gz GDXCFYBEBLNUNE-UHFFFAOYSA-N 0 0 500.624 4.751 50 0 KJAARN CCOc1ccc(-c2cn3c4ccc(C(=O)N5CCN(C(=O)c6ccco6)CC5)cc4sc3n2)cc1 ZINC000008912913 553185320 /nfs/dbraw/zinc/18/53/20/553185320.db2.gz WJASVXMXMPHONW-UHFFFAOYSA-N 0 0 500.580 4.806 50 0 KJAARN Cc1ccc(C(O)=C2[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915333 553186339 /nfs/dbraw/zinc/18/63/39/553186339.db2.gz WLHYSJSSHHCULO-WFIHMLKPSA-N 0 0 520.511 4.952 50 0 KJAARN Cc1ccc(C(O)=C2[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915335 553186287 /nfs/dbraw/zinc/18/62/87/553186287.db2.gz WLHYSJSSHHCULO-CAKYRVLISA-N 0 0 520.511 4.952 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000008917090 553187166 /nfs/dbraw/zinc/18/71/66/553187166.db2.gz HWGAQDMQLMBKGF-HHHXNRCGSA-N 0 0 515.562 4.924 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000008917091 553187189 /nfs/dbraw/zinc/18/71/89/553187189.db2.gz HWGAQDMQLMBKGF-MHZLTWQESA-N 0 0 515.562 4.924 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000008917092 553187191 /nfs/dbraw/zinc/18/71/91/553187191.db2.gz CZXIZBIBMYCKCE-AREMUKBSSA-N 0 0 501.535 4.621 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000008917093 553187190 /nfs/dbraw/zinc/18/71/90/553187190.db2.gz CZXIZBIBMYCKCE-SANMLTNESA-N 0 0 501.535 4.621 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008917094 553187126 /nfs/dbraw/zinc/18/71/26/553187126.db2.gz SGZRLCCDKRAZKT-AREMUKBSSA-N 0 0 515.562 4.924 50 0 KJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1nc(S(=O)(=O)Cc2cccc(C)c2)ncc1Cl ZINC000008917393 553187181 /nfs/dbraw/zinc/18/71/81/553187181.db2.gz UPLFFGUAKQTDGA-UHFFFAOYSA-N 0 0 508.021 4.520 50 0 KJAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000008917556 553187198 /nfs/dbraw/zinc/18/71/98/553187198.db2.gz RRAKEEANJNPORZ-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3c[nH]c4ccccc34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008917750 553187197 /nfs/dbraw/zinc/18/71/97/553187197.db2.gz BHCOVAYRUGCBDE-VWLOTQADSA-N 0 0 527.621 4.999 50 0 biogenic KJAARN C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008917897 553187266 /nfs/dbraw/zinc/18/72/66/553187266.db2.gz NJGWSWKGLBTOIW-STEGJCBOSA-N 0 0 504.671 4.751 50 0 biogenic KJAARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000008917898 553187341 /nfs/dbraw/zinc/18/73/41/553187341.db2.gz NJGWSWKGLBTOIW-RLRKROCYSA-N 0 0 504.671 4.751 50 0 biogenic KJAARN C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000008917899 553187362 /nfs/dbraw/zinc/18/73/62/553187362.db2.gz NJGWSWKGLBTOIW-MCWCXMHISA-N 0 0 504.671 4.751 50 0 biogenic KJAARN C[C@@H](C(=O)NCC(c1ccccc1)c1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918052 553187534 /nfs/dbraw/zinc/18/75/34/553187534.db2.gz PMPANDGRNKWFKA-GEFUHLBYSA-N 0 0 506.606 4.540 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)N[C@@H](C)c4ccccc4)cc2)C(=O)[C@]31C ZINC000008918071 553187595 /nfs/dbraw/zinc/18/75/95/553187595.db2.gz GZJGIXMAUBITFQ-PBYQXAPXSA-N 0 0 508.578 4.908 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)N[C@H](C)c4ccccc4)cc2)C(=O)[C@]31C ZINC000008918072 553187570 /nfs/dbraw/zinc/18/75/70/553187570.db2.gz GZJGIXMAUBITFQ-JJCDCTGGSA-N 0 0 508.578 4.908 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCc2ccc(C)cc2)C(=O)[C@]31C ZINC000008918090 553187617 /nfs/dbraw/zinc/18/76/17/553187617.db2.gz KGEMOMLPSQONDO-PMERELPUSA-N 0 0 508.578 4.655 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCc2ccc(F)cc2)C(=O)[C@]31C ZINC000008918098 553187562 /nfs/dbraw/zinc/18/75/62/553187562.db2.gz MFKKOLJBUKZTNI-PMERELPUSA-N 0 0 526.568 4.528 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCc2ccccc2F)C(=O)[C@]31C ZINC000008918106 553187540 /nfs/dbraw/zinc/18/75/40/553187540.db2.gz PMYSZWQMABDASA-PMERELPUSA-N 0 0 526.568 4.528 50 0 biogenic KJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)N4CCc5c6ccccc6[nH]c5[C@@]4(C)C3=O)cc2)cc1 ZINC000008918132 553187557 /nfs/dbraw/zinc/18/75/57/553187557.db2.gz DNXQWMCZENSMJB-LJAQVGFWSA-N 0 0 507.550 4.619 50 0 biogenic KJAARN C[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008918181 553187837 /nfs/dbraw/zinc/18/78/37/553187837.db2.gz MXTJQBHWHSAZIO-MNAQKMTRSA-N 0 0 520.633 4.930 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)N[C@@H](C)c2ccccc2)C(=O)[C@]31C ZINC000008918260 553187806 /nfs/dbraw/zinc/18/78/06/553187806.db2.gz QXCOZRQGZHCEPU-PBYQXAPXSA-N 0 0 508.578 4.908 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)N[C@H](C)c2ccccc2)C(=O)[C@]31C ZINC000008918261 553187849 /nfs/dbraw/zinc/18/78/49/553187849.db2.gz QXCOZRQGZHCEPU-JJCDCTGGSA-N 0 0 508.578 4.908 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)NC4CCC(C)CC4)cc2)C(=O)[C@]31C ZINC000008918322 553187991 /nfs/dbraw/zinc/18/79/91/553187991.db2.gz XSHANCURWIIYQQ-BWHVJGLUSA-N 0 0 500.599 4.725 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC2CCCCCC2)C(=O)[C@]31C ZINC000008918360 553188014 /nfs/dbraw/zinc/18/80/14/553188014.db2.gz LFOSRHIVOZSMBV-LJAQVGFWSA-N 0 0 500.599 4.869 50 0 biogenic KJAARN COc1ccc(NC(=O)c2ccc(N3C(=O)N4CCc5c6cc(OC)ccc6[nH]c5[C@@]4(C)C3=O)cc2)cc1 ZINC000008918408 553188281 /nfs/dbraw/zinc/18/82/81/553188281.db2.gz SWGPVFNWKNBBSZ-LJAQVGFWSA-N 0 0 510.550 4.678 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)NC4CCCCCC4)cc2)C(=O)[C@]31C ZINC000008918446 553188276 /nfs/dbraw/zinc/18/82/76/553188276.db2.gz NICNVEYRUMQCRI-LJAQVGFWSA-N 0 0 500.599 4.869 50 0 biogenic KJAARN COc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918782 553188496 /nfs/dbraw/zinc/18/84/96/553188496.db2.gz OSPBGPXPDLXQJL-UHFFFAOYSA-N 0 0 509.024 4.592 50 0 KJAARN COc1ccc(N(CC(=O)NCCSCc2ccccc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918789 553188765 /nfs/dbraw/zinc/18/87/65/553188765.db2.gz FXTNUPOLAUTZSO-UHFFFAOYSA-N 0 0 523.051 4.733 50 0 KJAARN COc1ccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918791 553188755 /nfs/dbraw/zinc/18/87/55/553188755.db2.gz RXNGBCHJMVPVEX-UHFFFAOYSA-N 0 0 523.051 4.733 50 0 KJAARN COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918796 553188790 /nfs/dbraw/zinc/18/87/90/553188790.db2.gz YMLCSOOAMXUZGQ-UHFFFAOYSA-N 0 0 523.051 4.733 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918860 553188760 /nfs/dbraw/zinc/18/87/60/553188760.db2.gz RUOZAJRQBSAXJR-UHFFFAOYSA-N 0 0 507.381 4.739 50 0 KJAARN COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Br)s3)c3ccccc32)cc1OC ZINC000008919086 553188784 /nfs/dbraw/zinc/18/87/84/553188784.db2.gz NFWMOHWMEAUGLZ-HSZRJFAPSA-N 0 0 502.386 4.535 50 0 KJAARN COc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(Br)s3)c3ccccc32)cc1OC ZINC000008919091 553188757 /nfs/dbraw/zinc/18/87/57/553188757.db2.gz NFWMOHWMEAUGLZ-QHCPKHFHSA-N 0 0 502.386 4.535 50 0 KJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccco4)c(OCC)c2)N3)C1 ZINC000008920748 553189520 /nfs/dbraw/zinc/18/95/20/553189520.db2.gz UVCHXLOBJWADLW-NRFANRHFSA-N 0 0 511.556 4.903 50 0 KJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccco4)c(OCC)c2)N3)C1 ZINC000008920754 553189426 /nfs/dbraw/zinc/18/94/26/553189426.db2.gz UVCHXLOBJWADLW-OAQYLSRUSA-N 0 0 511.556 4.903 50 0 KJAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cc2ccccc2oc1=O ZINC000008920998 553189543 /nfs/dbraw/zinc/18/95/43/553189543.db2.gz BGRZDDMYJAAULU-AREMUKBSSA-N 0 0 504.336 4.563 50 0 KJAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cc2ccccc2oc1=O ZINC000008921004 553189421 /nfs/dbraw/zinc/18/94/21/553189421.db2.gz BGRZDDMYJAAULU-SANMLTNESA-N 0 0 504.336 4.563 50 0 KJAARN COc1ccc(C(=O)C[C@]2(O)c3cc(Br)ccc3N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000008921127 553189540 /nfs/dbraw/zinc/18/95/40/553189540.db2.gz QFWOSRBXRMSIJK-SANMLTNESA-N 0 0 510.384 4.516 50 0 KJAARN COc1ccc(C(=O)C[C@@]2(O)c3cc(Br)ccc3N(CCc3ccccc3)C2=O)c(OC)c1 ZINC000008921134 553189546 /nfs/dbraw/zinc/18/95/46/553189546.db2.gz QFWOSRBXRMSIJK-AREMUKBSSA-N 0 0 510.384 4.516 50 0 KJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)c(OC)c2)N3)C1 ZINC000008921193 553189669 /nfs/dbraw/zinc/18/96/69/553189669.db2.gz BROAYMZFAZSJPZ-FQEVSTJZSA-N 0 0 513.597 4.981 50 0 KJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)c(OC)c2)N3)C1 ZINC000008921197 553189704 /nfs/dbraw/zinc/18/97/04/553189704.db2.gz BROAYMZFAZSJPZ-HXUWFJFHSA-N 0 0 513.597 4.981 50 0 KJAARN CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1 ZINC000008922127 553190054 /nfs/dbraw/zinc/19/00/54/553190054.db2.gz WSFJGEKATXBBLJ-UHFFFAOYSA-N 0 0 521.522 4.599 50 0 KJAARN O=C(CCCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)Nc1ccc(Br)cc1 ZINC000008922216 553190050 /nfs/dbraw/zinc/19/00/50/553190050.db2.gz ZGVJFOUPMCPMFW-UHFFFAOYSA-N 0 0 514.328 4.796 50 0 KJAARN Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000008922262 553190051 /nfs/dbraw/zinc/19/00/51/553190051.db2.gz SOTQNNHZYMQFSE-UHFFFAOYSA-N 0 0 514.328 4.715 50 0 KJAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)CCC(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000008922278 553190052 /nfs/dbraw/zinc/19/00/52/553190052.db2.gz VCFPAOWGJWVXJR-UHFFFAOYSA-N 0 0 509.580 4.524 50 0 KJAARN Cc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000008922296 553190061 /nfs/dbraw/zinc/19/00/61/553190061.db2.gz RKUJWKQAKUMOEL-UHFFFAOYSA-N 0 0 509.580 4.606 50 0 KJAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)CCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000008922307 553190059 /nfs/dbraw/zinc/19/00/59/553190059.db2.gz SJQVMZRFXQXYGT-UHFFFAOYSA-N 0 0 509.580 4.524 50 0 KJAARN O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(I)cc1 ZINC000008922495 553190256 /nfs/dbraw/zinc/19/02/56/553190256.db2.gz ONEXSOFCQQUYGP-RUZDIDTESA-N 0 0 511.359 4.731 50 0 KJAARN O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(I)cc1 ZINC000008922499 553190277 /nfs/dbraw/zinc/19/02/77/553190277.db2.gz ONEXSOFCQQUYGP-VWLOTQADSA-N 0 0 511.359 4.731 50 0 KJAARN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)cc1 ZINC000008924003 553190867 /nfs/dbraw/zinc/19/08/67/553190867.db2.gz BUVRNYFDQGPPBD-OAQYLSRUSA-N 0 0 505.954 4.955 50 0 KJAARN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)cc1 ZINC000008924005 553190855 /nfs/dbraw/zinc/19/08/55/553190855.db2.gz BUVRNYFDQGPPBD-NRFANRHFSA-N 0 0 505.954 4.955 50 0 KJAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1=O ZINC000008924023 553190875 /nfs/dbraw/zinc/19/08/75/553190875.db2.gz RFQFLXBURDWJDU-HXUWFJFHSA-N 0 0 521.953 4.655 50 0 KJAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1=O ZINC000008924025 553190877 /nfs/dbraw/zinc/19/08/77/553190877.db2.gz RFQFLXBURDWJDU-FQEVSTJZSA-N 0 0 521.953 4.655 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2)cc1OC ZINC000008931618 553192345 /nfs/dbraw/zinc/19/23/45/553192345.db2.gz OPCNHLCGIRVPQO-OAQYLSRUSA-N 0 0 509.002 4.648 50 0 KJAARN COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2)cc1OC ZINC000008931621 553192636 /nfs/dbraw/zinc/19/26/36/553192636.db2.gz OPCNHLCGIRVPQO-NRFANRHFSA-N 0 0 509.002 4.648 50 0 KJAARN Cn1c(Oc2ccc(-c3ccccc3)cc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C ZINC000008934448 553192852 /nfs/dbraw/zinc/19/28/52/553192852.db2.gz FJRWSLDCBHZULK-UHFFFAOYSA-N 0 0 517.383 4.704 50 0 KJAARN Cn1c2nc(Oc3ccc(-c4ccccc4)cc3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000008934459 553192909 /nfs/dbraw/zinc/19/29/09/553192909.db2.gz IHBBQHPWDYCUCQ-UHFFFAOYSA-N 0 0 517.383 4.704 50 0 KJAARN CSc1nc2c(cnn2CCNC(=O)c2c(C)onc2-c2ccccc2Cl)c(NCC(C)C)n1 ZINC000008942928 553193511 /nfs/dbraw/zinc/19/35/11/553193511.db2.gz VCHMFYJMCFUAHO-UHFFFAOYSA-N 0 0 500.028 4.663 50 0 KJAARN CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000008948162 553193499 /nfs/dbraw/zinc/19/34/99/553193499.db2.gz QAEKBWQTQOXZCV-UHFFFAOYSA-N 0 0 500.028 4.807 50 0 KJAARN CCSc1nc2c(cnn2CCNC(=O)c2c(C)onc2-c2ccccc2Cl)c(NC(C)C)n1 ZINC000008948696 553193467 /nfs/dbraw/zinc/19/34/67/553193467.db2.gz ZZVHFTMFEOBFKA-UHFFFAOYSA-N 0 0 500.028 4.805 50 0 KJAARN COC(=O)[C@@H](C)N1C(=S)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000008951172 553193457 /nfs/dbraw/zinc/19/34/57/553193457.db2.gz UYQMQANBWUDVBO-BFUOFWGJSA-N 0 0 511.431 4.990 50 0 KJAARN COC(=O)[C@H](C)N1C(=S)N(c2ccc(Cl)cc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000008951173 553193503 /nfs/dbraw/zinc/19/35/03/553193503.db2.gz UYQMQANBWUDVBO-DJJJIMSYSA-N 0 0 511.431 4.990 50 0 KJAARN COC(=O)[C@H](C)N1C(=S)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000008951395 553193432 /nfs/dbraw/zinc/19/34/32/553193432.db2.gz UYQMQANBWUDVBO-ORAYPTAESA-N 0 0 511.431 4.990 50 0 KJAARN COC(=O)[C@@H](C)N1C(=S)N(c2ccc(Cl)cc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000008951396 553193472 /nfs/dbraw/zinc/19/34/72/553193472.db2.gz UYQMQANBWUDVBO-YJYMSZOUSA-N 0 0 511.431 4.990 50 0 KJAARN CCC(=O)NC(c1cc(OC)c(OC)cc1Br)c1cc(OC)c(OC)cc1Br ZINC000008952177 553194007 /nfs/dbraw/zinc/19/40/07/553194007.db2.gz HHXUWPRORSNCDX-UHFFFAOYSA-N 0 0 517.214 4.862 50 0 KJAARN COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)cc2oc1=O ZINC000008952441 553193958 /nfs/dbraw/zinc/19/39/58/553193958.db2.gz SWGFDQAODUYNTN-UHFFFAOYSA-N 0 0 521.994 4.707 50 0 KJAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 ZINC000008952599 553194326 /nfs/dbraw/zinc/19/43/26/553194326.db2.gz OZMFPBQOYXWXSU-IXXIRNOKSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN CC(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000008964784 553194759 /nfs/dbraw/zinc/19/47/59/553194759.db2.gz ZGUNVYSSRMGHBO-YIPGRGJBSA-N 0 0 512.949 4.631 50 0 biogenic KJAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCC(=O)N3[C@H]3OC(=O)c4c3ccc(OC)c4OC)ccc21 ZINC000008964890 553194795 /nfs/dbraw/zinc/19/47/95/553194795.db2.gz JMGMSZDOGDGSIK-DWACAAAGSA-N 0 0 513.550 4.630 50 0 biogenic KJAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCC(=O)N3[C@@H]3OC(=O)c4c3ccc(OC)c4OC)ccc21 ZINC000008964891 553194763 /nfs/dbraw/zinc/19/47/63/553194763.db2.gz JMGMSZDOGDGSIK-RBISFHTESA-N 0 0 513.550 4.630 50 0 biogenic KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000008970534 553195296 /nfs/dbraw/zinc/19/52/96/553195296.db2.gz USANELVXOZISRY-XMMPIXPASA-N 0 0 519.598 4.529 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000008970537 553195160 /nfs/dbraw/zinc/19/51/60/553195160.db2.gz USANELVXOZISRY-DEOSSOPVSA-N 0 0 519.598 4.529 50 0 KJAARN CC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4nc(C(C)C)c5c(c43)CC(C)(C)OC5)c2=O)cc1 ZINC000008991278 553197064 /nfs/dbraw/zinc/19/70/64/553197064.db2.gz ZJNXZAKMFJNBMP-UHFFFAOYSA-N 0 0 504.612 4.822 50 0 KJAARN COC(=O)[C@H](CCSC)NC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000008993244 553197057 /nfs/dbraw/zinc/19/70/57/553197057.db2.gz FLULVLCYCBVORD-QFIPXVFZSA-N 0 0 500.064 4.736 50 0 KJAARN CCOCCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000008997896 553197924 /nfs/dbraw/zinc/19/79/24/553197924.db2.gz ZCDYZYHDIWKPKG-RQZHXJHFSA-N 0 0 517.717 4.783 50 0 KJAARN CC1(C)Cc2c3c(N)c(C(=O)Nc4ccc(Br)cc4)sc3nc(N3CCOCC3)c2CO1 ZINC000009007938 553198287 /nfs/dbraw/zinc/19/82/87/553198287.db2.gz XZAUJIZNECYZDI-UHFFFAOYSA-N 0 0 517.449 4.581 50 0 KJAARN CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccc(F)cc2)c1 ZINC000009012636 553199935 /nfs/dbraw/zinc/19/99/35/553199935.db2.gz JKLDGINAXHKNAC-RUZDIDTESA-N 0 0 521.614 4.807 50 0 KJAARN CCOc1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccc(F)cc2)c1 ZINC000009012638 553199924 /nfs/dbraw/zinc/19/99/24/553199924.db2.gz JKLDGINAXHKNAC-VWLOTQADSA-N 0 0 521.614 4.807 50 0 KJAARN CCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc4c(c3)OCO4)C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000009013295 553200158 /nfs/dbraw/zinc/20/01/58/553200158.db2.gz XJVJENIKBGASAM-HSZRJFAPSA-N 0 0 520.969 4.832 50 0 KJAARN COc1ccc(CCN(C(=S)Nc2ccccc2)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000009015618 553200386 /nfs/dbraw/zinc/20/03/86/553200386.db2.gz NUEDJFLUYYPZIW-JOCHJYFZSA-N 0 0 524.042 4.931 50 0 KJAARN CC(C)(C)c1cc(=O)[nH]c2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n21 ZINC000009018792 553200773 /nfs/dbraw/zinc/20/07/73/553200773.db2.gz ORHXMVBIESIVGQ-KRWDZBQOSA-N 0 0 510.620 4.798 50 0 KJAARN CC(C)(C)c1cc(=O)[nH]c2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n21 ZINC000009018793 553200754 /nfs/dbraw/zinc/20/07/54/553200754.db2.gz ORHXMVBIESIVGQ-QGZVFWFLSA-N 0 0 510.620 4.798 50 0 KJAARN CCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)c(OC)c3)C(=O)c3ccccc3)C2=O)cc1 ZINC000009019435 553201016 /nfs/dbraw/zinc/20/10/16/553201016.db2.gz YDHIMSTWMSCLRT-RUZDIDTESA-N 0 0 516.594 4.510 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)NC1CCCCC1 ZINC000009019436 553201027 /nfs/dbraw/zinc/20/10/27/553201027.db2.gz DLJAIGKEZWGQJK-UHFFFAOYSA-N 0 0 529.666 4.988 50 0 KJAARN CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(OCC)cc3)cc21 ZINC000009030625 553201605 /nfs/dbraw/zinc/20/16/05/553201605.db2.gz UKATZHMNJDIFPV-UHFFFAOYSA-N 0 0 508.552 4.747 50 0 KJAARN CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009033298 553201567 /nfs/dbraw/zinc/20/15/67/553201567.db2.gz ZFAJABLUVTWCJB-OCDGACMBSA-N 0 0 500.680 4.997 50 0 biogenic KJAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)cc2)N1C(=O)Nc1ccc(OC)cc1OC ZINC000009033947 553201693 /nfs/dbraw/zinc/20/16/93/553201693.db2.gz PJIPYDGONPUTNF-SHQCIBLASA-N 0 0 515.566 4.915 50 0 biogenic KJAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)cc2)N1C(=O)Nc1ccc(OC)cc1OC ZINC000009033948 553201752 /nfs/dbraw/zinc/20/17/52/553201752.db2.gz PJIPYDGONPUTNF-SQHAQQRYSA-N 0 0 515.566 4.915 50 0 biogenic KJAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1C(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 ZINC000009033973 553201954 /nfs/dbraw/zinc/20/19/54/553201954.db2.gz PHFUSZVUZJVKMO-VWLOTQADSA-N 0 0 522.557 4.755 50 0 biogenic KJAARN CCCCc1cc(=O)oc2cc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)c(Cl)cc12 ZINC000009034013 553201899 /nfs/dbraw/zinc/20/18/99/553201899.db2.gz QNQXIMBSSPETOS-QHCPKHFHSA-N 0 0 522.985 4.776 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCCCC3)cc2)cc1 ZINC000009034251 553202100 /nfs/dbraw/zinc/20/21/00/553202100.db2.gz IUYSUKSELSWIMO-QOMWVZHYSA-N 0 0 504.608 4.546 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccccc2)cc1 ZINC000009042451 553202645 /nfs/dbraw/zinc/20/26/45/553202645.db2.gz NCRKYCAWMOOSPF-XMMPIXPASA-N 0 0 519.598 4.576 50 0 KJAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000009043538 553202887 /nfs/dbraw/zinc/20/28/87/553202887.db2.gz CULPIPBAMDVJJT-NHKZQCCDSA-N 0 0 500.064 4.536 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000009044075 553203134 /nfs/dbraw/zinc/20/31/34/553203134.db2.gz QLGNDGKHDYPILY-UHFFFAOYSA-N 0 0 515.639 4.551 50 0 KJAARN Cc1cccc(-n2c(/C=C3\C(=O)Nc4ccccc43)nc3ccc(I)cc3c2=O)c1 ZINC000009044102 553203125 /nfs/dbraw/zinc/20/31/25/553203125.db2.gz KCXNUPFATBOMQU-AQTBWJFISA-N 0 0 505.315 4.791 50 0 KJAARN CCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)cc3)C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000009045663 553203503 /nfs/dbraw/zinc/20/35/03/553203503.db2.gz ZAZQFQAEJIFECL-RUZDIDTESA-N 0 0 506.986 4.764 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccc(Cl)cc2)cc1 ZINC000009046486 553203988 /nfs/dbraw/zinc/20/39/88/553203988.db2.gz YESISLCAZRCXGE-DEOSSOPVSA-N 0 0 524.042 4.931 50 0 KJAARN CNC(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c3ccccc32)cc1 ZINC000009046744 553204242 /nfs/dbraw/zinc/20/42/42/553204242.db2.gz OBTBACHTCLUWJX-UHFFFAOYSA-N 0 0 515.639 4.883 50 0 KJAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1ccccc1F ZINC000009057734 553204638 /nfs/dbraw/zinc/20/46/38/553204638.db2.gz UYIZDXADOBUKNN-MTJSOVHGSA-N 0 0 511.372 4.946 50 0 KJAARN COc1ccc(OC)c(Nc2nc(Nc3cc(OC)ccc3OC)nc(Sc3nnc(C)s3)n2)c1 ZINC000009057845 553204931 /nfs/dbraw/zinc/20/49/31/553204931.db2.gz KSJZXBUYHKYXLN-UHFFFAOYSA-N 0 0 513.605 4.704 50 0 KJAARN CCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2c1=O ZINC000009060800 553204929 /nfs/dbraw/zinc/20/49/29/553204929.db2.gz SHEFJMWMZDISEY-UHFFFAOYSA-N 0 0 502.631 4.528 50 0 KJAARN COCCNC(=O)c1c2nc3ccccc3nc2n(Cc2ccccc2)c1NC(=O)/C=C/c1ccccc1 ZINC000009065218 553205691 /nfs/dbraw/zinc/20/56/91/553205691.db2.gz WBLARDQKESRKTA-WUKNDPDISA-N 0 0 505.578 4.661 50 0 KJAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(N(C)C)cc3)C(=S)N2Cc2ccc(OC)cc2)cc1 ZINC000009065379 553205916 /nfs/dbraw/zinc/20/59/16/553205916.db2.gz WJZVMRPPSCDNDH-AREMUKBSSA-N 0 0 516.667 4.855 50 0 KJAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(N(C)C)cc3)C(=S)N2Cc2ccc(OC)cc2)cc1 ZINC000009065381 553205925 /nfs/dbraw/zinc/20/59/25/553205925.db2.gz WJZVMRPPSCDNDH-SANMLTNESA-N 0 0 516.667 4.855 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(Cl)c3)n2-c2ccccc2)cc1OC ZINC000009067393 1066517704 /nfs/dbraw/zinc/51/77/04/1066517704.db2.gz UGJYLCKWVVKCSD-UHFFFAOYSA-N 0 0 508.003 4.847 50 0 KJAARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3ccccc3OC)C2)cc1OC ZINC000009075316 553207334 /nfs/dbraw/zinc/20/73/34/553207334.db2.gz SKBFYZFEGVELGK-NRFANRHFSA-N 0 0 506.555 4.730 50 0 KJAARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](c3ccccc3OC)C2)cc1OC ZINC000009075317 553207327 /nfs/dbraw/zinc/20/73/27/553207327.db2.gz SKBFYZFEGVELGK-OAQYLSRUSA-N 0 0 506.555 4.730 50 0 KJAARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2oc1CN1CCN(c2ccccc2)CC1 ZINC000009075752 553207510 /nfs/dbraw/zinc/20/75/10/553207510.db2.gz APGIEDSGAWNELW-UHFFFAOYSA-N 0 0 501.377 4.620 50 0 KJAARN O=C(NCCCn1ccnc1)/C(=C\c1cccc2ccccc12)NC(=O)c1cccc(Br)c1 ZINC000009075787 553207492 /nfs/dbraw/zinc/20/74/92/553207492.db2.gz PMYGUHBKCAJHMQ-JJIBRWJFSA-N 0 0 503.400 4.776 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCc2ccc(Cl)cc2)cc1 ZINC000009075901 553207503 /nfs/dbraw/zinc/20/75/03/553207503.db2.gz QDGMTDZIKCBWOE-XMMPIXPASA-N 0 0 508.043 4.918 50 0 KJAARN CS(=O)(=O)Nc1cc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)ccc1N1CCOCC1 ZINC000009076511 553207973 /nfs/dbraw/zinc/20/79/73/553207973.db2.gz LGVKSHYVEKWRQP-UHFFFAOYSA-N 0 0 510.019 4.902 50 0 KJAARN COc1ccccc1Nc1nc(Nc2ccccc2OC)nc(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000009086498 553208555 /nfs/dbraw/zinc/20/85/55/553208555.db2.gz JXGWBYNGEXXVMA-UHFFFAOYSA-N 0 0 501.566 4.842 50 0 KJAARN COc1cc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC ZINC000009087444 553208733 /nfs/dbraw/zinc/20/87/33/553208733.db2.gz HBZDQSGIPZLMIV-UHFFFAOYSA-N 0 0 508.419 4.725 50 0 KJAARN O=C(C[C@@H]1C(=O)N(CCc2ccccc2)C(=S)N1Cc1ccco1)Nc1ccc(Br)cc1 ZINC000009088068 553208786 /nfs/dbraw/zinc/20/87/86/553208786.db2.gz ZGLVFEFZPSXCHS-OAQYLSRUSA-N 0 0 512.429 4.611 50 0 KJAARN O=C1C[C@@H](N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000009088244 553208922 /nfs/dbraw/zinc/20/89/22/553208922.db2.gz MJWZEVSPMGXXMN-RUZDIDTESA-N 0 0 519.439 4.729 50 0 KJAARN CC(=O)O[C@@H](C(=O)N=c1sc2cc(C)ccc2n1C(=O)[C@H](OC(C)=O)c1ccccc1)c1ccccc1 ZINC000009088415 553208920 /nfs/dbraw/zinc/20/89/20/553208920.db2.gz QJVVMTWAUVLGRR-VFBDJFQSSA-N 0 0 516.575 4.688 50 0 KJAARN CC(=O)O[C@@H](C(=O)n1c2ccc(C)cc2sc1=NC(=O)[C@@H](OC(C)=O)c1ccccc1)c1ccccc1 ZINC000009088416 553208942 /nfs/dbraw/zinc/20/89/42/553208942.db2.gz QJVVMTWAUVLGRR-ILOMXLGMSA-N 0 0 516.575 4.688 50 0 KJAARN CC(=O)O[C@@H](C(=O)N=c1sc2cc(C)ccc2n1C(=O)[C@@H](OC(C)=O)c1ccccc1)c1ccccc1 ZINC000009088417 553208909 /nfs/dbraw/zinc/20/89/09/553208909.db2.gz QJVVMTWAUVLGRR-AJEVAFEQSA-N 0 0 516.575 4.688 50 0 KJAARN CC(C)(C)C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000009094758 553209304 /nfs/dbraw/zinc/20/93/04/553209304.db2.gz DGTSANDCMFBVSA-BSPICSQLSA-N 0 0 521.613 4.648 50 0 KJAARN Cc1ccc2[nH]c(SCC(=O)Nc3cccc(NC(=O)CSc4nc5cc(C)ccc5[nH]4)n3)nc2c1 ZINC000009096237 553209477 /nfs/dbraw/zinc/20/94/77/553209477.db2.gz FISGSTUIPITNBF-UHFFFAOYSA-N 0 0 517.640 4.913 50 0 KJAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000009111195 553210259 /nfs/dbraw/zinc/21/02/59/553210259.db2.gz WDKOIKGDAKLJBU-LCUIVBHPSA-N 0 0 508.574 4.656 50 0 KJAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000009111196 553210263 /nfs/dbraw/zinc/21/02/63/553210263.db2.gz WDKOIKGDAKLJBU-KFZSMJGVSA-N 0 0 508.574 4.656 50 0 KJAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009111197 553210281 /nfs/dbraw/zinc/21/02/81/553210281.db2.gz WDKOIKGDAKLJBU-WCUAIIBCSA-N 0 0 508.574 4.656 50 0 KJAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009111198 553210352 /nfs/dbraw/zinc/21/03/52/553210352.db2.gz 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COc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)c1 ZINC000009116191 553210916 /nfs/dbraw/zinc/21/09/16/553210916.db2.gz JVIANAUTJGGKIN-UHFFFAOYSA-N 0 0 500.580 4.775 50 0 KJAARN COc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4F)n2)Cc2c(CO)cnc(C)c2O3)c1 ZINC000009116194 553210911 /nfs/dbraw/zinc/21/09/11/553210911.db2.gz QPGWVZYEZHCNRC-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN COc1cccc(-c2nc3c(c(SCC(=O)N(C)c4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)c1 ZINC000009116195 553210896 /nfs/dbraw/zinc/21/08/96/553210896.db2.gz XRYJUJRHJQNUPL-UHFFFAOYSA-N 0 0 514.607 4.800 50 0 KJAARN COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)cc1 ZINC000009116204 553210906 /nfs/dbraw/zinc/21/09/06/553210906.db2.gz SCJZIDFKPFEYFR-UHFFFAOYSA-N 0 0 500.580 4.775 50 0 KJAARN COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4F)n2)Cc2c(CO)cnc(C)c2O3)cc1 ZINC000009116208 553210907 /nfs/dbraw/zinc/21/09/07/553210907.db2.gz BRYZZCQOIYOCMP-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccc(F)cc4)n2)Cc2c(CO)cnc(C)c2O3)cc1 ZINC000009116210 553210894 /nfs/dbraw/zinc/21/08/94/553210894.db2.gz HPAQQMVMLYPVKN-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN COc1ccc(-c2nc3c(c(SCC(=O)N(C)c4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)cc1 ZINC000009116211 553210900 /nfs/dbraw/zinc/21/09/00/553210900.db2.gz BNERGRQAFDTMIW-UHFFFAOYSA-N 0 0 514.607 4.800 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2c1Cc1c(CO)cnc(C)c1O2 ZINC000009116284 553211187 /nfs/dbraw/zinc/21/11/87/553211187.db2.gz KZGJVJZDLLSOGM-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN COc1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2Cc2c(CO)cnc(C)c2O3)c1 ZINC000009116285 553211125 /nfs/dbraw/zinc/21/11/25/553211125.db2.gz IARVTIYUJMDGFZ-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 ZINC000009116287 553211186 /nfs/dbraw/zinc/21/11/86/553211186.db2.gz KMHRUXCOUNZYKA-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2F)nc2c1Cc1c(CO)cnc(C)c1O2 ZINC000009116308 553211272 /nfs/dbraw/zinc/21/12/72/553211272.db2.gz BRXVGNGVEAFURB-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN COc1cccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2Cc2c(CO)cnc(C)c2O3)c1 ZINC000009116310 553211265 /nfs/dbraw/zinc/21/12/65/553211265.db2.gz IPAFJCKNQQYAGS-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 ZINC000009116311 553211310 /nfs/dbraw/zinc/21/13/10/553211310.db2.gz PZEFNTDUXOISFB-UHFFFAOYSA-N 0 0 518.570 4.914 50 0 KJAARN Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3F)nc(SCC(=O)N(C)c3ccccc3)c1C2 ZINC000009116318 553211304 /nfs/dbraw/zinc/21/13/04/553211304.db2.gz WSLUOOAFPRJBAT-UHFFFAOYSA-N 0 0 502.571 4.930 50 0 KJAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1 ZINC000009116591 553211540 /nfs/dbraw/zinc/21/15/40/553211540.db2.gz ZHCCJPHHLHWYGR-UHFFFAOYSA-N 0 0 503.942 4.567 50 0 KJAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccc(C)cc3Cl)c2=O)cc1 ZINC000009116596 553211534 /nfs/dbraw/zinc/21/15/34/553211534.db2.gz HRJLSULXRQFEND-UHFFFAOYSA-N 0 0 503.942 4.567 50 0 KJAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCc4ccc(Cl)cc4Cl)nn32)cc1 ZINC000009116734 553211618 /nfs/dbraw/zinc/21/16/18/553211618.db2.gz UGKWRKUDKUFSGQ-UHFFFAOYSA-N 0 0 508.456 4.553 50 0 KJAARN Cc1ccc(CNc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)cc1 ZINC000009116934 553211674 /nfs/dbraw/zinc/21/16/74/553211674.db2.gz UIPONWYUTBVXSS-UHFFFAOYSA-N 0 0 514.430 4.855 50 0 KJAARN CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccsc21 ZINC000009116935 553211679 /nfs/dbraw/zinc/21/16/79/553211679.db2.gz GSZPCKPHPBULTR-UHFFFAOYSA-N 0 0 514.430 4.571 50 0 KJAARN Cc1cccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)c1 ZINC000009116936 553211648 /nfs/dbraw/zinc/21/16/48/553211648.db2.gz DCUPIVRXOGOOBT-UHFFFAOYSA-N 0 0 500.403 4.986 50 0 KJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)cc1 ZINC000009116937 553211638 /nfs/dbraw/zinc/21/16/38/553211638.db2.gz URTSYCNRVXKPEZ-UHFFFAOYSA-N 0 0 500.403 4.986 50 0 KJAARN O=S(=O)(c1nnn2c3ccsc3c(Nc3cccc(F)c3)nc12)c1ccc(Br)cc1 ZINC000009116938 553211676 /nfs/dbraw/zinc/21/16/76/553211676.db2.gz CZQDDSJWVULZNH-UHFFFAOYSA-N 0 0 504.366 4.817 50 0 KJAARN COc1ccc(CCNC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1OC ZINC000009118452 553211893 /nfs/dbraw/zinc/21/18/93/553211893.db2.gz YABXCAGURXETST-UHFFFAOYSA-N 0 0 509.672 4.512 50 0 KJAARN C[C@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(Br)cc3)c3ccccc32)C[C@H](C)O1 ZINC000009118551 553211914 /nfs/dbraw/zinc/21/19/14/553211914.db2.gz UMEZAKGNRRWACA-IRXDYDNUSA-N 0 0 516.461 4.770 50 0 KJAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(Br)cc3)c3ccccc32)C[C@@H](C)O1 ZINC000009118552 553211912 /nfs/dbraw/zinc/21/19/12/553211912.db2.gz UMEZAKGNRRWACA-IAGOWNOFSA-N 0 0 516.461 4.770 50 0 KJAARN COc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000009123867 553212560 /nfs/dbraw/zinc/21/25/60/553212560.db2.gz UGELFIFSARJFIB-RUZDIDTESA-N 0 0 520.973 4.910 50 0 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COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1cc(Br)ccc1Br)CC2 ZINC000009128621 553213077 /nfs/dbraw/zinc/21/30/77/553213077.db2.gz BZFMXZCRAKRCHW-LLVKDONJSA-N 0 0 505.228 4.537 50 0 KJAARN CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)NCCC(c3ccccc3)c3ccccc3)c(=O)oc2c1 ZINC000009133901 553213457 /nfs/dbraw/zinc/21/34/57/553213457.db2.gz YTLKVYHOAFVJLF-UHFFFAOYSA-N 0 0 527.573 4.833 50 0 KJAARN Cc1cccc(OCC(=O)Nc2cc(NC(=O)COc3cccc(C)c3)cc(C(=O)NC(C)(C)C)c2)c1 ZINC000009136494 553213445 /nfs/dbraw/zinc/21/34/45/553213445.db2.gz RMLSEQLNVYHQBQ-UHFFFAOYSA-N 0 0 503.599 4.867 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccc2)cc1 ZINC000009137128 553213654 /nfs/dbraw/zinc/21/36/54/553213654.db2.gz LVKZNSKQVBYTAR-JOCHJYFZSA-N 0 0 507.999 4.658 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccc2)cc1 ZINC000009137131 553213616 /nfs/dbraw/zinc/21/36/16/553213616.db2.gz LVKZNSKQVBYTAR-QFIPXVFZSA-N 0 0 507.999 4.658 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2Cl)cc1OC ZINC000009144701 553213816 /nfs/dbraw/zinc/21/38/16/553213816.db2.gz VJUOKRZXFWCDRF-NRFANRHFSA-N 0 0 510.015 4.888 50 0 KJAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1 ZINC000009152220 553214333 /nfs/dbraw/zinc/21/43/33/553214333.db2.gz LAQJNYHDMARCIK-LJQANCHMSA-N 0 0 509.672 4.537 50 0 KJAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)cc1 ZINC000009152221 553214318 /nfs/dbraw/zinc/21/43/18/553214318.db2.gz LAQJNYHDMARCIK-IBGZPJMESA-N 0 0 509.672 4.537 50 0 KJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000009152348 553214314 /nfs/dbraw/zinc/21/43/14/553214314.db2.gz GMZDOEBMMZGSAG-UHFFFAOYSA-N 0 0 508.043 4.617 50 0 KJAARN COc1cc(OC)c(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccccc32)cc1Cl ZINC000009152453 553214512 /nfs/dbraw/zinc/21/45/12/553214512.db2.gz JQMHLULZIMZJGO-UHFFFAOYSA-N 0 0 509.975 4.833 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC2CCN(Cc4ccccc4)CC2)c2ccccc23)cc1C ZINC000009152485 553214701 /nfs/dbraw/zinc/21/47/01/553214701.db2.gz AHHPNNHFTAYGRK-UHFFFAOYSA-N 0 0 526.666 4.804 50 0 KJAARN Cc1ccc(C)c(N2CCN(c3nc4c(S(=O)(=O)c5ccc(C)c(C)c5)nnn4c4ccccc43)CC2)c1 ZINC000009152503 553214716 /nfs/dbraw/zinc/21/47/16/553214716.db2.gz PZSGQSVCUOUPJZ-UHFFFAOYSA-N 0 0 526.666 4.671 50 0 KJAARN CCOc1cc(C(=O)NCCc2csc3nc(-c4ccc(OC)cc4)nn23)cc(OCC)c1OCC ZINC000009152901 553214682 /nfs/dbraw/zinc/21/46/82/553214682.db2.gz LLKXYNHEJSESPW-UHFFFAOYSA-N 0 0 510.616 4.635 50 0 KJAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(COC5=CC=CC[C@@H]5OC)nc4c32)cc1OC ZINC000009157988 553214940 /nfs/dbraw/zinc/21/49/40/553214940.db2.gz XNSJZUZCIYFZKA-UQBPGWFLSA-N 0 0 514.538 4.508 50 0 KJAARN COc1ccc(OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000009158064 553214951 /nfs/dbraw/zinc/21/49/51/553214951.db2.gz MRLHZTMFBZHMOZ-VWLOTQADSA-N 0 0 512.522 4.721 50 0 KJAARN COc1ccc(OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000009158065 553214934 /nfs/dbraw/zinc/21/49/34/553214934.db2.gz MRLHZTMFBZHMOZ-RUZDIDTESA-N 0 0 512.522 4.721 50 0 KJAARN COC(=O)/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C/c2ccc(Cl)cc2)CCC1 ZINC000009158783 553215119 /nfs/dbraw/zinc/21/51/19/553215119.db2.gz LUXCGCFDSCNLIF-ZVUCYYGPSA-N 0 0 511.430 4.914 50 0 KJAARN COC(=O)/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C/c2ccc(Cl)cc2)CCC1 ZINC000009158784 553215010 /nfs/dbraw/zinc/21/50/10/553215010.db2.gz LUXCGCFDSCNLIF-SXRLQBRZSA-N 0 0 511.430 4.914 50 0 KJAARN COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000009159635 553215308 /nfs/dbraw/zinc/21/53/08/553215308.db2.gz NTLSCIIJCFZOKH-DEOSSOPVSA-N 0 0 512.522 4.817 50 0 KJAARN COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccc(OC)c(OC)c2)cc1OC ZINC000009159637 553215318 /nfs/dbraw/zinc/21/53/18/553215318.db2.gz NTLSCIIJCFZOKH-XMMPIXPASA-N 0 0 512.522 4.817 50 0 KJAARN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 ZINC000009168248 553215922 /nfs/dbraw/zinc/21/59/22/553215922.db2.gz YRCQOIOCPYTFJR-NTUHNPAUSA-N 0 0 513.641 4.654 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000009170983 553215893 /nfs/dbraw/zinc/21/58/93/553215893.db2.gz UEFCNVWWCSESHN-HSZRJFAPSA-N 0 0 510.015 4.888 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000009170991 553215935 /nfs/dbraw/zinc/21/59/35/553215935.db2.gz UEFCNVWWCSESHN-QHCPKHFHSA-N 0 0 510.015 4.888 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3OC)N(Cc3ccccc3Cl)C2=S)cc1 ZINC000009171325 553215947 /nfs/dbraw/zinc/21/59/47/553215947.db2.gz FOCUDLFYXWKHAJ-QFIPXVFZSA-N 0 0 510.015 4.888 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)N(Cc3ccccc3Cl)C2=S)cc1 ZINC000009171330 553215936 /nfs/dbraw/zinc/21/59/36/553215936.db2.gz FOCUDLFYXWKHAJ-JOCHJYFZSA-N 0 0 510.015 4.888 50 0 KJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000009184759 553216807 /nfs/dbraw/zinc/21/68/07/553216807.db2.gz FJHICFMMMIKWLA-GDLZYMKVSA-N 0 0 529.593 4.913 50 0 KJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000009184760 553216868 /nfs/dbraw/zinc/21/68/68/553216868.db2.gz FJHICFMMMIKWLA-LJAQVGFWSA-N 0 0 529.593 4.913 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccc2Cl)cc1 ZINC000009185089 553216970 /nfs/dbraw/zinc/21/69/70/553216970.db2.gz FALQGVIHYFSISJ-JOCHJYFZSA-N 0 0 507.999 4.658 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccc2Cl)cc1 ZINC000009185091 553216972 /nfs/dbraw/zinc/21/69/72/553216972.db2.gz FALQGVIHYFSISJ-QFIPXVFZSA-N 0 0 507.999 4.658 50 0 KJAARN COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(NC(=O)Cc4ccc(OC)c(OC)c4)nc3N2)cc1 ZINC000009185168 553217262 /nfs/dbraw/zinc/21/72/62/553217262.db2.gz XNAUBRDJQMDOSM-XZOQPEGZSA-N 0 0 517.561 4.771 50 0 KJAARN COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(NC(=O)Cc4ccc(OC)c(OC)c4)nc3N2)cc1 ZINC000009185170 553217250 /nfs/dbraw/zinc/21/72/50/553217250.db2.gz XNAUBRDJQMDOSM-DHIUTWEWSA-N 0 0 517.561 4.771 50 0 KJAARN COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc(NC(=O)Cc4ccc(OC)c(OC)c4)nc3N2)cc1 ZINC000009185173 553217230 /nfs/dbraw/zinc/21/72/30/553217230.db2.gz XNAUBRDJQMDOSM-PKTZIBPZSA-N 0 0 517.561 4.771 50 0 KJAARN CCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000009185266 1066517625 /nfs/dbraw/zinc/51/76/25/1066517625.db2.gz WBROENJBUQXAMA-UHFFFAOYSA-N 0 0 514.626 4.973 50 0 KJAARN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009187279 553217912 /nfs/dbraw/zinc/21/79/12/553217912.db2.gz LEIFEMAFZDEKQU-UHFFFAOYSA-N 0 0 511.892 4.591 50 0 KJAARN CCCCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1 ZINC000009190438 553218423 /nfs/dbraw/zinc/21/84/23/553218423.db2.gz XUWXDTHCSDOMNL-SANMLTNESA-N 0 0 513.704 4.518 50 0 KJAARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000009192235 553218818 /nfs/dbraw/zinc/21/88/18/553218818.db2.gz XPWOMIFNBDIXNV-WZYRSQIMSA-N 0 0 508.336 4.894 50 0 KJAARN CCCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccc(C)c(C)c1 ZINC000009192237 1066517660 /nfs/dbraw/zinc/51/76/60/1066517660.db2.gz QMTQEWCKZXKKIU-UHFFFAOYSA-N 0 0 500.599 4.682 50 0 KJAARN Cc1ccc(S(=O)(=O)CCc2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)o2)cc1 ZINC000009193955 553219575 /nfs/dbraw/zinc/21/95/75/553219575.db2.gz GAGLRUXKQHZENM-UHFFFAOYSA-N 0 0 510.637 4.753 50 0 KJAARN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnnc2-c2cccs2)c2ccc(Cl)cc2)o1 ZINC000009199914 553219936 /nfs/dbraw/zinc/21/99/36/553219936.db2.gz BOQLWQSIJAVQMZ-QHCPKHFHSA-N 0 0 525.034 4.790 50 0 KJAARN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnnc2-c2cccs2)c2ccc(Cl)cc2)o1 ZINC000009199921 553219912 /nfs/dbraw/zinc/21/99/12/553219912.db2.gz BOQLWQSIJAVQMZ-HSZRJFAPSA-N 0 0 525.034 4.790 50 0 KJAARN 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4.596 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccco3)s2)cc1 ZINC000009203403 553220032 /nfs/dbraw/zinc/22/00/32/553220032.db2.gz KNRBWGKQKATTAY-UHFFFAOYSA-N 0 0 509.030 4.976 50 0 KJAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000009203423 553220266 /nfs/dbraw/zinc/22/02/66/553220266.db2.gz SCRDNVJBOKQFHB-UHFFFAOYSA-N 0 0 523.076 4.889 50 0 KJAARN C[C@@H]1CCCC[C@@H]1N(Cc1ccccc1F)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009203447 553220254 /nfs/dbraw/zinc/22/02/54/553220254.db2.gz JOAFAYQDVNZLCR-NLFFAJNJSA-N 0 0 508.681 4.770 50 0 KJAARN C[C@@H]1CCCC[C@H]1N(Cc1ccccc1F)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009203453 553220251 /nfs/dbraw/zinc/22/02/51/553220251.db2.gz JOAFAYQDVNZLCR-CJFMBICVSA-N 0 0 508.681 4.770 50 0 KJAARN C[C@H]1CCCC[C@H]1N(Cc1ccccc1F)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009203459 553220267 /nfs/dbraw/zinc/22/02/67/553220267.db2.gz JOAFAYQDVNZLCR-NBGIEHNGSA-N 0 0 508.681 4.770 50 0 KJAARN O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 ZINC000009203465 553220248 /nfs/dbraw/zinc/22/02/48/553220248.db2.gz JTGWDAJVYKWFFD-UHFFFAOYSA-N 0 0 520.623 4.577 50 0 KJAARN C[C@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3Cc3cccnc3)c2)C[C@H](C)O1 ZINC000009209398 553220273 /nfs/dbraw/zinc/22/02/73/553220273.db2.gz QXYPJCSAXAIXNY-XWJMZONLSA-N 0 0 520.680 4.690 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3Cc3cccnc3)c2)C[C@@H](C)O1 ZINC000009209399 553220263 /nfs/dbraw/zinc/22/02/63/553220263.db2.gz QXYPJCSAXAIXNY-ALBSMBMESA-N 0 0 520.680 4.690 50 0 KJAARN COc1ccc(/C=C/C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000009209630 553220502 /nfs/dbraw/zinc/22/05/02/553220502.db2.gz KHZALRXXWQMZDL-PTWKWRTFSA-N 0 0 500.986 4.754 50 0 KJAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1OC ZINC000009209846 553220519 /nfs/dbraw/zinc/22/05/19/553220519.db2.gz ZIBVGALDUFTUEJ-XMMPIXPASA-N 0 0 517.549 4.984 50 0 KJAARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1OC ZINC000009209847 553220562 /nfs/dbraw/zinc/22/05/62/553220562.db2.gz ZIBVGALDUFTUEJ-DEOSSOPVSA-N 0 0 517.549 4.984 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=NC(=O)c1ccc(Cl)cc1Cl ZINC000009210248 1066517647 /nfs/dbraw/zinc/51/76/47/1066517647.db2.gz WDWNGBHGLQGOGK-UHFFFAOYSA-N 0 0 513.381 4.763 50 0 KJAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1OC ZINC000009210275 553220674 /nfs/dbraw/zinc/22/06/74/553220674.db2.gz OBJZXBWRTGNOFV-XMMPIXPASA-N 0 0 517.549 4.984 50 0 KJAARN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(CCCN4CCOCC4)c(=N)c32)cc1OC ZINC000009215753 553221310 /nfs/dbraw/zinc/22/13/10/553221310.db2.gz GTVVBRPNGWWBMF-AREMUKBSSA-N 0 0 512.610 4.541 50 0 KJAARN COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(CCCN4CCOCC4)c(=N)c32)cc1OC ZINC000009215755 553221302 /nfs/dbraw/zinc/22/13/02/553221302.db2.gz GTVVBRPNGWWBMF-SANMLTNESA-N 0 0 512.610 4.541 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccc(Cl)cc2)cc1 ZINC000009215932 553221516 /nfs/dbraw/zinc/22/15/16/553221516.db2.gz YESISLCAZRCXGE-XMMPIXPASA-N 0 0 524.042 4.931 50 0 KJAARN COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c(NC(=O)COc2ccccc2)c1 ZINC000009225140 553221896 /nfs/dbraw/zinc/22/18/96/553221896.db2.gz JESRROVVOWXESE-UHFFFAOYSA-N 0 0 525.561 4.983 50 0 KJAARN Cc1cc(NC(=O)COc2ccc(I)cc2)ccc1NC(=O)Cc1cccs1 ZINC000009225157 553221927 /nfs/dbraw/zinc/22/19/27/553221927.db2.gz YQGJVAPYJJRDTN-UHFFFAOYSA-N 0 0 506.365 4.860 50 0 KJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000009226904 553222250 /nfs/dbraw/zinc/22/22/50/553222250.db2.gz KUCAXKLHIYDSDI-UHFFFAOYSA-N 0 0 510.666 4.903 50 0 KJAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cnn2C(C)(C)C)CC1 ZINC000009227805 553222406 /nfs/dbraw/zinc/22/24/06/553222406.db2.gz RSUQYZPXVQHJEF-UHFFFAOYSA-N 0 0 513.658 4.854 50 0 KJAARN COc1ccc(CCNC(=O)c2cnn(C(C)(C)C)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 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/nfs/dbraw/zinc/25/65/72/553256572.db2.gz FCDQKZGMWBVJKA-RRPNLBNLSA-N 0 0 503.668 4.641 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc(C)cc3C)CC2)[C@@H]1c1cccs1 ZINC000009407115 553256561 /nfs/dbraw/zinc/25/65/61/553256561.db2.gz FCDQKZGMWBVJKA-SXOMAYOGSA-N 0 0 503.668 4.641 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(C)cc3C)CC2)[C@@H]1c1cccs1 ZINC000009407116 553256576 /nfs/dbraw/zinc/25/65/76/553256576.db2.gz FCDQKZGMWBVJKA-SVBPBHIXSA-N 0 0 503.668 4.641 50 0 KJAARN CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)NC1=NN=C(c2ccc(C)cc2)CS1 ZINC000009408692 553256924 /nfs/dbraw/zinc/25/69/24/553256924.db2.gz WWHUPVQYWLFGDS-FQEVSTJZSA-N 0 0 503.657 4.802 50 0 KJAARN CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)NC1=NN=C(c2ccc(C)cc2)CS1 ZINC000009408693 553257192 /nfs/dbraw/zinc/25/71/92/553257192.db2.gz WWHUPVQYWLFGDS-HXUWFJFHSA-N 0 0 503.657 4.802 50 0 KJAARN CCCCn1c2ccccc2c2nnc(SCC(=O)NC3=NN=C(c4ccc(C)cc4)CS3)nc21 ZINC000009408695 553257195 /nfs/dbraw/zinc/25/71/95/553257195.db2.gz SBWNYDDVTZWAMQ-UHFFFAOYSA-N 0 0 503.657 4.803 50 0 KJAARN Cc1c(F)cccc1S(=O)(=O)Nc1ccc(C(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1 ZINC000009409626 553257211 /nfs/dbraw/zinc/25/72/11/553257211.db2.gz AVSHDPPYXVBHHQ-GOSISDBHSA-N 0 0 510.587 4.856 50 0 KJAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCCOC(=O)c4ccc(C)cc4)ccc32)cc1 ZINC000009410042 553257208 /nfs/dbraw/zinc/25/72/08/553257208.db2.gz HWKCNVNHCTVWNT-UHFFFAOYSA-N 0 0 501.535 4.519 50 0 biogenic KJAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)NC(C)C)ccc12 ZINC000009410135 553257478 /nfs/dbraw/zinc/25/74/78/553257478.db2.gz AXGPQQQQJIECIF-DEOSSOPVSA-N 0 0 524.683 4.766 50 0 KJAARN Cc1c(F)cccc1S(=O)(=O)Nc1ccc(C(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)cc1 ZINC000009410911 553257530 /nfs/dbraw/zinc/25/75/30/553257530.db2.gz AVSHDPPYXVBHHQ-SFHVURJKSA-N 0 0 510.587 4.856 50 0 KJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)o2)cc1 ZINC000009412736 553257872 /nfs/dbraw/zinc/25/78/72/553257872.db2.gz AXPJYSMDJCKORO-UHFFFAOYSA-N 0 0 516.620 4.597 50 0 KJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1 ZINC000009412846 553257886 /nfs/dbraw/zinc/25/78/86/553257886.db2.gz CBOBPACCQCURLC-UHFFFAOYSA-N 0 0 516.620 4.597 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009413763 553258116 /nfs/dbraw/zinc/25/81/16/553258116.db2.gz XKHWSTONSGMZNH-UHFFFAOYSA-N 0 0 521.595 4.977 50 0 KJAARN O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009413908 553258055 /nfs/dbraw/zinc/25/80/55/553258055.db2.gz JZYCUDURJNQMBB-UHFFFAOYSA-N 0 0 507.543 4.861 50 0 KJAARN CCOc1cc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc(OCC)c1OCC ZINC000009414008 553258069 /nfs/dbraw/zinc/25/80/69/553258069.db2.gz XRPOWSPRCIIGKO-UUWRZZSWSA-N 0 0 504.008 4.736 50 0 KJAARN CCOc1cc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc(OCC)c1OCC ZINC000009414014 553258162 /nfs/dbraw/zinc/25/81/62/553258162.db2.gz XRPOWSPRCIIGKO-UMSFTDKQSA-N 0 0 504.008 4.736 50 0 KJAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)N2CCC(Cc4ccccc4)CC2)CCS3)cc1 ZINC000009415878 553258159 /nfs/dbraw/zinc/25/81/59/553258159.db2.gz QNFQUOFLVRAQBJ-UHFFFAOYSA-N 0 0 521.708 4.853 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000009416409 553258022 /nfs/dbraw/zinc/25/80/22/553258022.db2.gz HBFJSCWQDSRXEI-UHFFFAOYSA-N 0 0 516.554 4.914 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc4c(c3)OCCO4)o1)C[C@H](C)CC2 ZINC000009416855 553258254 /nfs/dbraw/zinc/25/82/54/553258254.db2.gz ZWDLBJYQGDVVPU-CYBMUJFWSA-N 0 0 515.613 4.602 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc4c(c3)OCCO4)o1)C[C@@H](C)CC2 ZINC000009416860 553258219 /nfs/dbraw/zinc/25/82/19/553258219.db2.gz ZWDLBJYQGDVVPU-ZDUSSCGKSA-N 0 0 515.613 4.602 50 0 KJAARN COc1ccccc1NC(=O)Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O ZINC000009423660 553258293 /nfs/dbraw/zinc/25/82/93/553258293.db2.gz RFHKTEHTGQWORQ-UHFFFAOYSA-N 0 0 516.579 4.765 50 0 KJAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000009424541 553258666 /nfs/dbraw/zinc/25/86/66/553258666.db2.gz KLIXSFPQTBGDOY-GYCJOSAFSA-N 0 0 518.031 4.932 50 0 KJAARN COc1ccccc1OCCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000009424986 553259100 /nfs/dbraw/zinc/25/91/00/553259100.db2.gz GFMVZGMNPJAPGP-HAHDFKILSA-N 0 0 508.983 4.585 50 0 KJAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000009425465 553259548 /nfs/dbraw/zinc/25/95/48/553259548.db2.gz KFHXOSUKXQYWMY-UHFFFAOYSA-N 0 0 504.992 4.508 50 0 KJAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009426137 553259610 /nfs/dbraw/zinc/25/96/10/553259610.db2.gz IDBKYZCXAUENJK-UHFFFAOYSA-N 0 0 508.349 4.984 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(Br)cc4)cc3)CC2)cc1 ZINC000009426144 553259604 /nfs/dbraw/zinc/25/96/04/553259604.db2.gz CBOBXHSWSSZERX-UHFFFAOYSA-N 0 0 508.416 4.737 50 0 KJAARN COc1cccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCN(c4ccc(F)cc4)CC3)n2)c1 ZINC000009427387 553259878 /nfs/dbraw/zinc/25/98/78/553259878.db2.gz FSTNDSIHACBFGG-UHFFFAOYSA-N 0 0 501.566 4.842 50 0 KJAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(ccc(Cl)c4Cl)s3)cc2)C[C@H](C)O1 ZINC000009427394 553259843 /nfs/dbraw/zinc/25/98/43/553259843.db2.gz ZFNADBLHYAPYQA-RYUDHWBXSA-N 0 0 500.429 4.653 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(ccc(Cl)c4Cl)s3)cc2)C[C@@H](C)O1 ZINC000009427395 553259862 /nfs/dbraw/zinc/25/98/62/553259862.db2.gz ZFNADBLHYAPYQA-VXGBXAGGSA-N 0 0 500.429 4.653 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccccc2)cc1 ZINC000009427570 553259895 /nfs/dbraw/zinc/25/98/95/553259895.db2.gz NCRKYCAWMOOSPF-DEOSSOPVSA-N 0 0 519.598 4.576 50 0 KJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2 ZINC000009427643 553260015 /nfs/dbraw/zinc/26/00/15/553260015.db2.gz JLWPAKWSKMFYIG-VFADXPBXSA-N 0 0 513.468 4.503 50 0 KJAARN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000009427708 553259965 /nfs/dbraw/zinc/25/99/65/553259965.db2.gz HGFPVBYCQVGAEI-PKYOQBLNSA-N 0 0 524.642 4.735 50 0 KJAARN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000009427709 553260003 /nfs/dbraw/zinc/26/00/03/553260003.db2.gz HGFPVBYCQVGAEI-USDTVRPUSA-N 0 0 524.642 4.735 50 0 KJAARN CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009427804 553260053 /nfs/dbraw/zinc/26/00/53/553260053.db2.gz VHNIXFNSSYLGBA-HXUWFJFHSA-N 0 0 506.347 4.933 50 0 KJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 ZINC000009427810 553259986 /nfs/dbraw/zinc/25/99/86/553259986.db2.gz DAQUNTKUSAKCBQ-WZYRSQIMSA-N 0 0 505.361 4.511 50 0 KJAARN O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2)c1sc2ccccc2c1Cl ZINC000009427854 553260012 /nfs/dbraw/zinc/26/00/12/553260012.db2.gz KDXJMOXMFDZGOA-GFCCVEGCSA-N 0 0 509.074 4.664 50 0 KJAARN O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2)c1sc2ccccc2c1Cl ZINC000009427856 553260008 /nfs/dbraw/zinc/26/00/08/553260008.db2.gz KDXJMOXMFDZGOA-LBPRGKRZSA-N 0 0 509.074 4.664 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000009428159 553260195 /nfs/dbraw/zinc/26/01/95/553260195.db2.gz AKLAWYNGXQNTEH-OAQYLSRUSA-N 0 0 510.015 4.888 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000009428160 553260210 /nfs/dbraw/zinc/26/02/10/553260210.db2.gz AKLAWYNGXQNTEH-NRFANRHFSA-N 0 0 510.015 4.888 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009428211 553260391 /nfs/dbraw/zinc/26/03/91/553260391.db2.gz RVDFGJWRPAMCBI-HSZRJFAPSA-N 0 0 510.015 4.888 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009428212 553260356 /nfs/dbraw/zinc/26/03/56/553260356.db2.gz RVDFGJWRPAMCBI-QHCPKHFHSA-N 0 0 510.015 4.888 50 0 KJAARN COc1ccc(CCN2C(=S)N(Cc3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009428284 553260385 /nfs/dbraw/zinc/26/03/85/553260385.db2.gz JZXSCRZLVMEUHL-XMMPIXPASA-N 0 0 508.043 4.918 50 0 KJAARN COc1ccc(CCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009428447 553260552 /nfs/dbraw/zinc/26/05/52/553260552.db2.gz UAGYNZUVVPBMNF-XMMPIXPASA-N 0 0 524.042 4.931 50 0 KJAARN COc1ccc(CCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009428448 553260595 /nfs/dbraw/zinc/26/05/95/553260595.db2.gz UAGYNZUVVPBMNF-DEOSSOPVSA-N 0 0 524.042 4.931 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000009428480 553260568 /nfs/dbraw/zinc/26/05/68/553260568.db2.gz FMHRKNQFVDUKKS-HSZRJFAPSA-N 0 0 503.624 4.852 50 0 KJAARN COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000009428481 553260567 /nfs/dbraw/zinc/26/05/67/553260567.db2.gz FMHRKNQFVDUKKS-QHCPKHFHSA-N 0 0 503.624 4.852 50 0 KJAARN Cc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000009428526 553260548 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Cc1ccc(C(=O)[C@H](C)OC(=O)CCC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)cc1 ZINC000009445908 553265405 /nfs/dbraw/zinc/26/54/05/553265405.db2.gz UBNAVKLILJCRQV-SFTDATJTSA-N 0 0 515.562 4.957 50 0 KJAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)CCC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)cc1 ZINC000009445909 553265404 /nfs/dbraw/zinc/26/54/04/553265404.db2.gz UBNAVKLILJCRQV-NHCUHLMSSA-N 0 0 515.562 4.957 50 0 KJAARN Cc1ccc(C(=O)[C@H](C)OC(=O)CCC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)cc1 ZINC000009445910 553265392 /nfs/dbraw/zinc/26/53/92/553265392.db2.gz UBNAVKLILJCRQV-LEWJYISDSA-N 0 0 515.562 4.957 50 0 KJAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1 ZINC000009445911 553265387 /nfs/dbraw/zinc/26/53/87/553265387.db2.gz YOHJYCSFBNNYMF-OAQYLSRUSA-N 0 0 515.562 4.958 50 0 KJAARN Cc1ccc(C(=O)[C@H](C)OC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1 ZINC000009445912 553265385 /nfs/dbraw/zinc/26/53/85/553265385.db2.gz YOHJYCSFBNNYMF-NRFANRHFSA-N 0 0 515.562 4.958 50 0 KJAARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)cc1C ZINC000009445926 553265398 /nfs/dbraw/zinc/26/53/98/553265398.db2.gz IYJICNVWGJHPBW-NRFANRHFSA-N 0 0 515.562 4.876 50 0 KJAARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)cc1C ZINC000009445927 553265388 /nfs/dbraw/zinc/26/53/88/553265388.db2.gz IYJICNVWGJHPBW-OAQYLSRUSA-N 0 0 515.562 4.876 50 0 KJAARN COc1ccc(Cl)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc21 ZINC000009447249 553265706 /nfs/dbraw/zinc/26/57/06/553265706.db2.gz IVUQCWMRBGMCNB-UHFFFAOYSA-N 0 0 514.028 4.958 50 0 KJAARN Nn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009447483 553265732 /nfs/dbraw/zinc/26/57/32/553265732.db2.gz KLIRAVWLMPQVGV-UHFFFAOYSA-N 0 0 511.892 4.591 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c5c6c(c(CC(C)C)nc5sc43)CCC6)CC2)cc1 ZINC000009448023 553265728 /nfs/dbraw/zinc/26/57/28/553265728.db2.gz NUNWNBZCLUXQKD-UHFFFAOYSA-N 0 0 521.712 4.746 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)C(C)C)cc1 ZINC000009448280 553265714 /nfs/dbraw/zinc/26/57/14/553265714.db2.gz NUEJBRVVEGNPBH-QHCPKHFHSA-N 0 0 504.004 4.542 50 0 KJAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(Cl)cc4C(F)(F)F)n3N)n[nH]2)cc1 ZINC000009449330 553265709 /nfs/dbraw/zinc/26/57/09/553265709.db2.gz LRGDRPTYASZCDK-UHFFFAOYSA-N 0 0 507.929 4.760 50 0 KJAARN COc1ccc(-c2nc3c(c4nnc(S[C@H](C)C(=O)Nc5cccc(OC)c5)n42)COC(C)(C)C3)cc1 ZINC000009456281 553266324 /nfs/dbraw/zinc/26/63/24/553266324.db2.gz LTFQNUAJTYKYEV-MRXNPFEDSA-N 0 0 519.627 4.779 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1 ZINC000009459752 553266699 /nfs/dbraw/zinc/26/66/99/553266699.db2.gz DSYJFDZCOCFESX-HAHDFKILSA-N 0 0 511.994 4.880 50 0 KJAARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCCCOc1cccc(OC)c1 ZINC000009462266 553268142 /nfs/dbraw/zinc/26/81/42/553268142.db2.gz VMFFQSZSXKFIBF-ONUIUJJFSA-N 0 0 502.592 4.712 50 0 KJAARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCCCOc1ccc(OC)cc1 ZINC000009462648 553268514 /nfs/dbraw/zinc/26/85/14/553268514.db2.gz XDBXFCIHCJNSES-ITYLOYPMSA-N 0 0 502.592 4.712 50 0 KJAARN COc1ccc(OCCCOc2c(Cl)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2OC)cc1 ZINC000009462935 553268742 /nfs/dbraw/zinc/26/87/42/553268742.db2.gz VLUCMXPUODFGGV-JLPGSUDCSA-N 0 0 523.010 4.975 50 0 KJAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(F)cc1 ZINC000009463188 553268894 /nfs/dbraw/zinc/26/88/94/553268894.db2.gz JGFDTCANIGMCAM-UHFFFAOYSA-N 0 0 503.024 4.630 50 0 KJAARN CCOc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3cccc(Cl)c3)c2=O)CCCC4)cc1 ZINC000009463767 553269176 /nfs/dbraw/zinc/26/91/76/553269176.db2.gz UZXCDAASWVICCH-UHFFFAOYSA-N 0 0 510.015 4.784 50 0 KJAARN COc1cc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)ccc1OCCC(C)C ZINC000009463958 553269360 /nfs/dbraw/zinc/26/93/60/553269360.db2.gz YPBHPEIUKLFPCP-MOSHPQCFSA-N 0 0 500.418 4.562 50 0 KJAARN COc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2n1 ZINC000009464017 553269392 /nfs/dbraw/zinc/26/93/92/553269392.db2.gz MMWIRYHLHBOLCP-HAHDFKILSA-N 0 0 511.994 4.880 50 0 KJAARN COc1cccc(OCCCOc2c(Cl)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2OC)c1 ZINC000009464496 553269393 /nfs/dbraw/zinc/26/93/93/553269393.db2.gz VBUCTPZYONNFPY-IWIPYMOSSA-N 0 0 523.010 4.975 50 0 KJAARN COc1ccccc1OCCCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000009471257 553269818 /nfs/dbraw/zinc/26/98/18/553269818.db2.gz VLKOIRXIINGDIB-JLPGSUDCSA-N 0 0 523.010 4.975 50 0 KJAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)N3C[C@H](C)C[C@H](C)C3)n2n1 ZINC000009472124 553270188 /nfs/dbraw/zinc/27/01/88/553270188.db2.gz FAGRCCLWUKNKOC-KDURUIRLSA-N 0 0 513.671 4.775 50 0 KJAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)n2n1 ZINC000009472128 553270180 /nfs/dbraw/zinc/27/01/80/553270180.db2.gz FAGRCCLWUKNKOC-OALUTQOASA-N 0 0 513.671 4.775 50 0 KJAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2n1 ZINC000009472135 553270152 /nfs/dbraw/zinc/27/01/52/553270152.db2.gz FAGRCCLWUKNKOC-RTBURBONSA-N 0 0 513.671 4.775 50 0 KJAARN CCCCCn1c(SC(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000009472478 553270121 /nfs/dbraw/zinc/27/01/21/553270121.db2.gz PMDCBGSDIXLSNV-UHFFFAOYSA-N 0 0 528.678 4.680 50 0 KJAARN O=C(CCCCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000009472522 553270163 /nfs/dbraw/zinc/27/01/63/553270163.db2.gz HNFIFTQECSEQQX-NRFANRHFSA-N 0 0 528.074 4.881 50 0 KJAARN O=C(CCCCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009472524 553270123 /nfs/dbraw/zinc/27/01/23/553270123.db2.gz HNFIFTQECSEQQX-OAQYLSRUSA-N 0 0 528.074 4.881 50 0 KJAARN CCOC(=O)N1CCC(n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccccc2Cl)CC1 ZINC000009472762 553270409 /nfs/dbraw/zinc/27/04/09/553270409.db2.gz YXGPGKZZDUOPIN-UHFFFAOYSA-N 0 0 501.008 4.574 50 0 KJAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)NC1CCCCC1)NCc1ccccc1Cl ZINC000009472826 553270412 /nfs/dbraw/zinc/27/04/12/553270412.db2.gz GNQWSESYQPDRRK-UHFFFAOYSA-N 0 0 527.090 4.688 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000009472828 553270427 /nfs/dbraw/zinc/27/04/27/553270427.db2.gz AEGFCANPWAEYBS-UHFFFAOYSA-N 0 0 526.662 4.501 50 0 KJAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)NC1CCCCC1)NCc1cccc(Cl)c1 ZINC000009472894 553270336 /nfs/dbraw/zinc/27/03/36/553270336.db2.gz NOXGVKVZGHQDHI-UHFFFAOYSA-N 0 0 527.090 4.688 50 0 KJAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCc2ccccc2)cc1 ZINC000009472928 553270422 /nfs/dbraw/zinc/27/04/22/553270422.db2.gz FFVFDFASKYDYKU-UHFFFAOYSA-N 0 0 528.678 4.829 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCc2ccccc2)cc1 ZINC000009472930 553270351 /nfs/dbraw/zinc/27/03/51/553270351.db2.gz UBFZWBBKFDAQIH-UHFFFAOYSA-N 0 0 514.651 4.575 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCc2ccccc2)cc1C ZINC000009472939 553270396 /nfs/dbraw/zinc/27/03/96/553270396.db2.gz HAAZDIOJUMVKNK-UHFFFAOYSA-N 0 0 528.678 4.883 50 0 KJAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)NCCC1=CCCCC1)NCCc1ccccc1 ZINC000009472943 553270383 /nfs/dbraw/zinc/27/03/83/553270383.db2.gz WOJACIZAHGPYST-UHFFFAOYSA-N 0 0 532.710 4.634 50 0 KJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCCc1ccccc1 ZINC000009472947 553270380 /nfs/dbraw/zinc/27/03/80/553270380.db2.gz LDXLCDXTHRTNBO-UHFFFAOYSA-N 0 0 528.678 4.829 50 0 KJAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccccc2)cc1 ZINC000009472992 553270517 /nfs/dbraw/zinc/27/05/17/553270517.db2.gz YZNBNQHAENIPFZ-UHFFFAOYSA-N 0 0 514.651 4.786 50 0 KJAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)NCCC1=CCCCC1)NCc1ccccc1 ZINC000009473002 553270484 /nfs/dbraw/zinc/27/04/84/553270484.db2.gz URCPHILIKACCOX-UHFFFAOYSA-N 0 0 518.683 4.592 50 0 KJAARN CCCCCNC(=O)c1ccc(Cn2c(SCC(=O)NC3CCCCC3)nc3ccccc3c2=O)cc1 ZINC000009473280 553270770 /nfs/dbraw/zinc/27/07/70/553270770.db2.gz QBHLVWPTEVZXEF-UHFFFAOYSA-N 0 0 520.699 4.906 50 0 KJAARN CCCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3nc2SCC(=O)Nc2nccs2)cc1 ZINC000009473282 553270747 /nfs/dbraw/zinc/27/07/47/553270747.db2.gz IGOWQKJNNVUGSA-UHFFFAOYSA-N 0 0 521.668 4.552 50 0 KJAARN CCOC(=O)N1CCC(n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000009473344 553270848 /nfs/dbraw/zinc/27/08/48/553270848.db2.gz VEDZBTVANBRYNZ-UHFFFAOYSA-N 0 0 515.035 4.883 50 0 KJAARN CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000009473378 553270883 /nfs/dbraw/zinc/27/08/83/553270883.db2.gz RXQNPXLTQIFRGX-DNFKCEGXSA-N 0 0 534.726 4.569 50 0 KJAARN CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000009473380 553270881 /nfs/dbraw/zinc/27/08/81/553270881.db2.gz RXQNPXLTQIFRGX-KHRZNOOSSA-N 0 0 534.726 4.569 50 0 KJAARN CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccccc2)CC1 ZINC000009473397 553270815 /nfs/dbraw/zinc/27/08/15/553270815.db2.gz KDFTVARAFLTTLV-RDABAPPSSA-N 0 0 520.699 4.526 50 0 KJAARN CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccccc2)CC1 ZINC000009473400 553270808 /nfs/dbraw/zinc/27/08/08/553270808.db2.gz KDFTVARAFLTTLV-RBKXMNCYSA-N 0 0 520.699 4.526 50 0 KJAARN CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccccc2)CC1 ZINC000009473402 553270891 /nfs/dbraw/zinc/27/08/91/553270891.db2.gz XICUUSMQKVGRJG-UHFFFAOYSA-N 0 0 534.726 4.774 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccccc2)CC1)NC1CCCC1 ZINC000009473404 553270858 /nfs/dbraw/zinc/27/08/58/553270858.db2.gz FLQACUGYRCNYKW-UHFFFAOYSA-N 0 0 532.710 4.670 50 0 KJAARN O=C(NC[C@@H]1CCCO1)C1CCC(Cn2c(=O)c3ccccc3nc2SCc2ccccc2F)CC1 ZINC000009473408 553271070 /nfs/dbraw/zinc/27/10/70/553271070.db2.gz VRZZMUABBYFHNN-AOMIVXANSA-N 0 0 509.647 4.930 50 0 KJAARN O=C(NC[C@H]1CCCO1)C1CCC(Cn2c(=O)c3ccccc3nc2SCc2ccccc2F)CC1 ZINC000009473411 553271057 /nfs/dbraw/zinc/27/10/57/553271057.db2.gz VRZZMUABBYFHNN-QETWGEEDSA-N 0 0 509.647 4.930 50 0 KJAARN CC[C@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)C(=O)NC1CCCCC1 ZINC000009473726 553271212 /nfs/dbraw/zinc/27/12/12/553271212.db2.gz PSVGANDABLRNAI-MHZLTWQESA-N 0 0 534.726 4.795 50 0 KJAARN CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)C(=O)NC1CCCCC1 ZINC000009473728 553271173 /nfs/dbraw/zinc/27/11/73/553271173.db2.gz PSVGANDABLRNAI-HHHXNRCGSA-N 0 0 534.726 4.795 50 0 KJAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1S[C@@H](CC)C(=O)Nc1ccccc1OC ZINC000009473763 553271231 /nfs/dbraw/zinc/27/12/31/553271231.db2.gz RSDAPNVHLJICRT-DEOSSOPVSA-N 0 0 510.660 4.551 50 0 KJAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1S[C@H](CC)C(=O)Nc1ccccc1OC ZINC000009473764 553271206 /nfs/dbraw/zinc/27/12/06/553271206.db2.gz RSDAPNVHLJICRT-XMMPIXPASA-N 0 0 510.660 4.551 50 0 KJAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1S[C@@H](CC)C(=O)Nc1cccc(OC)c1 ZINC000009473766 553271198 /nfs/dbraw/zinc/27/11/98/553271198.db2.gz ZRNKHYFHPSXOPW-DEOSSOPVSA-N 0 0 510.660 4.551 50 0 KJAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1S[C@H](CC)C(=O)Nc1cccc(OC)c1 ZINC000009473768 553271170 /nfs/dbraw/zinc/27/11/70/553271170.db2.gz ZRNKHYFHPSXOPW-XMMPIXPASA-N 0 0 510.660 4.551 50 0 KJAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1S[C@@H](CC)C(=O)NCc1ccc(C)cc1 ZINC000009473769 553271161 /nfs/dbraw/zinc/27/11/61/553271161.db2.gz TUTXUAXUJPPWEC-VWLOTQADSA-N 0 0 508.688 4.529 50 0 KJAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1S[C@H](CC)C(=O)NCc1ccc(C)cc1 ZINC000009473771 553271237 /nfs/dbraw/zinc/27/12/37/553271237.db2.gz TUTXUAXUJPPWEC-RUZDIDTESA-N 0 0 508.688 4.529 50 0 KJAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CCCC3)cc2)C1 ZINC000009473802 553271194 /nfs/dbraw/zinc/27/11/94/553271194.db2.gz GSPJXTHKDNINAB-OYRHEFFESA-N 0 0 532.710 4.714 50 0 KJAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CCCC3)cc2)C1 ZINC000009473806 553271243 /nfs/dbraw/zinc/27/12/43/553271243.db2.gz GSPJXTHKDNINAB-SFTDATJTSA-N 0 0 532.710 4.714 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CCCC3)cc2)C1 ZINC000009473809 553271199 /nfs/dbraw/zinc/27/11/99/553271199.db2.gz GSPJXTHKDNINAB-NHCUHLMSSA-N 0 0 532.710 4.714 50 0 KJAARN O=C(NC[C@@H]1CCCO1)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccccc2F)cc1 ZINC000009473827 553271386 /nfs/dbraw/zinc/27/13/86/553271386.db2.gz ZPBUKTKVSNWYMZ-QFIPXVFZSA-N 0 0 503.599 4.785 50 0 KJAARN O=C(NC[C@H]1CCCO1)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccccc2F)cc1 ZINC000009473828 553271363 /nfs/dbraw/zinc/27/13/63/553271363.db2.gz ZPBUKTKVSNWYMZ-JOCHJYFZSA-N 0 0 503.599 4.785 50 0 KJAARN O=C(NC[C@@H]1CCCO1)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2cccc(F)c2)cc1 ZINC000009473830 553271372 /nfs/dbraw/zinc/27/13/72/553271372.db2.gz PBGXGLGZCRNHOL-QHCPKHFHSA-N 0 0 503.599 4.785 50 0 KJAARN O=C(NC[C@H]1CCCO1)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2cccc(F)c2)cc1 ZINC000009473832 553271374 /nfs/dbraw/zinc/27/13/74/553271374.db2.gz PBGXGLGZCRNHOL-HSZRJFAPSA-N 0 0 503.599 4.785 50 0 KJAARN O=C(NC[C@@H]1CCCO1)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)cc1 ZINC000009473835 553271373 /nfs/dbraw/zinc/27/13/73/553271373.db2.gz WBJCGYVSGPOORU-QHCPKHFHSA-N 0 0 503.599 4.785 50 0 KJAARN O=C(NC[C@H]1CCCO1)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)cc1 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/nfs/dbraw/zinc/27/43/36/553274336.db2.gz ZNMOCZFQLNRRTG-IRLDBZIGSA-N 0 0 529.641 4.655 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(c3cccc(OC)c3)CC2)c(NC(=O)Nc2cccc(OC)c2)c1 ZINC000009490855 553274229 /nfs/dbraw/zinc/27/42/29/553274229.db2.gz XYFKLRHYOPMOGY-UHFFFAOYSA-N 0 0 504.587 4.851 50 0 KJAARN O=C(Nc1ccc(Cl)cc1)Nc1cc(C(=O)NC2CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000009490863 553274321 /nfs/dbraw/zinc/27/43/21/553274321.db2.gz OLMGLQDZZNTKEA-MJGOQNOKSA-N 0 0 518.017 4.662 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2n[nH]cc2c(=O)n1-c1ccc(Br)cc1 ZINC000009495603 553274573 /nfs/dbraw/zinc/27/45/73/553274573.db2.gz VXOLPUCZAOTDFQ-UHFFFAOYSA-N 0 0 504.797 4.564 50 0 KJAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(N(C[C@H](C)O)C[C@H](C)O)n1 ZINC000009497238 553274557 /nfs/dbraw/zinc/27/45/57/553274557.db2.gz ZFHAEJSHNVZVMB-GJZGRUSLSA-N 0 0 504.722 4.579 50 0 KJAARN CCCOc1ccc(C2C(C(=O)OCC)=CN(Cc3ccc(OC)cc3)C=C2C(=O)OCC)cc1OC ZINC000009497478 553274719 /nfs/dbraw/zinc/27/47/19/553274719.db2.gz 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4.746 50 0 KJAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000009499827 553274997 /nfs/dbraw/zinc/27/49/97/553274997.db2.gz ORZJXFWSHDYGJN-LJRPLISKSA-N 0 0 502.570 4.763 50 0 KJAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000009499858 553275008 /nfs/dbraw/zinc/27/50/08/553275008.db2.gz ORZJXFWSHDYGJN-ZMYCBYQQSA-N 0 0 502.570 4.763 50 0 KJAARN Cc1c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000009500365 553275145 /nfs/dbraw/zinc/27/51/45/553275145.db2.gz AXMGHDKJKWNSPX-ZUEVXXBESA-N 0 0 501.052 4.921 50 0 KJAARN CCOc1ccccc1/C=C/c1onc(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000009503074 553275357 /nfs/dbraw/zinc/27/53/57/553275357.db2.gz KOQVTNRTDBBDFT-CCEZHUSRSA-N 0 0 515.676 4.792 50 0 KJAARN Cc1c(C(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000009505032 553275601 /nfs/dbraw/zinc/27/56/01/553275601.db2.gz HJDYXAUSUAPETJ-QFIPXVFZSA-N 0 0 526.710 4.986 50 0 KJAARN Cc1c(C(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000009505036 553275588 /nfs/dbraw/zinc/27/55/88/553275588.db2.gz HJDYXAUSUAPETJ-JOCHJYFZSA-N 0 0 526.710 4.986 50 0 KJAARN O=C(c1ccc2c(c1)NC(=O)[C@@H](CSCc1cccc(F)c1)N2)N1CCN(c2ccc(F)cc2)CC1 ZINC000009505280 553275751 /nfs/dbraw/zinc/27/57/51/553275751.db2.gz UHIYAFSUKWWLGO-RUZDIDTESA-N 0 0 508.594 4.593 50 0 KJAARN O=C(c1ccc2c(c1)NC(=O)[C@H](CSCc1cccc(F)c1)N2)N1CCN(c2ccc(F)cc2)CC1 ZINC000009505285 553275722 /nfs/dbraw/zinc/27/57/22/553275722.db2.gz UHIYAFSUKWWLGO-VWLOTQADSA-N 0 0 508.594 4.593 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CSCc2ccccc2C)N3)cc1OC ZINC000009505331 553275749 /nfs/dbraw/zinc/27/57/49/553275749.db2.gz QVAZNIOCHMYVGD-XMMPIXPASA-N 0 0 505.640 4.651 50 0 biogenic KJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CSCc2ccccc2C)N3)cc1OC ZINC000009505334 553275704 /nfs/dbraw/zinc/27/57/04/553275704.db2.gz QVAZNIOCHMYVGD-DEOSSOPVSA-N 0 0 505.640 4.651 50 0 biogenic KJAARN Cc1ccc(CSC[C@H]2Nc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3NC2=O)cc1 ZINC000009505354 553275731 /nfs/dbraw/zinc/27/57/31/553275731.db2.gz FZTAGDPETFEBRU-AREMUKBSSA-N 0 0 504.631 4.763 50 0 KJAARN Cc1ccc(CSC[C@@H]2Nc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3NC2=O)cc1 ZINC000009505358 553275774 /nfs/dbraw/zinc/27/57/74/553275774.db2.gz FZTAGDPETFEBRU-SANMLTNESA-N 0 0 504.631 4.763 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CSCc2cc(C)ccc2C)N3)cc1OC ZINC000009505461 553275727 /nfs/dbraw/zinc/27/57/27/553275727.db2.gz PGUYSCUXNCAKOB-RUZDIDTESA-N 0 0 519.667 4.959 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CSCc2cc(C)ccc2C)N3)cc1OC ZINC000009505468 553275729 /nfs/dbraw/zinc/27/57/29/553275729.db2.gz PGUYSCUXNCAKOB-VWLOTQADSA-N 0 0 519.667 4.959 50 0 KJAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(OCc5ccccc5)cc4)n3N)n[nH]2)cc1 ZINC000009510689 553276222 /nfs/dbraw/zinc/27/62/22/553276222.db2.gz IXNCSDZIBAPPJF-UHFFFAOYSA-N 0 0 511.611 4.667 50 0 KJAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)N2CCc3ccccc32)cc1OC ZINC000009518308 553276564 /nfs/dbraw/zinc/27/65/64/553276564.db2.gz KTQCONRWNFYHPV-UHFFFAOYSA-N 0 0 512.591 4.566 50 0 KJAARN COc1ccc(-n2c(SCC(=O)NCc3ccc(C)cc3)nc3c4ccccc4[nH]c3c2=O)cc1OC ZINC000009518309 553276549 /nfs/dbraw/zinc/27/65/49/553276549.db2.gz TYJIABFOQGPYIT-UHFFFAOYSA-N 0 0 514.607 4.601 50 0 KJAARN CCCCc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 ZINC000009519798 553276701 /nfs/dbraw/zinc/27/67/01/553276701.db2.gz NXVJRMREGOOEAJ-UHFFFAOYSA-N 0 0 509.672 4.799 50 0 KJAARN CCCCc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)cc1 ZINC000009519861 553276736 /nfs/dbraw/zinc/27/67/36/553276736.db2.gz CBIZNYUPMHCRQZ-UHFFFAOYSA-N 0 0 509.672 4.655 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000009525759 553276913 /nfs/dbraw/zinc/27/69/13/553276913.db2.gz ZIBWTUNFEVPZSN-UHFFFAOYSA-N 0 0 504.539 4.946 50 0 KJAARN CCOC(=O)N1CCN(C(=O)CSc2nc(-c3ccc(OCC)cc3)cn2-c2ccc(C)cc2)CC1 ZINC000009529418 553277068 /nfs/dbraw/zinc/27/70/68/553277068.db2.gz PMTDCMOXYYVJIH-UHFFFAOYSA-N 0 0 508.644 4.639 50 0 KJAARN COc1ccc(Cn2c(=O)c3sc4cccc(F)c4c3nc2SCC(=O)Nc2cc(C)[nH]n2)cc1 ZINC000009529512 553277063 /nfs/dbraw/zinc/27/70/63/553277063.db2.gz UPFGCEIPVATUSD-UHFFFAOYSA-N 0 0 509.588 4.570 50 0 KJAARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(Br)cc1F ZINC000009530323 553277781 /nfs/dbraw/zinc/27/77/81/553277781.db2.gz QJKWJUAXULSISV-UHFFFAOYSA-N 0 0 500.415 4.625 50 0 KJAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)n3N)n[nH]2)cc1 ZINC000009541325 553277894 /nfs/dbraw/zinc/27/78/94/553277894.db2.gz OCOFITXWDXWKON-UHFFFAOYSA-N 0 0 507.929 4.760 50 0 KJAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)cc1 ZINC000009543577 553278156 /nfs/dbraw/zinc/27/81/56/553278156.db2.gz PCFLTZXEBLPJGT-UHFFFAOYSA-N 0 0 519.531 4.648 50 0 KJAARN O=C(CC[C@H](NC(=O)c1ccccc1Br)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000009543775 553278145 /nfs/dbraw/zinc/27/81/45/553278145.db2.gz GMQKNPBLGVJTRZ-QHCPKHFHSA-N 0 0 510.384 4.815 50 0 biogenic KJAARN O=C(CC[C@@H](NC(=O)c1ccccc1Br)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000009543778 553278129 /nfs/dbraw/zinc/27/81/29/553278129.db2.gz GMQKNPBLGVJTRZ-HSZRJFAPSA-N 0 0 510.384 4.815 50 0 biogenic KJAARN CCCOc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000009546263 553278138 /nfs/dbraw/zinc/27/81/38/553278138.db2.gz KZAJLPYCCHLTNJ-GWCPKJKKSA-N 0 0 508.615 4.704 50 0 KJAARN CCCOc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000009546265 553278136 /nfs/dbraw/zinc/27/81/36/553278136.db2.gz KZAJLPYCCHLTNJ-CWYPTGNGSA-N 0 0 508.615 4.704 50 0 KJAARN CCCOc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000009546342 553278126 /nfs/dbraw/zinc/27/81/26/553278126.db2.gz JBWZXTQDJZSXBH-MUUNZHRXSA-N 0 0 508.615 4.848 50 0 KJAARN CCCOc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000009546343 553278152 /nfs/dbraw/zinc/27/81/52/553278152.db2.gz JBWZXTQDJZSXBH-NDEPHWFRSA-N 0 0 508.615 4.848 50 0 KJAARN CCCOc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C[C@@H]2COc3ccccc3O2)cc1OC ZINC000009546354 553278396 /nfs/dbraw/zinc/27/83/96/553278396.db2.gz YIYVPINYQAQSDD-RNWIMVQKSA-N 0 0 522.642 4.759 50 0 KJAARN CCCOc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C[C@@H]2COc3ccccc3O2)cc1OC ZINC000009546355 553278410 /nfs/dbraw/zinc/27/84/10/553278410.db2.gz YIYVPINYQAQSDD-BTYSJIOQSA-N 0 0 522.642 4.759 50 0 KJAARN CCCOc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C[C@H]2COc3ccccc3O2)cc1OC ZINC000009546356 553278318 /nfs/dbraw/zinc/27/83/18/553278318.db2.gz YIYVPINYQAQSDD-IADCTJSHSA-N 0 0 522.642 4.759 50 0 KJAARN Cc1cc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)nc2ccccc12 ZINC000009547802 553278357 /nfs/dbraw/zinc/27/83/57/553278357.db2.gz SEZNSTURFDDGAB-NRFANRHFSA-N 0 0 519.605 4.819 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccc(Cl)cc2)cc1 ZINC000009553795 553278784 /nfs/dbraw/zinc/27/87/84/553278784.db2.gz ANBBKHGPRCATMF-JOCHJYFZSA-N 0 0 507.999 4.658 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2ccc(NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000009556511 553278953 /nfs/dbraw/zinc/27/89/53/553278953.db2.gz APFVASHAWUOFQF-UHFFFAOYSA-N 0 0 521.617 4.532 50 0 KJAARN COc1cccc(C(=O)Oc2c(S(=O)(=O)c3ccccc3)c(C)nn2-c2ccc(C)cc2C)c1OC ZINC000009559100 553279400 /nfs/dbraw/zinc/27/94/00/553279400.db2.gz XSEGIUJKKGRIPR-UHFFFAOYSA-N 0 0 506.580 4.867 50 0 KJAARN COc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccccc3)c(C)nn2-c2ccc(C)cc2C)cc1OC ZINC000009559101 553279414 /nfs/dbraw/zinc/27/94/14/553279414.db2.gz CZFJKVBQILDGEJ-UHFFFAOYSA-N 0 0 506.580 4.867 50 0 KJAARN COc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccccc3)c(C)nn2-c2ccc(C)cc2C)c(OC)c1 ZINC000009559103 553279399 /nfs/dbraw/zinc/27/93/99/553279399.db2.gz YAMXJPVQUPINJW-UHFFFAOYSA-N 0 0 506.580 4.867 50 0 KJAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000009559396 553279553 /nfs/dbraw/zinc/27/95/53/553279553.db2.gz JWIQPGDEKQVMHC-NQIIRXRSSA-N 0 0 505.459 4.724 50 0 KJAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000009559397 553279789 /nfs/dbraw/zinc/27/97/89/553279789.db2.gz JWIQPGDEKQVMHC-WIYYLYMNSA-N 0 0 505.459 4.724 50 0 KJAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000009559398 553279728 /nfs/dbraw/zinc/27/97/28/553279728.db2.gz JWIQPGDEKQVMHC-RXVVDRJESA-N 0 0 505.459 4.724 50 0 KJAARN O=C(N[C@H]1CCCc2ccccc21)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000009559399 553279711 /nfs/dbraw/zinc/27/97/11/553279711.db2.gz JWIQPGDEKQVMHC-GHTZIAJQSA-N 0 0 505.459 4.724 50 0 KJAARN O=C(NCCc1ccc(Cl)cc1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000009559539 553279746 /nfs/dbraw/zinc/27/97/46/553279746.db2.gz IAOPSLJYGWFIHE-UHFFFAOYSA-N 0 0 519.914 4.608 50 0 KJAARN O=C(C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000009559550 553279701 /nfs/dbraw/zinc/27/97/01/553279701.db2.gz IGABJMPFKFMIBC-UHFFFAOYSA-N 0 0 523.518 4.911 50 0 KJAARN CSc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)c1 ZINC000009559552 553279785 /nfs/dbraw/zinc/27/97/85/553279785.db2.gz QWDSZBWRSPMMSA-UHFFFAOYSA-N 0 0 503.509 4.956 50 0 KJAARN O=C(N[C@H]1CCCc2ccccc21)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000009559555 553280073 /nfs/dbraw/zinc/28/00/73/553280073.db2.gz VUEUGTFVNMDOJK-KVWWFHCMSA-N 0 0 511.507 4.789 50 0 KJAARN O=C(N[C@@H]1CCCc2ccccc21)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000009559556 553280053 /nfs/dbraw/zinc/28/00/53/553280053.db2.gz VUEUGTFVNMDOJK-GXOAENINSA-N 0 0 511.507 4.789 50 0 KJAARN COc1ccc(C)cc1NC(=O)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000009559568 553280051 /nfs/dbraw/zinc/28/00/51/553280051.db2.gz YFIUHVSIEANJDZ-UHFFFAOYSA-N 0 0 501.468 4.551 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560387 553280385 /nfs/dbraw/zinc/28/03/85/553280385.db2.gz POAHHGPOPJOAHN-VSGBNLITSA-N 0 0 516.594 4.977 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560388 553280373 /nfs/dbraw/zinc/28/03/73/553280373.db2.gz POAHHGPOPJOAHN-IZLXSDGUSA-N 0 0 516.594 4.977 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560389 553280377 /nfs/dbraw/zinc/28/03/77/553280377.db2.gz POAHHGPOPJOAHN-WUFINQPMSA-N 0 0 516.594 4.977 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)Nc3ccc(OC)cc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560390 553280374 /nfs/dbraw/zinc/28/03/74/553280374.db2.gz POAHHGPOPJOAHN-NSOVKSMOSA-N 0 0 516.594 4.977 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3C(=O)N1CC2 ZINC000009560411 553280390 /nfs/dbraw/zinc/28/03/90/553280390.db2.gz VHPAZSOPVNQFKG-VSGBNLITSA-N 0 0 514.578 4.731 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3C(=O)N1CC2 ZINC000009560412 553280487 /nfs/dbraw/zinc/28/04/87/553280487.db2.gz VHPAZSOPVNQFKG-IZLXSDGUSA-N 0 0 514.578 4.731 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3C(=O)N1CC2 ZINC000009560413 553280526 /nfs/dbraw/zinc/28/05/26/553280526.db2.gz VHPAZSOPVNQFKG-WUFINQPMSA-N 0 0 514.578 4.731 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3C(=O)N1CC2 ZINC000009560414 553280484 /nfs/dbraw/zinc/28/04/84/553280484.db2.gz VHPAZSOPVNQFKG-NSOVKSMOSA-N 0 0 514.578 4.731 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000009560451 553280542 /nfs/dbraw/zinc/28/05/42/553280542.db2.gz LZGQCYKDVOIDAV-LOYHVIPDSA-N 0 0 525.649 4.670 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000009560452 553280517 /nfs/dbraw/zinc/28/05/17/553280517.db2.gz LZGQCYKDVOIDAV-IHLOFXLRSA-N 0 0 525.649 4.670 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000009560453 553280497 /nfs/dbraw/zinc/28/04/97/553280497.db2.gz LZGQCYKDVOIDAV-XZWHSSHBSA-N 0 0 525.649 4.670 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000009560454 553280522 /nfs/dbraw/zinc/28/05/22/553280522.db2.gz LZGQCYKDVOIDAV-KYJUHHDHSA-N 0 0 525.649 4.670 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCc3ccc(OC)cc3)c3ccccc3C(=O)N1CC2 ZINC000009560504 553280505 /nfs/dbraw/zinc/28/05/05/553280505.db2.gz ROAFAOHRBLRUKE-IZLXSDGUSA-N 0 0 500.595 4.646 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCc3cc(OC)ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560545 553280683 /nfs/dbraw/zinc/28/06/83/553280683.db2.gz IRJGVAPRTSLDHR-FQLXRVMXSA-N 0 0 530.621 4.654 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCc3cc(OC)ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560546 553280678 /nfs/dbraw/zinc/28/06/78/553280678.db2.gz IRJGVAPRTSLDHR-WDYNHAJCSA-N 0 0 530.621 4.654 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCc3cc(OC)ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560547 553280690 /nfs/dbraw/zinc/28/06/90/553280690.db2.gz IRJGVAPRTSLDHR-URLMMPGGSA-N 0 0 530.621 4.654 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCc3cc(OC)ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560548 553280669 /nfs/dbraw/zinc/28/06/69/553280669.db2.gz IRJGVAPRTSLDHR-VMPREFPWSA-N 0 0 530.621 4.654 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCc3ccc(OC)cc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560554 553280672 /nfs/dbraw/zinc/28/06/72/553280672.db2.gz SHGKLIVJVNTLPY-WDYNHAJCSA-N 0 0 530.621 4.654 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCc3ccc(OC)cc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560555 553280685 /nfs/dbraw/zinc/28/06/85/553280685.db2.gz SHGKLIVJVNTLPY-URLMMPGGSA-N 0 0 530.621 4.654 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCc3ccc(OC)cc3OC)c3ccccc3C(=O)N1CC2 ZINC000009560556 553280693 /nfs/dbraw/zinc/28/06/93/553280693.db2.gz SHGKLIVJVNTLPY-VMPREFPWSA-N 0 0 530.621 4.654 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCc3cccc(OC)c3)c3ccccc3C(=O)N1CC2 ZINC000009560561 553280686 /nfs/dbraw/zinc/28/06/86/553280686.db2.gz UHNYEIJGUUOVCZ-IZLXSDGUSA-N 0 0 500.595 4.646 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCc3cccc(OC)c3)c3ccccc3C(=O)N1CC2 ZINC000009560562 553280688 /nfs/dbraw/zinc/28/06/88/553280688.db2.gz UHNYEIJGUUOVCZ-WUFINQPMSA-N 0 0 500.595 4.646 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCc3cccc(OC)c3)c3ccccc3C(=O)N1CC2 ZINC000009560563 553280694 /nfs/dbraw/zinc/28/06/94/553280694.db2.gz UHNYEIJGUUOVCZ-NSOVKSMOSA-N 0 0 500.595 4.646 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)cc2OC)[C@H]1c1cn(C)c2ccccc12 ZINC000009560876 553280824 /nfs/dbraw/zinc/28/08/24/553280824.db2.gz ZGVBISVEKDONPU-VSGBNLITSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)cc2OC)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560877 553280814 /nfs/dbraw/zinc/28/08/14/553280814.db2.gz ZGVBISVEKDONPU-IZLXSDGUSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(OC)cc2OC)[C@H]1c1cn(C)c2ccccc12 ZINC000009560878 553280832 /nfs/dbraw/zinc/28/08/32/553280832.db2.gz ZGVBISVEKDONPU-WUFINQPMSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(OC)cc2OC)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560879 553280829 /nfs/dbraw/zinc/28/08/29/553280829.db2.gz ZGVBISVEKDONPU-NSOVKSMOSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)c(OC)c2)[C@H]1c1cn(C)c2ccccc12 ZINC000009560884 553280881 /nfs/dbraw/zinc/28/08/81/553280881.db2.gz KDIGASXXFBQOJN-VSGBNLITSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)c(OC)c2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560885 553280844 /nfs/dbraw/zinc/28/08/44/553280844.db2.gz KDIGASXXFBQOJN-IZLXSDGUSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(OC)c(OC)c2)[C@H]1c1cn(C)c2ccccc12 ZINC000009560886 553280900 /nfs/dbraw/zinc/28/09/00/553280900.db2.gz KDIGASXXFBQOJN-WUFINQPMSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(OC)c(OC)c2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560887 553280863 /nfs/dbraw/zinc/28/08/63/553280863.db2.gz KDIGASXXFBQOJN-NSOVKSMOSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H]1c1cn(C)c2ccccc12 ZINC000009560904 553281041 /nfs/dbraw/zinc/28/10/41/553281041.db2.gz BQWLRTDRLZQASA-VSGBNLITSA-N 0 0 511.578 4.515 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560905 553281055 /nfs/dbraw/zinc/28/10/55/553281055.db2.gz BQWLRTDRLZQASA-IZLXSDGUSA-N 0 0 511.578 4.515 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H]1c1cn(C)c2ccccc12 ZINC000009560906 553281033 /nfs/dbraw/zinc/28/10/33/553281033.db2.gz BQWLRTDRLZQASA-WUFINQPMSA-N 0 0 511.578 4.515 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560907 553280993 /nfs/dbraw/zinc/28/09/93/553280993.db2.gz BQWLRTDRLZQASA-NSOVKSMOSA-N 0 0 511.578 4.515 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@H]1c1cn(C)c2ccccc12 ZINC000009561010 553280978 /nfs/dbraw/zinc/28/09/78/553280978.db2.gz FXWIACZNOKEHNP-VSGBNLITSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561011 553281018 /nfs/dbraw/zinc/28/10/18/553281018.db2.gz FXWIACZNOKEHNP-IZLXSDGUSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(OC)ccc2OC)[C@H]1c1cn(C)c2ccccc12 ZINC000009561012 553281040 /nfs/dbraw/zinc/28/10/40/553281040.db2.gz FXWIACZNOKEHNP-WUFINQPMSA-N 0 0 513.594 4.761 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(OC)ccc2OC)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561013 553281004 /nfs/dbraw/zinc/28/10/04/553281004.db2.gz FXWIACZNOKEHNP-NSOVKSMOSA-N 0 0 513.594 4.761 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000009561106 553281050 /nfs/dbraw/zinc/28/10/50/553281050.db2.gz MZBUFWOROULOAX-VSGBNLITSA-N 0 0 525.605 4.921 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000009561107 553280996 /nfs/dbraw/zinc/28/09/96/553280996.db2.gz MZBUFWOROULOAX-WUFINQPMSA-N 0 0 525.605 4.921 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000009561108 553281015 /nfs/dbraw/zinc/28/10/15/553281015.db2.gz MZBUFWOROULOAX-IZLXSDGUSA-N 0 0 525.605 4.921 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000009561109 553280986 /nfs/dbraw/zinc/28/09/86/553280986.db2.gz MZBUFWOROULOAX-NSOVKSMOSA-N 0 0 525.605 4.921 50 0 KJAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2sc4ccccc4c2Cl)n(C)c(=O)n3C)CC1 ZINC000009561444 553281344 /nfs/dbraw/zinc/28/13/44/553281344.db2.gz WKHOKQFIGPLGNL-UHFFFAOYSA-N 0 0 527.046 4.777 50 0 KJAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1 ZINC000009572491 553281389 /nfs/dbraw/zinc/28/13/89/553281389.db2.gz LJWIWQNMHQGNQS-UHFFFAOYSA-N 0 0 517.611 4.958 50 0 KJAARN Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)n1 ZINC000009573264 553281410 /nfs/dbraw/zinc/28/14/10/553281410.db2.gz XBMKCFOCEVFSRP-UHFFFAOYSA-N 0 0 501.612 4.832 50 0 KJAARN COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1 ZINC000009573266 553281371 /nfs/dbraw/zinc/28/13/71/553281371.db2.gz JDNBRSBDLQAZQD-UHFFFAOYSA-N 0 0 509.676 4.654 50 0 KJAARN COc1ccc(OC)c(Nc2nc(N3CCN(c4ccccc4)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000009573598 553281401 /nfs/dbraw/zinc/28/14/01/553281401.db2.gz COJVLZCLHOAZTH-UHFFFAOYSA-N 0 0 507.598 4.903 50 0 KJAARN Fc1ccc(N2CCN(c3nc4c(cnn4-c4ccccc4)c(Nc4ccc5c(c4)OCO5)n3)CC2)cc1 ZINC000009573629 553281420 /nfs/dbraw/zinc/28/14/20/553281420.db2.gz VMBFOCRGCVSQAG-UHFFFAOYSA-N 0 0 509.545 4.754 50 0 KJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1 ZINC000009573678 553281431 /nfs/dbraw/zinc/28/14/31/553281431.db2.gz MVQSJQZGVXEQMW-UHFFFAOYSA-N 0 0 519.549 4.706 50 0 KJAARN COc1cccc(-c2nc(C)c(-c3ccc(SCC(=O)NCc4ccc5c(c4)OCO5)nn3)s2)c1 ZINC000009577999 553281708 /nfs/dbraw/zinc/28/17/08/553281708.db2.gz GMSPZDCMPMAEDR-UHFFFAOYSA-N 0 0 506.609 4.721 50 0 KJAARN COc1ccc(-c2c(NC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)c3ccccc3c2=O)cc1OC ZINC000009580779 553282044 /nfs/dbraw/zinc/28/20/44/553282044.db2.gz MDVKTVBSYKBQCH-UHFFFAOYSA-N 0 0 504.539 4.501 50 0 KJAARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1OC ZINC000009584178 553282424 /nfs/dbraw/zinc/28/24/24/553282424.db2.gz IBFZGUFMWLFMGB-XMMPIXPASA-N 0 0 517.549 4.984 50 0 KJAARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1OC ZINC000009584180 553282612 /nfs/dbraw/zinc/28/26/12/553282612.db2.gz IBFZGUFMWLFMGB-DEOSSOPVSA-N 0 0 517.549 4.984 50 0 KJAARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1OC ZINC000009584183 553282648 /nfs/dbraw/zinc/28/26/48/553282648.db2.gz OBJZXBWRTGNOFV-DEOSSOPVSA-N 0 0 517.549 4.984 50 0 KJAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(COC5=CC=CC[C@H]5OC)nc4c32)cc1OC ZINC000009584258 553282642 /nfs/dbraw/zinc/28/26/42/553282642.db2.gz XNSJZUZCIYFZKA-KBMIEXCESA-N 0 0 514.538 4.508 50 0 KJAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(COC5=CC=CC[C@H]5OC)nc4c32)cc1OC ZINC000009584262 553282658 /nfs/dbraw/zinc/28/26/58/553282658.db2.gz XNSJZUZCIYFZKA-CLOONOSVSA-N 0 0 514.538 4.508 50 0 KJAARN COc1cccc([C@@H]2OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)=NN2C(C)=O)c1OC(C)=O ZINC000009586474 553282638 /nfs/dbraw/zinc/28/26/38/553282638.db2.gz QJAWCRYRXQIBFV-SANMLTNESA-N 0 0 507.930 4.765 50 0 KJAARN COc1cccc([C@H]2OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)=NN2C(C)=O)c1OC(C)=O ZINC000009586478 553282630 /nfs/dbraw/zinc/28/26/30/553282630.db2.gz QJAWCRYRXQIBFV-AREMUKBSSA-N 0 0 507.930 4.765 50 0 KJAARN CCOc1cc([C@H]2OC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccco1 ZINC000009586701 553282616 /nfs/dbraw/zinc/28/26/16/553282616.db2.gz JGCVUDPKOSHWCL-XMMPIXPASA-N 0 0 512.902 4.715 50 0 KJAARN CCOc1cc([C@@H]2OC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccco1 ZINC000009586707 553282639 /nfs/dbraw/zinc/28/26/39/553282639.db2.gz JGCVUDPKOSHWCL-DEOSSOPVSA-N 0 0 512.902 4.715 50 0 KJAARN COc1cc([C@@H]2OC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccs1 ZINC000009586726 553282790 /nfs/dbraw/zinc/28/27/90/553282790.db2.gz AEARQAAYFGTZIC-QHCPKHFHSA-N 0 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CCc1ccccc1NC(=O)c1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c1 ZINC000009591677 553283328 /nfs/dbraw/zinc/28/33/28/553283328.db2.gz KAWQFZXCFZQBFB-OAQYLSRUSA-N 0 0 504.970 4.934 50 0 KJAARN CCc1ccccc1NC(=O)c1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)c1 ZINC000009591680 553283314 /nfs/dbraw/zinc/28/33/14/553283314.db2.gz KAWQFZXCFZQBFB-NRFANRHFSA-N 0 0 504.970 4.934 50 0 KJAARN Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4cccc(C)c4)cc2)C3=O)no1 ZINC000009592003 553283302 /nfs/dbraw/zinc/28/33/02/553283302.db2.gz MOYAMCFPCQNGCI-UHFFFAOYSA-N 0 0 511.490 4.680 50 0 KJAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OC(=O)c1ccccc1F ZINC000009592555 553283537 /nfs/dbraw/zinc/28/35/37/553283537.db2.gz WRHASRICMJNMRQ-RUZDIDTESA-N 0 0 513.529 4.881 50 0 KJAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OC(=O)c1ccccc1F ZINC000009592559 553283506 /nfs/dbraw/zinc/28/35/06/553283506.db2.gz WRHASRICMJNMRQ-VWLOTQADSA-N 0 0 513.529 4.881 50 0 KJAARN 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Cc1ccc(CNC(=O)Cc2ccc(-n3c(=O)c4sccc4n(Cc4ccc(C)cc4)c3=O)cc2)cc1 ZINC000009598974 553285305 /nfs/dbraw/zinc/28/53/05/553285305.db2.gz GRWCJKGQGIAIOL-UHFFFAOYSA-N 0 0 509.631 4.738 50 0 KJAARN Cc1ccc(CNC(=O)Cc2ccc(-n3c(=O)c4sccc4n(Cc4ccc(F)cc4)c3=O)cc2)cc1 ZINC000009598975 553285342 /nfs/dbraw/zinc/28/53/42/553285342.db2.gz IORSPZFBPYZKGT-UHFFFAOYSA-N 0 0 513.594 4.569 50 0 KJAARN Cc1ccc(CNC(=O)Cc2ccc(-n3c(=O)c4sccc4n(Cc4cccc(C)c4)c3=O)cc2)cc1 ZINC000009598977 553285345 /nfs/dbraw/zinc/28/53/45/553285345.db2.gz WLWHAUYHLDJXDP-UHFFFAOYSA-N 0 0 509.631 4.738 50 0 KJAARN COc1ccc(NC(=O)Cn2c3sc(C)c(C)c3c(=O)n(-c3ccc(Cl)c(Cl)c3)c2=O)cc1 ZINC000009599107 553285286 /nfs/dbraw/zinc/28/52/86/553285286.db2.gz AUTFPUHALUAGLU-UHFFFAOYSA-N 0 0 504.395 4.785 50 0 KJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cccc4Br)s3)cc2)C1 ZINC000009599642 553285655 /nfs/dbraw/zinc/28/56/55/553285655.db2.gz VNUPBZXYYAGKSY-KBPBESRZSA-N 0 0 508.463 4.978 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cccc4Br)s3)cc2)C1 ZINC000009599643 553285705 /nfs/dbraw/zinc/28/57/05/553285705.db2.gz VNUPBZXYYAGKSY-ZIAGYGMSSA-N 0 0 508.463 4.978 50 0 KJAARN CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCCC2 ZINC000009599724 553285708 /nfs/dbraw/zinc/28/57/08/553285708.db2.gz QNMMEJOTEBLMFA-UHFFFAOYSA-N 0 0 505.706 4.542 50 0 KJAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)C[C@H](C)CC2 ZINC000009599742 553285717 /nfs/dbraw/zinc/28/57/17/553285717.db2.gz RZYUMBVVNNRZFI-QGZVFWFLSA-N 0 0 523.680 4.626 50 0 KJAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)C[C@@H](C)CC2 ZINC000009599743 553285697 /nfs/dbraw/zinc/28/56/97/553285697.db2.gz RZYUMBVVNNRZFI-KRWDZBQOSA-N 0 0 523.680 4.626 50 0 KJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[C@@H](C)C3)cc1 ZINC000009599748 553285718 /nfs/dbraw/zinc/28/57/18/553285718.db2.gz VMOMWBZUXOEICH-GOSISDBHSA-N 0 0 525.696 4.696 50 0 KJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[C@H](C)C3)cc1 ZINC000009599749 553285626 /nfs/dbraw/zinc/28/56/26/553285626.db2.gz VMOMWBZUXOEICH-SFHVURJKSA-N 0 0 525.696 4.696 50 0 KJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCCCC3)cc1 ZINC000009599765 553285892 /nfs/dbraw/zinc/28/58/92/553285892.db2.gz JICIFDLDIBDWBB-UHFFFAOYSA-N 0 0 525.696 4.840 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000009599911 553285918 /nfs/dbraw/zinc/28/59/18/553285918.db2.gz YBOUOKBUHOGAAK-UHFFFAOYSA-N 0 0 500.646 4.601 50 0 KJAARN CCCCC1CCC(C(=O)Nc2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)s2)CC1 ZINC000009600099 553285912 /nfs/dbraw/zinc/28/59/12/553285912.db2.gz ZWFPZAYEBLGZEH-UHFFFAOYSA-N 0 0 520.721 4.941 50 0 KJAARN CCOc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccccc3Cl)s2)cc1OCC ZINC000009600181 553285920 /nfs/dbraw/zinc/28/59/20/553285920.db2.gz KJDHYPFSIMPMGR-UHFFFAOYSA-N 0 0 507.037 4.650 50 0 KJAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc21 ZINC000009600643 553286105 /nfs/dbraw/zinc/28/61/05/553286105.db2.gz SRGNJTOFMMNPBJ-UHFFFAOYSA-N 0 0 506.580 4.585 50 0 biogenic KJAARN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccc(C)cc4)cs3)n2C)cc1 ZINC000009601196 553286423 /nfs/dbraw/zinc/28/64/23/553286423.db2.gz IXZGKLCZNZMNSB-QGZVFWFLSA-N 0 0 506.657 4.777 50 0 KJAARN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nc(-c4ccc(C)cc4)cs3)n2C)cc1 ZINC000009601197 553286470 /nfs/dbraw/zinc/28/64/70/553286470.db2.gz IXZGKLCZNZMNSB-KRWDZBQOSA-N 0 0 506.657 4.777 50 0 KJAARN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(I)cc1C ZINC000009601357 553286639 /nfs/dbraw/zinc/28/66/39/553286639.db2.gz QSSOOFCAPPHIRA-UHFFFAOYSA-N 0 0 522.412 4.829 50 0 KJAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000009601367 553286599 /nfs/dbraw/zinc/28/65/99/553286599.db2.gz LLCIAPUZVAAACO-NRFANRHFSA-N 0 0 500.776 4.870 50 0 KJAARN O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000009601368 553286579 /nfs/dbraw/zinc/28/65/79/553286579.db2.gz LLCIAPUZVAAACO-OAQYLSRUSA-N 0 0 500.776 4.870 50 0 KJAARN Cc1ccn([C@@H](C(=O)c2ccccc2)C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(=O)c1 ZINC000009601552 553286809 /nfs/dbraw/zinc/28/68/09/553286809.db2.gz CJVVJUDJOHEQPB-PMERELPUSA-N 0 0 520.629 4.755 50 0 KJAARN Cc1ccn([C@H](C(=O)c2ccccc2)C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(=O)c1 ZINC000009601553 553286852 /nfs/dbraw/zinc/28/68/52/553286852.db2.gz CJVVJUDJOHEQPB-SSEXGKCCSA-N 0 0 520.629 4.755 50 0 KJAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(Br)cc2)CCS3)c1 ZINC000009602759 553287183 /nfs/dbraw/zinc/28/71/83/553287183.db2.gz SBKIKFFCTUWPDM-UHFFFAOYSA-N 0 0 502.459 4.991 50 0 KJAARN O=C(NC(c1ccccc1)c1ccccc1)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009608186 553287494 /nfs/dbraw/zinc/28/74/94/553287494.db2.gz MQHKBBOTLUBCFP-UHFFFAOYSA-N 0 0 520.680 4.682 50 0 KJAARN CCN(CC)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc43)CC2)c(C)c1 ZINC000009608202 553287514 /nfs/dbraw/zinc/28/75/14/553287514.db2.gz DIQDCGZVXWORMC-UHFFFAOYSA-N 0 0 515.705 4.569 50 0 KJAARN CCCN(C(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)c1ccc(OCC)cc1 ZINC000009608318 553287531 /nfs/dbraw/zinc/28/75/31/553287531.db2.gz ITPGMNGOOLULRC-UHFFFAOYSA-N 0 0 516.689 4.618 50 0 KJAARN CCCN(C(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)c1c(C)cccc1C ZINC000009608322 553287513 /nfs/dbraw/zinc/28/75/13/553287513.db2.gz QXKVYEIQFHEVIF-UHFFFAOYSA-N 0 0 500.690 4.836 50 0 KJAARN CCCN1C(=O)c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc2[C@H]1Nc1ccc(OC)cc1OC ZINC000009609064 553287947 /nfs/dbraw/zinc/28/79/47/553287947.db2.gz QUGBIQQMUVZBSJ-SANMLTNESA-N 0 0 505.571 4.950 50 0 KJAARN CCCN1C(=O)c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc2[C@@H]1Nc1ccc(OC)cc1OC ZINC000009609066 553287899 /nfs/dbraw/zinc/28/78/99/553287899.db2.gz QUGBIQQMUVZBSJ-AREMUKBSSA-N 0 0 505.571 4.950 50 0 KJAARN CCCN1C(=O)c2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2[C@H]1Nc1ccc(OC)c(OC)c1 ZINC000009609103 553287944 /nfs/dbraw/zinc/28/79/44/553287944.db2.gz DQNLXCLPLHZKEL-SANMLTNESA-N 0 0 505.571 4.950 50 0 KJAARN CCCN1C(=O)c2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2[C@@H]1Nc1ccc(OC)c(OC)c1 ZINC000009609107 553287893 /nfs/dbraw/zinc/28/78/93/553287893.db2.gz DQNLXCLPLHZKEL-AREMUKBSSA-N 0 0 505.571 4.950 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CCc2c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn3c2C)cc1 ZINC000009609161 553287876 /nfs/dbraw/zinc/28/78/76/553287876.db2.gz VIMJBPLSTIMVDH-UHFFFAOYSA-N 0 0 502.571 4.778 50 0 KJAARN COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)Nc4cc(OC)c(OC)c(OC)c4)c(C)n3n2)c1 ZINC000009609210 553287885 /nfs/dbraw/zinc/28/78/85/553287885.db2.gz RGHFBYMJMJVJIU-UHFFFAOYSA-N 0 0 520.586 4.627 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn3c2C)c1 ZINC000009609218 553287913 /nfs/dbraw/zinc/28/79/13/553287913.db2.gz QXBGLNLEABEMNM-UHFFFAOYSA-N 0 0 502.571 4.778 50 0 KJAARN COC(=O)c1cc(NC(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc(C(=O)OC)c1 ZINC000009609377 553287918 /nfs/dbraw/zinc/28/79/18/553287918.db2.gz DLAMXFXUBUXEBI-UHFFFAOYSA-N 0 0 518.545 4.605 50 0 KJAARN COC(=O)c1cc(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)cc(C(=O)OC)c1 ZINC000009609521 553287865 /nfs/dbraw/zinc/28/78/65/553287865.db2.gz SOXIGKLJJIQHQG-UHFFFAOYSA-N 0 0 520.973 4.811 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)cc1 ZINC000009609713 553287848 /nfs/dbraw/zinc/28/78/48/553287848.db2.gz WPQSMKJOIILWDQ-UHFFFAOYSA-N 0 0 523.634 4.754 50 0 KJAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4cc(OC)c(OC)c(OC)c4)c(C)n3n2)c(OC)c1 ZINC000009609976 553288165 /nfs/dbraw/zinc/28/81/65/553288165.db2.gz WXMSHLDDSHLAPJ-UHFFFAOYSA-N 0 0 520.586 4.627 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccc(OC)cc3OC)nn2c1C ZINC000009610014 553288163 /nfs/dbraw/zinc/28/81/63/553288163.db2.gz BHPVEJLUZAMRSB-UHFFFAOYSA-N 0 0 502.571 4.778 50 0 KJAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCN(c5cccc(C)c5C)CC4)c(C)n3n2)c(OC)c1 ZINC000009610109 553288131 /nfs/dbraw/zinc/28/81/31/553288131.db2.gz JWZQPBSYWXJOAP-UHFFFAOYSA-N 0 0 527.669 4.929 50 0 KJAARN COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)Nc4ccc(Br)cc4)c(C)n3n2)c1 ZINC000009610174 553288263 /nfs/dbraw/zinc/28/82/63/553288263.db2.gz XBBKSURIHHCCBA-UHFFFAOYSA-N 0 0 510.392 4.759 50 0 KJAARN COC(=O)c1cc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)cc(C(=O)OC)c1 ZINC000009610225 553288293 /nfs/dbraw/zinc/28/82/93/553288293.db2.gz UYEVTIQVKWFNQF-UHFFFAOYSA-N 0 0 514.582 4.799 50 0 KJAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NCCc2ccc(SC)cc2)c1C ZINC000009610320 553288458 /nfs/dbraw/zinc/28/84/58/553288458.db2.gz FBPBCBKJAZSLLM-UHFFFAOYSA-N 0 0 504.656 4.513 50 0 KJAARN CC(=O)N1CCC(c2c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cnn2-c2ccc(C)cc2)CC1 ZINC000009610477 553288702 /nfs/dbraw/zinc/28/87/02/553288702.db2.gz GLLVYTTYAZXCEW-UHFFFAOYSA-N 0 0 520.077 4.831 50 0 KJAARN CCOc1ccc2nc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc4nc(C)sc4c3)sc2c1 ZINC000009610818 553288848 /nfs/dbraw/zinc/28/88/48/553288848.db2.gz ZWHBQDDYONQDPC-LJQANCHMSA-N 0 0 518.686 4.945 50 0 KJAARN CCOc1ccc2nc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc4nc(C)sc4c3)sc2c1 ZINC000009610819 553288829 /nfs/dbraw/zinc/28/88/29/553288829.db2.gz ZWHBQDDYONQDPC-IBGZPJMESA-N 0 0 518.686 4.945 50 0 KJAARN COc1ccc2nc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc4nc(C)sc4c3)sc2c1 ZINC000009610820 553288851 /nfs/dbraw/zinc/28/88/51/553288851.db2.gz LHFIWFPMJWXJLN-SFHVURJKSA-N 0 0 504.659 4.555 50 0 KJAARN COc1ccc2nc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc4nc(C)sc4c3)sc2c1 ZINC000009610821 553288803 /nfs/dbraw/zinc/28/88/03/553288803.db2.gz LHFIWFPMJWXJLN-GOSISDBHSA-N 0 0 504.659 4.555 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3nc(C)sc3c2)cc1Cl ZINC000009610830 553288809 /nfs/dbraw/zinc/28/88/09/553288809.db2.gz QLZKLUGBXLMNCR-SFHVURJKSA-N 0 0 512.053 4.607 50 0 KJAARN COc1cc(OC)c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3nc(C)sc3c2)cc1Cl ZINC000009610831 553288799 /nfs/dbraw/zinc/28/87/99/553288799.db2.gz QLZKLUGBXLMNCR-GOSISDBHSA-N 0 0 512.053 4.607 50 0 KJAARN CCOc1ccc(OCC)c(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000009610911 553288838 /nfs/dbraw/zinc/28/88/38/553288838.db2.gz ZYOFUEMTTORNBU-NRFANRHFSA-N 0 0 505.662 4.734 50 0 KJAARN CCOc1ccc(CCNC(=O)CCc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1OCC ZINC000009611509 553289197 /nfs/dbraw/zinc/28/91/97/553289197.db2.gz WGHYBUMOHIGKQQ-UHFFFAOYSA-N 0 0 502.615 4.577 50 0 KJAARN COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)CC2)o1 ZINC000009611513 553289193 /nfs/dbraw/zinc/28/91/93/553289193.db2.gz UXASRCQTSOZFDH-UHFFFAOYSA-N 0 0 515.595 4.857 50 0 KJAARN COc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc5[nH]c(-c6ccccc6)nc5c4)CC3)o2)cc1 ZINC000009611515 553289249 /nfs/dbraw/zinc/28/92/49/553289249.db2.gz AKBQDLZJTUJMMI-UHFFFAOYSA-N 0 0 515.595 4.857 50 0 KJAARN CC(=O)N1CCC(c2c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cnn2-c2ccccc2)CC1 ZINC000009611554 553289253 /nfs/dbraw/zinc/28/92/53/553289253.db2.gz ZVPWKEPFRLCKOX-UHFFFAOYSA-N 0 0 506.050 4.522 50 0 KJAARN Cc1c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000009612163 553289410 /nfs/dbraw/zinc/28/94/10/553289410.db2.gz HNWANSMWOVMICA-UHFFFAOYSA-N 0 0 500.064 4.794 50 0 KJAARN Cc1c(C2=CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000009612173 553289555 /nfs/dbraw/zinc/28/95/55/553289555.db2.gz OJDKGCXJYLDSJI-UHFFFAOYSA-N 0 0 504.077 4.765 50 0 KJAARN Cc1c(C2=CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000009612174 553289661 /nfs/dbraw/zinc/28/96/61/553289661.db2.gz MFQJIWIMIHBTCH-UHFFFAOYSA-N 0 0 517.695 4.929 50 0 KJAARN COc1ccc(Cl)cc1S(=O)(=O)N1CC=C(c2c(C)n(CC(=O)N3CCCC3)c3ccccc32)CC1 ZINC000009612175 553289567 /nfs/dbraw/zinc/28/95/67/553289567.db2.gz PUNHFSVXBQKJQR-UHFFFAOYSA-N 0 0 528.074 4.712 50 0 KJAARN Cc1c(C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000009612179 553289657 /nfs/dbraw/zinc/28/96/57/553289657.db2.gz JUSBLOSISSJDEG-UHFFFAOYSA-N 0 0 506.093 4.855 50 0 KJAARN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2ccc(SC)cc2)cc1OC ZINC000009614304 553289812 /nfs/dbraw/zinc/28/98/12/553289812.db2.gz VULHZZRNJOQEBI-QHCPKHFHSA-N 0 0 529.680 4.974 50 0 KJAARN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2ccc(SC)cc2)cc1OC ZINC000009614305 553289833 /nfs/dbraw/zinc/28/98/33/553289833.db2.gz VULHZZRNJOQEBI-HSZRJFAPSA-N 0 0 529.680 4.974 50 0 KJAARN CCOC(=O)c1ccc(C)c(CNC(=O)CSc2nc3cc(C)cc(-n4nc5ccccc5n4)c3o2)c1 ZINC000009614356 553289817 /nfs/dbraw/zinc/28/98/17/553289817.db2.gz OUYJCTFCKLWZMO-UHFFFAOYSA-N 0 0 515.595 4.764 50 0 KJAARN O=C(Nc1ccc2c(c1)oc1ccc(S(=O)(=O)N3CCOCC3)cc12)c1ccc(C(F)(F)F)cc1 ZINC000009614366 553289828 /nfs/dbraw/zinc/28/98/28/553289828.db2.gz IMAUCHJOABYRRL-UHFFFAOYSA-N 0 0 504.486 4.878 50 0 KJAARN Cc1ccc(C)c(CN2c3ccc(Br)cc3[C@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)c1 ZINC000009614484 553290012 /nfs/dbraw/zinc/29/00/12/553290012.db2.gz PJZHUKGKBRKZJF-HHHXNRCGSA-N 0 0 522.395 4.845 50 0 KJAARN Cc1ccc(C)c(CN2c3ccc(Br)cc3[C@@](O)(CC(=O)c3ccc4c(c3)OCCO4)C2=O)c1 ZINC000009614485 553290050 /nfs/dbraw/zinc/29/00/50/553290050.db2.gz PJZHUKGKBRKZJF-MHZLTWQESA-N 0 0 522.395 4.845 50 0 KJAARN CC(C)=C(/C(=C/CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000009614772 553290242 /nfs/dbraw/zinc/29/02/42/553290242.db2.gz OWVPCZCFSPTKDR-MOHJPFBDSA-N 0 0 516.662 4.586 50 0 KJAARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(N4C(=O)c5ccc(Cl)cc5C4=O)c(C)c3)CC2)cc1 ZINC000009615107 553290251 /nfs/dbraw/zinc/29/02/51/553290251.db2.gz JAWQEEDGGCUVCP-UHFFFAOYSA-N 0 0 508.983 4.702 50 0 KJAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)C(=O)N1 ZINC000009615272 553290316 /nfs/dbraw/zinc/29/03/16/553290316.db2.gz JABYFVYEAXYMQE-FUFSCUOVSA-N 0 0 500.574 4.866 50 0 KJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N(CC)Cc3ccccc3)c2=O)CCCC4)cc1 ZINC000009615376 553290440 /nfs/dbraw/zinc/29/04/40/553290440.db2.gz SNKWQTPQNXTPEV-UHFFFAOYSA-N 0 0 501.652 4.704 50 0 KJAARN CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)N(CC)Cc3ccccc3)c2=O)CCCCC4)cc1 ZINC000009615565 553290478 /nfs/dbraw/zinc/29/04/78/553290478.db2.gz IIAMGOOXTWRBEA-UHFFFAOYSA-N 0 0 531.678 4.930 50 0 KJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3ccc(OC)c(Cl)c3)c2=O)CCCC4)cc1 ZINC000009615577 553290455 /nfs/dbraw/zinc/29/04/55/553290455.db2.gz NHXMOSOBSSNGGV-UHFFFAOYSA-N 0 0 524.042 4.956 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)Cn1c2sc3c(c2c(=O)n(CCc2ccccc2)c1=O)CCCC3 ZINC000009615600 553290471 /nfs/dbraw/zinc/29/04/71/553290471.db2.gz WWMCEBMATUUMMY-UHFFFAOYSA-N 0 0 524.042 4.647 50 0 KJAARN CCN(Cc1ccccc1)C(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCCC3 ZINC000009615694 553290448 /nfs/dbraw/zinc/29/04/48/553290448.db2.gz GOFGUAXPZGPGHD-UHFFFAOYSA-N 0 0 508.043 4.795 50 0 KJAARN 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COc1cccc(CN2c3cc(C(=O)N4CCC5(CC4)OCCO5)ccc3Sc3ccccc3C2=O)c1 ZINC000009678414 553295656 /nfs/dbraw/zinc/29/56/56/553295656.db2.gz BRNNEYVFYNRKKV-UHFFFAOYSA-N 0 0 516.619 4.986 50 0 biogenic KJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(C)c2)c2ccccc2)cc1 ZINC000009678733 553295806 /nfs/dbraw/zinc/29/58/06/553295806.db2.gz UVTDCJHPKZXHHW-UHFFFAOYSA-N 0 0 503.418 4.990 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2Cc2ccccc2)cc1 ZINC000009678825 553295737 /nfs/dbraw/zinc/29/57/37/553295737.db2.gz XBQITILJHRCRCR-JOCHJYFZSA-N 0 0 507.999 4.658 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2Cc2ccccc2)cc1 ZINC000009678827 553295735 /nfs/dbraw/zinc/29/57/35/553295735.db2.gz XBQITILJHRCRCR-QFIPXVFZSA-N 0 0 507.999 4.658 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1)c1ccccc1Cl ZINC000009679273 553296002 /nfs/dbraw/zinc/29/60/02/553296002.db2.gz HQXZZHBGSMAPIH-UHFFFAOYSA-N 0 0 512.756 4.998 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679350 553296415 /nfs/dbraw/zinc/29/64/15/553296415.db2.gz PWIVKGNJYTVEQH-AREMUKBSSA-N 0 0 511.534 4.798 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679352 553296258 /nfs/dbraw/zinc/29/62/58/553296258.db2.gz PWIVKGNJYTVEQH-SANMLTNESA-N 0 0 511.534 4.798 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cccc(C)c3C)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000009680354 553296615 /nfs/dbraw/zinc/29/66/15/553296615.db2.gz OIYOHIZTKWADQN-LOYHVIPDSA-N 0 0 525.649 4.506 50 0 KJAARN O=C1c2ccccc2[C@H](Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000009681134 553296731 /nfs/dbraw/zinc/29/67/31/553296731.db2.gz AXJJREFWFAFDEW-HHHXNRCGSA-N 0 0 519.623 4.747 50 0 KJAARN O=C1c2ccccc2[C@@H](Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000009681137 553296789 /nfs/dbraw/zinc/29/67/89/553296789.db2.gz AXJJREFWFAFDEW-MHZLTWQESA-N 0 0 519.623 4.747 50 0 KJAARN COc1ccc(-n2nc(C(=O)Nc3nc4ccc(OC)cc4s3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681689 553296991 /nfs/dbraw/zinc/29/69/91/553296991.db2.gz BUHGGZINZLFBEZ-UHFFFAOYSA-N 0 0 511.563 4.757 50 0 KJAARN COc1ccc(-n2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681715 553296976 /nfs/dbraw/zinc/29/69/76/553296976.db2.gz CLGRVRVKYXQBSI-UHFFFAOYSA-N 0 0 518.957 4.809 50 0 KJAARN COc1ccc(-n2nc(C(=O)N3CCC(Cc4ccccc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681750 553296957 /nfs/dbraw/zinc/29/69/57/553296957.db2.gz VRXIPTOXQMHQAS-UHFFFAOYSA-N 0 0 506.606 4.981 50 0 KJAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccc(C)cc4)[C@@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681789 553296983 /nfs/dbraw/zinc/29/69/83/553296983.db2.gz NZOMOMHVFMOFFB-NRFANRHFSA-N 0 0 521.621 4.545 50 0 KJAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccc(C)cc4)[C@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681791 553296956 /nfs/dbraw/zinc/29/69/56/553296956.db2.gz NZOMOMHVFMOFFB-OAQYLSRUSA-N 0 0 521.621 4.545 50 0 KJAARN COc1ccc(-n2nc(C(=O)N(C)c3ccc(Br)cc3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681846 553296947 /nfs/dbraw/zinc/29/69/47/553296947.db2.gz KPVQJTZIFCFLDI-UHFFFAOYSA-N 0 0 517.383 4.925 50 0 KJAARN CCN(C(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C)c1cc(OC)ccc1OC ZINC000009681860 553296948 /nfs/dbraw/zinc/29/69/48/553296948.db2.gz NOXUEOGILHCYMV-UHFFFAOYSA-N 0 0 512.566 4.570 50 0 KJAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681983 553297193 /nfs/dbraw/zinc/29/71/93/553297193.db2.gz KABBRSOUNWEROP-UHFFFAOYSA-N 0 0 512.013 4.802 50 0 KJAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682099 553297132 /nfs/dbraw/zinc/29/71/32/553297132.db2.gz BQMAMYSVBWLZTL-JOCHJYFZSA-N 0 0 505.622 4.845 50 0 KJAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682101 553297198 /nfs/dbraw/zinc/29/71/98/553297198.db2.gz BQMAMYSVBWLZTL-QFIPXVFZSA-N 0 0 505.622 4.845 50 0 KJAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682105 553297141 /nfs/dbraw/zinc/29/71/41/553297141.db2.gz SZSQQSIPTOSITD-UHFFFAOYSA-N 0 0 505.622 4.765 50 0 KJAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682112 553297170 /nfs/dbraw/zinc/29/71/70/553297170.db2.gz AFMZKUUGGJUKLY-UHFFFAOYSA-N 0 0 512.013 4.802 50 0 KJAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(C(C)C)cc3)ccc21 ZINC000009692274 553297917 /nfs/dbraw/zinc/29/79/17/553297917.db2.gz IAMRMXKVMJUVKE-SANMLTNESA-N 0 0 519.667 4.637 50 0 KJAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(C(C)C)cc3)ccc21 ZINC000009692275 553297942 /nfs/dbraw/zinc/29/79/42/553297942.db2.gz IAMRMXKVMJUVKE-AREMUKBSSA-N 0 0 519.667 4.637 50 0 KJAARN CCN(CC)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)c(C)c1 ZINC000009692587 553298160 /nfs/dbraw/zinc/29/81/60/553298160.db2.gz XUHSUUOGOMZFGQ-HSZRJFAPSA-N 0 0 509.657 4.504 50 0 KJAARN CCN(CC)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)c(C)c1 ZINC000009692588 553298120 /nfs/dbraw/zinc/29/81/20/553298120.db2.gz XUHSUUOGOMZFGQ-QHCPKHFHSA-N 0 0 509.657 4.504 50 0 KJAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3n(Cc3ccc(F)cc3Cl)c2=O)cc1 ZINC000009692706 553298143 /nfs/dbraw/zinc/29/81/43/553298143.db2.gz OOCLLNYQQDBJDG-UHFFFAOYSA-N 0 0 517.944 4.825 50 0 KJAARN CCc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000009692733 553298303 /nfs/dbraw/zinc/29/83/03/553298303.db2.gz BGANQVRQDCSDOZ-UHFFFAOYSA-N 0 0 521.592 4.875 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H](C)[C@H]2Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1OC ZINC000009692762 553298276 /nfs/dbraw/zinc/29/82/76/553298276.db2.gz NNGIJVKGELYOPQ-HFJWLAOPSA-N 0 0 508.615 4.845 50 0 KJAARN COc1ccc(CCNC(=O)[C@H](C)[C@H]2Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1OC ZINC000009692763 553298262 /nfs/dbraw/zinc/29/82/62/553298262.db2.gz NNGIJVKGELYOPQ-WXTAPIANSA-N 0 0 508.615 4.845 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H](C)[C@@H]2Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1OC ZINC000009692764 553298281 /nfs/dbraw/zinc/29/82/81/553298281.db2.gz NNGIJVKGELYOPQ-QYBDOPJKSA-N 0 0 508.615 4.845 50 0 KJAARN COc1ccc(CCNC(=O)[C@H](C)[C@@H]2Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1OC ZINC000009692765 553298319 /nfs/dbraw/zinc/29/83/19/553298319.db2.gz NNGIJVKGELYOPQ-DWXRJYCRSA-N 0 0 508.615 4.845 50 0 KJAARN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[C@H]1Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000009692816 553298305 /nfs/dbraw/zinc/29/83/05/553298305.db2.gz AFELYSMEWFWWSM-SXMMONRFSA-N 0 0 509.027 4.940 50 0 KJAARN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[C@@H]1Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000009692818 553298330 /nfs/dbraw/zinc/29/83/30/553298330.db2.gz AFELYSMEWFWWSM-MVIPISOYSA-N 0 0 509.027 4.940 50 0 KJAARN Cc1ccc(C)c(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)N3CCN(c4ccccn4)CC3)C2=O)c1 ZINC000009692995 553298501 /nfs/dbraw/zinc/29/85/01/553298501.db2.gz GGIPNOIURBRTSO-AJTFRIOCSA-N 0 0 500.668 4.691 50 0 KJAARN Cc1ccc(C)c(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)N3CCN(c4ccccn4)CC3)C2=O)c1 ZINC000009692996 553298524 /nfs/dbraw/zinc/29/85/24/553298524.db2.gz GGIPNOIURBRTSO-AMGIVPHBSA-N 0 0 500.668 4.691 50 0 KJAARN Cc1ccc(C)c(CN2c3ccccc3S[C@H]([C@H](C)C(=O)N3CCN(c4ccccn4)CC3)C2=O)c1 ZINC000009692997 553298516 /nfs/dbraw/zinc/29/85/16/553298516.db2.gz GGIPNOIURBRTSO-WXVAWEFUSA-N 0 0 500.668 4.691 50 0 KJAARN Cc1ccc(C)c(CN2c3ccccc3S[C@@H]([C@H](C)C(=O)N3CCN(c4ccccn4)CC3)C2=O)c1 ZINC000009692998 553298486 /nfs/dbraw/zinc/29/84/86/553298486.db2.gz GGIPNOIURBRTSO-CUNXSJBXSA-N 0 0 500.668 4.691 50 0 KJAARN COc1ccc(NC(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)c(OC)c1 ZINC000009693618 553298515 /nfs/dbraw/zinc/29/85/15/553298515.db2.gz LXJMYJYJWLVTLG-UHFFFAOYSA-N 0 0 518.957 4.809 50 0 KJAARN COc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(OC)c3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000009693620 553298504 /nfs/dbraw/zinc/29/85/04/553298504.db2.gz KIURATTUHKEDGB-UHFFFAOYSA-N 0 0 518.957 4.809 50 0 KJAARN COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCCO4)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000009693624 553298497 /nfs/dbraw/zinc/29/84/97/553298497.db2.gz FFMKGEZDNPEWHK-UHFFFAOYSA-N 0 0 516.941 4.563 50 0 KJAARN COC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2c1c1ccccc1n2C ZINC000009693637 553298507 /nfs/dbraw/zinc/29/85/07/553298507.db2.gz KPQNWJAARMTHAL-UHFFFAOYSA-N 0 0 516.941 4.578 50 0 KJAARN COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)c1 ZINC000009693649 553298669 /nfs/dbraw/zinc/29/86/69/553298669.db2.gz RRQUVQBSBZGEOJ-UHFFFAOYSA-N 0 0 518.957 4.809 50 0 KJAARN COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000009693650 553298694 /nfs/dbraw/zinc/29/86/94/553298694.db2.gz UZIBCCBTVDDDIK-UHFFFAOYSA-N 0 0 502.914 4.520 50 0 KJAARN COc1ccc(N(C)C(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000009693669 553298650 /nfs/dbraw/zinc/29/86/50/553298650.db2.gz YRVHAQIXSFEYFT-UHFFFAOYSA-N 0 0 502.958 4.825 50 0 KJAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)nc3ccccc32)CC1 ZINC000009693789 553298897 /nfs/dbraw/zinc/29/88/97/553298897.db2.gz VJPIQNXBWJUQGC-MDZDMXLPSA-N 0 0 506.584 4.642 50 0 KJAARN O=C(c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009693873 553299021 /nfs/dbraw/zinc/29/90/21/553299021.db2.gz FOYOFIYIAYRCJT-PMERELPUSA-N 0 0 507.837 4.966 50 0 KJAARN O=C(c1ccc(C[S@](=O)c2ccc(Br)cc2)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009693874 553299024 /nfs/dbraw/zinc/29/90/24/553299024.db2.gz FOYOFIYIAYRCJT-SSEXGKCCSA-N 0 0 507.837 4.966 50 0 KJAARN CCN(CCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)c1cccc(C)c1 ZINC000009693893 553298989 /nfs/dbraw/zinc/29/89/89/553298989.db2.gz IHXRSYFQTNELCB-UHFFFAOYSA-N 0 0 519.461 4.971 50 0 KJAARN O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O ZINC000009694005 553299259 /nfs/dbraw/zinc/29/92/59/553299259.db2.gz QWLFIWWQYSEXFJ-DHUJRADRSA-N 0 0 501.995 4.992 50 0 KJAARN O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O 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CCn1cc(C(=O)NC2CCCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000009731156 553302468 /nfs/dbraw/zinc/30/24/68/553302468.db2.gz YLSOMBKCQHRWGW-UHFFFAOYSA-N 0 0 521.683 4.611 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000009762313 553303017 /nfs/dbraw/zinc/30/30/17/553303017.db2.gz WTAIGCVLFXPDBW-VEOZPNHKSA-N 0 0 512.631 4.960 50 0 KJAARN COc1ccccc1N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000009762840 553303204 /nfs/dbraw/zinc/30/32/04/553303204.db2.gz YFTRLYDJVPDLMO-UHFFFAOYSA-N 0 0 528.074 4.510 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009763083 553303184 /nfs/dbraw/zinc/30/31/84/553303184.db2.gz DDJMLPODXHNVST-UHFFFAOYSA-N 0 0 506.411 4.781 50 0 KJAARN COc1ccc(CCN2C(=S)N(Cc3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009763388 553303206 /nfs/dbraw/zinc/30/32/06/553303206.db2.gz JZXSCRZLVMEUHL-DEOSSOPVSA-N 0 0 508.043 4.918 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2F)cc1 ZINC000009763455 553303454 /nfs/dbraw/zinc/30/34/54/553303454.db2.gz SKWODSLIEQMFNG-UHFFFAOYSA-N 0 0 516.038 4.640 50 0 KJAARN Cc1ccc(CN(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000009763492 553303442 /nfs/dbraw/zinc/30/34/42/553303442.db2.gz SJDYBMQLGAFDOS-UHFFFAOYSA-N 0 0 513.457 4.533 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000009763608 553303372 /nfs/dbraw/zinc/30/33/72/553303372.db2.gz HXMXUHYKFITLCF-RUZDIDTESA-N 0 0 505.615 4.794 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000009763609 553303414 /nfs/dbraw/zinc/30/34/14/553303414.db2.gz HXMXUHYKFITLCF-VWLOTQADSA-N 0 0 505.615 4.794 50 0 KJAARN CCOc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3csc(Nc4ccc(C)cc4)n3)CC2)CC1 ZINC000009763793 553303517 /nfs/dbraw/zinc/30/35/17/553303517.db2.gz TYWHSHUUALHFQL-UHFFFAOYSA-N 0 0 533.698 4.795 50 0 KJAARN COc1ccc(CCN(C)C(=O)C2CCN(C(=O)c3csc(Nc4ccc(C)cc4)n3)CC2)cc1OC ZINC000009763802 553303513 /nfs/dbraw/zinc/30/35/13/553303513.db2.gz FZMCZGHCXCDAPA-UHFFFAOYSA-N 0 0 522.671 4.766 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009764303 553303805 /nfs/dbraw/zinc/30/38/05/553303805.db2.gz SGZRLCCDKRAZKT-SANMLTNESA-N 0 0 515.562 4.924 50 0 KJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)c1 ZINC000009775291 553303772 /nfs/dbraw/zinc/30/37/72/553303772.db2.gz DUCUFIBCVQUZKQ-UHFFFAOYSA-N 0 0 512.444 4.549 50 0 KJAARN COC(=O)c1cc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)cc(C(=O)OC)c1 ZINC000009775300 553303760 /nfs/dbraw/zinc/30/37/60/553303760.db2.gz NYYBGJUKMYYIFU-UHFFFAOYSA-N 0 0 512.444 4.549 50 0 KJAARN CCOC(=O)CSc1nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c(=O)n1Cc1ccccc1 ZINC000009775362 553303896 /nfs/dbraw/zinc/30/38/96/553303896.db2.gz HFPXWTNCHFWVHV-UHFFFAOYSA-N 0 0 501.608 4.969 50 0 KJAARN CCOC(=O)CSc1nc2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2c(=O)n1C1CCCCC1 ZINC000009775409 553303935 /nfs/dbraw/zinc/30/39/35/553303935.db2.gz CXSUZSXYCDEXLZ-UHFFFAOYSA-N 0 0 525.627 4.826 50 0 KJAARN CCOC(=O)CSc1nc2sc(C(=O)NC3CCCCC3)c(C)c2c(=O)n1CCc1ccccc1 ZINC000009775479 553304149 /nfs/dbraw/zinc/30/41/49/553304149.db2.gz UGLSMBGJUUHWHQ-UHFFFAOYSA-N 0 0 513.685 4.727 50 0 KJAARN O=C(CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(Oc2ccccc2)cc1 ZINC000009775573 553304254 /nfs/dbraw/zinc/30/42/54/553304254.db2.gz MOPCFHKOGCPDCX-UHFFFAOYSA-N 0 0 516.623 4.664 50 0 KJAARN COc1ccccc1C(=O)NCCn1cc(SCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000009775762 553304440 /nfs/dbraw/zinc/30/44/40/553304440.db2.gz KOMXSDGLBMCTBU-UHFFFAOYSA-N 0 0 528.678 4.521 50 0 KJAARN COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 ZINC000009775774 553304441 /nfs/dbraw/zinc/30/44/41/553304441.db2.gz QPGAKRCBIQWISZ-UHFFFAOYSA-N 0 0 503.580 4.539 50 0 KJAARN COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000009775775 553304439 /nfs/dbraw/zinc/30/44/39/553304439.db2.gz BJBJJEUDUAXKRQ-UHFFFAOYSA-N 0 0 517.607 4.582 50 0 KJAARN COc1ccc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3OC)c3ccccc23)c(OC)c1 ZINC000009775782 553304445 /nfs/dbraw/zinc/30/44/45/553304445.db2.gz WAUPSPCHXJHLNO-UHFFFAOYSA-N 0 0 519.623 4.828 50 0 KJAARN O=C(CSc1cn(CCNC(=O)c2ccc(F)cc2)c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000009775794 553304456 /nfs/dbraw/zinc/30/44/56/553304456.db2.gz SEZDUUIDARHIJE-UHFFFAOYSA-N 0 0 505.571 4.712 50 0 KJAARN CCSc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c3ccccc23)s1 ZINC000009775796 553304463 /nfs/dbraw/zinc/30/44/63/553304463.db2.gz PSSZJEDIVWJDDW-UHFFFAOYSA-N 0 0 515.661 4.905 50 0 KJAARN COc1ccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c3ccccc23)c(OC)c1 ZINC000009775802 553304448 /nfs/dbraw/zinc/30/44/48/553304448.db2.gz KNOASVAQCKFQHG-UHFFFAOYSA-N 0 0 507.587 4.958 50 0 KJAARN O=C(CSc1cn(CCNC(=O)c2ccccc2F)c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000009775821 553304681 /nfs/dbraw/zinc/30/46/81/553304681.db2.gz CLEAPZQBRNRZCC-UHFFFAOYSA-N 0 0 505.571 4.712 50 0 KJAARN CCSc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3F)c3ccccc23)s1 ZINC000009775823 553304657 /nfs/dbraw/zinc/30/46/57/553304657.db2.gz BNWTXZAWVSDEAU-UHFFFAOYSA-N 0 0 515.661 4.905 50 0 KJAARN CCOc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)cc1 ZINC000009775834 553304674 /nfs/dbraw/zinc/30/46/74/553304674.db2.gz OWSQWRUAQJLJAU-UHFFFAOYSA-N 0 0 517.607 4.930 50 0 KJAARN COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3cccs3)c3ccccc23)cc1OC ZINC000009775872 553304667 /nfs/dbraw/zinc/30/46/67/553304667.db2.gz RCYBEAIUAIVKBO-UHFFFAOYSA-N 0 0 523.680 4.601 50 0 KJAARN CCSc1nnc(NC(=O)CSc2cn(CCNC(=O)c3cccs3)c3ccccc23)s1 ZINC000009775875 553304654 /nfs/dbraw/zinc/30/46/54/553304654.db2.gz YEXXTACPTDSXEY-UHFFFAOYSA-N 0 0 503.700 4.827 50 0 KJAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccc(F)cc3)c3ccccc32)cc1OC ZINC000009775889 553304662 /nfs/dbraw/zinc/30/46/62/553304662.db2.gz YEMKBTRSEGJIEX-UHFFFAOYSA-N 0 0 507.587 4.958 50 0 KJAARN COc1ccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(OC)c(OC)c3)c3ccccc23)cc1 ZINC000009775890 553304664 /nfs/dbraw/zinc/30/46/64/553304664.db2.gz YPFPWRHDDLDXMG-UHFFFAOYSA-N 0 0 519.623 4.828 50 0 KJAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccccc3F)c3ccccc32)cc1OC ZINC000009775902 553304660 /nfs/dbraw/zinc/30/46/60/553304660.db2.gz SZKRGZPSXFZEDZ-UHFFFAOYSA-N 0 0 507.587 4.958 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776058 553305086 /nfs/dbraw/zinc/30/50/86/553305086.db2.gz OYCSSHZWGUEOGC-KAYWLYCHSA-N 0 0 504.627 4.674 50 0 biogenic KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776059 553305087 /nfs/dbraw/zinc/30/50/87/553305087.db2.gz OYCSSHZWGUEOGC-SXOMAYOGSA-N 0 0 504.627 4.674 50 0 biogenic KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776060 553305072 /nfs/dbraw/zinc/30/50/72/553305072.db2.gz OYCSSHZWGUEOGC-RRPNLBNLSA-N 0 0 504.627 4.674 50 0 biogenic KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000009776061 553305077 /nfs/dbraw/zinc/30/50/77/553305077.db2.gz OYCSSHZWGUEOGC-SVBPBHIXSA-N 0 0 504.627 4.674 50 0 biogenic KJAARN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1Cl ZINC000009776104 553305054 /nfs/dbraw/zinc/30/50/54/553305054.db2.gz BKJLGTIOVDWVNS-UHFFFAOYSA-N 0 0 504.974 4.540 50 0 KJAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000009776340 553305526 /nfs/dbraw/zinc/30/55/26/553305526.db2.gz YUMUWUGFMBCTMJ-KAYWLYCHSA-N 0 0 519.642 4.609 50 0 KJAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000009776341 553305501 /nfs/dbraw/zinc/30/55/01/553305501.db2.gz YUMUWUGFMBCTMJ-RRPNLBNLSA-N 0 0 519.642 4.609 50 0 KJAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000009776342 553305486 /nfs/dbraw/zinc/30/54/86/553305486.db2.gz YUMUWUGFMBCTMJ-SXOMAYOGSA-N 0 0 519.642 4.609 50 0 KJAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000009776343 553305492 /nfs/dbraw/zinc/30/54/92/553305492.db2.gz YUMUWUGFMBCTMJ-SVBPBHIXSA-N 0 0 519.642 4.609 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776425 553305752 /nfs/dbraw/zinc/30/57/52/553305752.db2.gz IPONSKCYNFLAGS-VSGBNLITSA-N 0 0 528.605 4.555 50 0 biogenic KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776426 553305755 /nfs/dbraw/zinc/30/57/55/553305755.db2.gz IPONSKCYNFLAGS-IZLXSDGUSA-N 0 0 528.605 4.555 50 0 biogenic KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776427 553305746 /nfs/dbraw/zinc/30/57/46/553305746.db2.gz IPONSKCYNFLAGS-WUFINQPMSA-N 0 0 528.605 4.555 50 0 biogenic KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776428 553305724 /nfs/dbraw/zinc/30/57/24/553305724.db2.gz IPONSKCYNFLAGS-NSOVKSMOSA-N 0 0 528.605 4.555 50 0 biogenic KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000009776463 553305868 /nfs/dbraw/zinc/30/58/68/553305868.db2.gz YRYXSBKVWYETLI-JWQCQUIFSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000009776464 553305906 /nfs/dbraw/zinc/30/59/06/553305906.db2.gz YRYXSBKVWYETLI-RPBOFIJWSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000009776465 553305884 /nfs/dbraw/zinc/30/58/84/553305884.db2.gz YRYXSBKVWYETLI-LOSJGSFVSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000009776466 553305859 /nfs/dbraw/zinc/30/58/59/553305859.db2.gz YRYXSBKVWYETLI-DQEYMECFSA-N 0 0 510.974 4.924 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776495 553305847 /nfs/dbraw/zinc/30/58/47/553305847.db2.gz MZESXUJTGTZMSY-PDDLMNHVSA-N 0 0 529.637 4.546 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776496 553305894 /nfs/dbraw/zinc/30/58/94/553305894.db2.gz MZESXUJTGTZMSY-VIZCGCQYSA-N 0 0 529.637 4.546 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776497 553305817 /nfs/dbraw/zinc/30/58/17/553305817.db2.gz MZESXUJTGTZMSY-FREGXXQWSA-N 0 0 529.637 4.546 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776498 553305857 /nfs/dbraw/zinc/30/58/57/553305857.db2.gz MZESXUJTGTZMSY-YZNIXAGQSA-N 0 0 529.637 4.546 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4F)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776499 553305871 /nfs/dbraw/zinc/30/58/71/553305871.db2.gz WROIRBPPPGRMJG-VAVYLYDRSA-N 0 0 517.601 4.676 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccc4F)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776500 553305833 /nfs/dbraw/zinc/30/58/33/553305833.db2.gz WROIRBPPPGRMJG-IRPSRAIASA-N 0 0 517.601 4.676 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776501 553305897 /nfs/dbraw/zinc/30/58/97/553305897.db2.gz WROIRBPPPGRMJG-ABYGYWHVSA-N 0 0 517.601 4.676 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776502 553305891 /nfs/dbraw/zinc/30/58/91/553305891.db2.gz WROIRBPPPGRMJG-SVEHJYQDSA-N 0 0 517.601 4.676 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776528 553306110 /nfs/dbraw/zinc/30/61/10/553306110.db2.gz PJFHEOHSFCLHSC-YIXXDRMTSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776529 553306101 /nfs/dbraw/zinc/30/61/01/553306101.db2.gz PJFHEOHSFCLHSC-KCWPFWIISA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776530 553306089 /nfs/dbraw/zinc/30/60/89/553306089.db2.gz PJFHEOHSFCLHSC-WNCULLNHSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776531 553306086 /nfs/dbraw/zinc/30/60/86/553306086.db2.gz PJFHEOHSFCLHSC-HOFKKMOUSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776575 553306108 /nfs/dbraw/zinc/30/61/08/553306108.db2.gz PTDNCIZWMIYVNG-XRKRLSELSA-N 0 0 517.601 4.676 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776576 553306111 /nfs/dbraw/zinc/30/61/11/553306111.db2.gz PTDNCIZWMIYVNG-LMSSTIIKSA-N 0 0 517.601 4.676 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)NCc3cccs3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009776691 553306087 /nfs/dbraw/zinc/30/60/87/553306087.db2.gz JXQKNMKHVZCZCK-BWKNWUBXSA-N 0 0 510.612 4.583 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccs3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009776692 553306096 /nfs/dbraw/zinc/30/60/96/553306096.db2.gz JXQKNMKHVZCZCK-SQJMNOBHSA-N 0 0 510.612 4.583 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)NCc3cccs3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009776693 553306105 /nfs/dbraw/zinc/30/61/05/553306105.db2.gz JXQKNMKHVZCZCK-OFVILXPXSA-N 0 0 510.612 4.583 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccc(F)cc1Cl)[C@@H](c1ccccc1F)N(C)C2=O ZINC000009776832 553306300 /nfs/dbraw/zinc/30/63/00/553306300.db2.gz KGTSSBCPHTVWOI-DNQXCXABSA-N 0 0 500.929 4.862 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)NCc1ccc(F)cc1Cl)[C@H](c1ccccc1F)N(C)C2=O ZINC000009776833 553306318 /nfs/dbraw/zinc/30/63/18/553306318.db2.gz KGTSSBCPHTVWOI-RPWUZVMVSA-N 0 0 500.929 4.862 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccc(F)cc1Cl)[C@@H](c1ccccc1F)N(C)C2=O ZINC000009776834 553306269 /nfs/dbraw/zinc/30/62/69/553306269.db2.gz KGTSSBCPHTVWOI-BJKOFHAPSA-N 0 0 500.929 4.862 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cc(C)ccc3C)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776907 553306327 /nfs/dbraw/zinc/30/63/27/553306327.db2.gz SGFPCYPGUFNWBO-LOYHVIPDSA-N 0 0 525.649 4.506 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cc(C)ccc3C)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776908 553306302 /nfs/dbraw/zinc/30/63/02/553306302.db2.gz SGFPCYPGUFNWBO-XZWHSSHBSA-N 0 0 525.649 4.506 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cc(C)ccc3C)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009776910 553306294 /nfs/dbraw/zinc/30/62/94/553306294.db2.gz SGFPCYPGUFNWBO-IHLOFXLRSA-N 0 0 525.649 4.506 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cc(C)ccc3C)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009776911 553306291 /nfs/dbraw/zinc/30/62/91/553306291.db2.gz SGFPCYPGUFNWBO-KYJUHHDHSA-N 0 0 525.649 4.506 50 0 KJAARN CCCCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000009777277 553306772 /nfs/dbraw/zinc/30/67/72/553306772.db2.gz KLSLPNLWTHNIKR-ZKNIRDGJSA-N 0 0 528.093 4.767 50 0 biogenic KJAARN CCCCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000009777279 553306758 /nfs/dbraw/zinc/30/67/58/553306758.db2.gz KLSLPNLWTHNIKR-JBBRWPJWSA-N 0 0 528.093 4.767 50 0 biogenic KJAARN CCCCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000009777299 553306739 /nfs/dbraw/zinc/30/67/39/553306739.db2.gz MSRYOYGNICIWSC-ZKNIRDGJSA-N 0 0 525.715 4.527 50 0 biogenic KJAARN CCCCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000009777301 553306751 /nfs/dbraw/zinc/30/67/51/553306751.db2.gz MSRYOYGNICIWSC-JBBRWPJWSA-N 0 0 525.715 4.527 50 0 biogenic KJAARN CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N(C2CCC(C)CC2)[C@@H]4C(=O)NC2CCCCC2)cc1 ZINC000009777305 553306754 /nfs/dbraw/zinc/30/67/54/553306754.db2.gz ZLDDDMWKHWUQGQ-PDERUPOISA-N 0 0 533.713 4.927 50 0 biogenic KJAARN CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@H](C(=O)NC3CCCCC3)N(C3CCC(C)CC3)C(=O)[C@@H]24)cc1 ZINC000009777307 553306735 /nfs/dbraw/zinc/30/67/35/553306735.db2.gz ZLDDDMWKHWUQGQ-SFJMZDRMSA-N 0 0 533.713 4.927 50 0 biogenic KJAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)cc1 ZINC000009777613 553306776 /nfs/dbraw/zinc/30/67/76/553306776.db2.gz DYYWNCGMPHCEFB-UHFFFAOYSA-N 0 0 503.580 4.539 50 0 KJAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc32)cc1 ZINC000009777618 553306884 /nfs/dbraw/zinc/30/68/84/553306884.db2.gz LHYBNVZXOKGQBX-UHFFFAOYSA-N 0 0 517.607 4.582 50 0 KJAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)cc1 ZINC000009777649 553306861 /nfs/dbraw/zinc/30/68/61/553306861.db2.gz KCAASKWMDHNKAA-UHFFFAOYSA-N 0 0 519.623 4.828 50 0 KJAARN O=C(CSc1cn(CCNC(=O)c2ccc(F)cc2)c2ccccc12)N1CCN(c2ccccc2)CC1 ZINC000009777837 553306880 /nfs/dbraw/zinc/30/68/80/553306880.db2.gz IELAKXHAHQGQCM-UHFFFAOYSA-N 0 0 516.642 4.651 50 0 KJAARN COc1ccc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3F)c3ccccc23)c(OC)c1 ZINC000009778037 553306853 /nfs/dbraw/zinc/30/68/53/553306853.db2.gz FRPJVGVVAYEECW-UHFFFAOYSA-N 0 0 507.587 4.958 50 0 KJAARN O=C(CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)Nc1ccc2c(c1)OCO2 ZINC000009778208 553306889 /nfs/dbraw/zinc/30/68/89/553306889.db2.gz FDHKVTWNOGNGAH-UHFFFAOYSA-N 0 0 509.534 4.809 50 0 KJAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCc4ccccc43)c3ccccc32)cc1OC ZINC000009778368 553306863 /nfs/dbraw/zinc/30/68/63/553306863.db2.gz PWVXQAIXMZOWDL-UHFFFAOYSA-N 0 0 515.635 4.770 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009778589 553306921 /nfs/dbraw/zinc/30/69/21/553306921.db2.gz PTDNCIZWMIYVNG-PXJZQJOASA-N 0 0 517.601 4.676 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009778596 553306887 /nfs/dbraw/zinc/30/68/87/553306887.db2.gz PTDNCIZWMIYVNG-YTMVLYRLSA-N 0 0 517.601 4.676 50 0 KJAARN CCCCOc1ccc([C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)cc2OC)cc1 ZINC000009778599 553306899 /nfs/dbraw/zinc/30/68/99/553306899.db2.gz BYQFDCPTLAZYCX-FTJBHMTQSA-N 0 0 500.551 4.635 50 0 KJAARN CCCCOc1ccc([C@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)cc2OC)cc1 ZINC000009778604 553306903 /nfs/dbraw/zinc/30/69/03/553306903.db2.gz BYQFDCPTLAZYCX-UIOOFZCWSA-N 0 0 500.551 4.635 50 0 KJAARN CCCCOc1ccc([C@@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)cc2OC)cc1 ZINC000009778607 553306892 /nfs/dbraw/zinc/30/68/92/553306892.db2.gz BYQFDCPTLAZYCX-CLJLJLNGSA-N 0 0 500.551 4.635 50 0 KJAARN CCCCOc1ccc([C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)cc2OC)cc1 ZINC000009778609 553306934 /nfs/dbraw/zinc/30/69/34/553306934.db2.gz BYQFDCPTLAZYCX-IZZNHLLZSA-N 0 0 500.551 4.635 50 0 KJAARN CCOc1ccc([C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000009778785 553307175 /nfs/dbraw/zinc/30/71/75/553307175.db2.gz PLZDTEWQCUZXHD-PKTZIBPZSA-N 0 0 505.368 4.909 50 0 KJAARN CCOc1ccc([C@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000009778790 553307151 /nfs/dbraw/zinc/30/71/51/553307151.db2.gz PLZDTEWQCUZXHD-GOTSBHOMSA-N 0 0 505.368 4.909 50 0 KJAARN CCOc1ccc([C@@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000009778795 553307138 /nfs/dbraw/zinc/30/71/38/553307138.db2.gz PLZDTEWQCUZXHD-DHIUTWEWSA-N 0 0 505.368 4.909 50 0 KJAARN CCOc1ccc([C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1 ZINC000009778798 553307191 /nfs/dbraw/zinc/30/71/91/553307191.db2.gz PLZDTEWQCUZXHD-XZOQPEGZSA-N 0 0 505.368 4.909 50 0 KJAARN O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000009779294 553307395 /nfs/dbraw/zinc/30/73/95/553307395.db2.gz YMOHZAHKSGSEAT-ZDUSSCGKSA-N 0 0 502.192 4.682 50 0 KJAARN O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000009779302 553307413 /nfs/dbraw/zinc/30/74/13/553307413.db2.gz YMOHZAHKSGSEAT-CYBMUJFWSA-N 0 0 502.192 4.682 50 0 KJAARN COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(OC)c(OC)c2)N3)cc1OC ZINC000009780467 553307578 /nfs/dbraw/zinc/30/75/78/553307578.db2.gz DBVSNHDTSNTOPS-YCRPNKLZSA-N 0 0 506.481 4.830 50 0 KJAARN COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(OC)c(OC)c2)N3)cc1OC ZINC000009780471 553307539 /nfs/dbraw/zinc/30/75/39/553307539.db2.gz DBVSNHDTSNTOPS-QVKFZJNVSA-N 0 0 506.481 4.830 50 0 KJAARN COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(OC)c(OC)c2)N3)cc1OC ZINC000009780474 553307534 /nfs/dbraw/zinc/30/75/34/553307534.db2.gz DBVSNHDTSNTOPS-BTYIYWSLSA-N 0 0 506.481 4.830 50 0 KJAARN COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(OC)c(OC)c2)N3)cc1OC ZINC000009780477 553307536 /nfs/dbraw/zinc/30/75/36/553307536.db2.gz DBVSNHDTSNTOPS-VFNWGFHPSA-N 0 0 506.481 4.830 50 0 KJAARN CCN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009780719 553307588 /nfs/dbraw/zinc/30/75/88/553307588.db2.gz NSEDWHZEQABDRP-VSGBNLITSA-N 0 0 503.618 4.786 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009780722 553307522 /nfs/dbraw/zinc/30/75/22/553307522.db2.gz NSEDWHZEQABDRP-WUFINQPMSA-N 0 0 503.618 4.786 50 0 KJAARN COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1OC ZINC000009781151 553307797 /nfs/dbraw/zinc/30/77/97/553307797.db2.gz JKBMMXMISPAPHS-DEOSSOPVSA-N 0 0 514.611 4.910 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1OC ZINC000009781154 553307792 /nfs/dbraw/zinc/30/77/92/553307792.db2.gz JKBMMXMISPAPHS-XMMPIXPASA-N 0 0 514.611 4.910 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC[C@@H](C)C2 ZINC000009781599 553307898 /nfs/dbraw/zinc/30/78/98/553307898.db2.gz JRKJWPDRIXYPKN-KZNAEPCWSA-N 0 0 518.701 4.969 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC[C@@H](C)C2 ZINC000009781601 553307875 /nfs/dbraw/zinc/30/78/75/553307875.db2.gz JRKJWPDRIXYPKN-KURKYZTESA-N 0 0 518.701 4.969 50 0 KJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc5ccccc5oc4=O)cs3)cc2)C1 ZINC000009781739 553308209 /nfs/dbraw/zinc/30/82/09/553308209.db2.gz VIDOMFLPIPDZTQ-IRXDYDNUSA-N 0 0 523.636 4.835 50 0 KJAARN COc1cccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000009805443 553308561 /nfs/dbraw/zinc/30/85/61/553308561.db2.gz KTYUOYOMNMZBNW-UHFFFAOYSA-N 0 0 528.074 4.510 50 0 KJAARN O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009805663 553308635 /nfs/dbraw/zinc/30/86/35/553308635.db2.gz ORCHNSCGJICLCL-UHFFFAOYSA-N 0 0 508.456 4.538 50 0 KJAARN COC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000009809196 553308775 /nfs/dbraw/zinc/30/87/75/553308775.db2.gz VXROOIRPQQZKCP-WCTVFOPTSA-N 0 0 516.604 4.852 50 0 KJAARN O=C(NCCn1ncc2c1ncn(Cc1ccc(Cl)cc1)c2=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000009823726 553308671 /nfs/dbraw/zinc/30/86/71/553308671.db2.gz UBZWIAKRVVEPAC-UHFFFAOYSA-N 0 0 510.425 4.576 50 0 KJAARN CCOc1cc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc(OCC)c1OCC ZINC000009829226 553308981 /nfs/dbraw/zinc/30/89/81/553308981.db2.gz BNCIJHCVMHOLHR-UHFFFAOYSA-N 0 0 500.573 4.754 50 0 KJAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccc(Cl)cc32)cc1OC ZINC000009830026 553308961 /nfs/dbraw/zinc/30/89/61/553308961.db2.gz HCWHRKOHKYWFTD-UHFFFAOYSA-N 0 0 509.975 4.833 50 0 KJAARN O=S(=O)(c1nnn2c1nc(NCCc1ccccc1)c1ccccc12)c1ccc(Br)cc1 ZINC000009830029 553309024 /nfs/dbraw/zinc/30/90/24/553309024.db2.gz AFEOZHSPNRKXBS-UHFFFAOYSA-N 0 0 508.401 4.527 50 0 KJAARN CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccccc21 ZINC000009830030 553308997 /nfs/dbraw/zinc/30/89/97/553308997.db2.gz TZYDUQIEEVAXHA-UHFFFAOYSA-N 0 0 508.401 4.509 50 0 KJAARN O=S(=O)(c1nnn2c1nc(N1CCc3ccccc31)c1ccccc12)c1ccc(Br)cc1 ZINC000009830034 553308999 /nfs/dbraw/zinc/30/89/99/553308999.db2.gz LJQQCSZOKLNULO-UHFFFAOYSA-N 0 0 506.385 4.567 50 0 KJAARN Cc1ccc(CNc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)cc1 ZINC000009830036 553309012 /nfs/dbraw/zinc/30/90/12/553309012.db2.gz PQQCJGQBOKHXLV-UHFFFAOYSA-N 0 0 508.401 4.793 50 0 KJAARN CC(C)CN(CC(C)C)c1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccccc21 ZINC000009830038 553309015 /nfs/dbraw/zinc/30/90/15/553309015.db2.gz CUVYUHYINABVIL-UHFFFAOYSA-N 0 0 516.465 4.991 50 0 KJAARN COc1ccccc1Nc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccccc21 ZINC000009830039 553309019 /nfs/dbraw/zinc/30/90/19/553309019.db2.gz SXZGXQHHDPLPFE-UHFFFAOYSA-N 0 0 510.373 4.625 50 0 KJAARN COc1cccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)c1 ZINC000009830040 553308968 /nfs/dbraw/zinc/30/89/68/553308968.db2.gz NVQGIUPYKDAOPQ-UHFFFAOYSA-N 0 0 510.373 4.625 50 0 KJAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)cc1 ZINC000009830041 553309023 /nfs/dbraw/zinc/30/90/23/553309023.db2.gz DNSDDTVOTGTQMR-UHFFFAOYSA-N 0 0 510.373 4.625 50 0 KJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000009832528 553309801 /nfs/dbraw/zinc/30/98/01/553309801.db2.gz FYXQGGPUFJDNQP-UHFFFAOYSA-N 0 0 509.609 4.531 50 0 KJAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1c(F)cccc1F ZINC000009833475 553309942 /nfs/dbraw/zinc/30/99/42/553309942.db2.gz ILRMQDOFCTXEHT-UHFFFAOYSA-N 0 0 509.372 4.599 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009833792 553309879 /nfs/dbraw/zinc/30/98/79/553309879.db2.gz MRTAYUMCFVSCNX-UHFFFAOYSA-N 0 0 501.004 4.655 50 0 KJAARN CC(C)Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(CC(C)C)cc3)C[C@H]2C)cc1 ZINC000009834415 553309885 /nfs/dbraw/zinc/30/98/85/553309885.db2.gz YFHAAKUMHGXOAF-FGZHOGPDSA-N 0 0 506.734 4.556 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2Cc2ccco2)cc1 ZINC000009834637 553309864 /nfs/dbraw/zinc/30/98/64/553309864.db2.gz PKHJIJBUQMATES-UHFFFAOYSA-N 0 0 503.536 4.692 50 0 KJAARN COc1ccc(NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000009834668 553309931 /nfs/dbraw/zinc/30/99/31/553309931.db2.gz DHWFDARBLRYZMT-FTJBHMTQSA-N 0 0 501.583 4.601 50 0 KJAARN COc1ccc(NC(=O)[C@H](NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000009834671 553310128 /nfs/dbraw/zinc/31/01/28/553310128.db2.gz DHWFDARBLRYZMT-CLJLJLNGSA-N 0 0 501.583 4.601 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC000009834674 553310126 /nfs/dbraw/zinc/31/01/26/553310126.db2.gz DIWUBADAHCJUNK-UIOOFZCWSA-N 0 0 501.583 4.635 50 0 KJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCN(c3ccccc3OC)CC2)cc1 ZINC000009834751 553310125 /nfs/dbraw/zinc/31/01/25/553310125.db2.gz WJVBOJBZNQQPLZ-UHFFFAOYSA-N 0 0 503.624 4.720 50 0 KJAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000009834779 553310115 /nfs/dbraw/zinc/31/01/15/553310115.db2.gz BRZHVSSKPGOBLX-UHFFFAOYSA-N 0 0 501.652 4.961 50 0 KJAARN CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cc1c[nH]c2ccccc12 ZINC000009834984 553310342 /nfs/dbraw/zinc/31/03/42/553310342.db2.gz WJEDKBLWJGCZQK-SSEXGKCCSA-N 0 0 527.621 4.752 50 0 KJAARN Cc1ccc(-n2ncc(C(=O)Nc3ccccc3C(N)=O)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000009835382 553310519 /nfs/dbraw/zinc/31/05/19/553310519.db2.gz QZYWBKKYIYSJQE-UHFFFAOYSA-N 0 0 503.603 4.646 50 0 KJAARN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000009836200 553310746 /nfs/dbraw/zinc/31/07/46/553310746.db2.gz WJCDIESNINXMLG-HBTZZFSCSA-N 0 0 516.436 4.986 50 0 KJAARN CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn21)C(=O)NCc1ccco1 ZINC000009838628 553310904 /nfs/dbraw/zinc/31/09/04/553310904.db2.gz XEJKPDFPUCNLNR-QFIPXVFZSA-N 0 0 503.584 4.742 50 0 KJAARN CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn21)C(=O)NCc1ccco1 ZINC000009838630 553310916 /nfs/dbraw/zinc/31/09/16/553310916.db2.gz XEJKPDFPUCNLNR-JOCHJYFZSA-N 0 0 503.584 4.742 50 0 KJAARN COc1cc2nc(SCc3cc(=O)n4c(C)cccc4n3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009838671 553310901 /nfs/dbraw/zinc/31/09/01/553310901.db2.gz KGSMKHKICGITBQ-UHFFFAOYSA-N 0 0 510.579 4.570 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841548 553311094 /nfs/dbraw/zinc/31/10/94/553311094.db2.gz HZVQPWDRNHZCNM-ATIYNZHBSA-N 0 0 508.546 4.983 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841551 553311113 /nfs/dbraw/zinc/31/11/13/553311113.db2.gz HZVQPWDRNHZCNM-GJZUVCINSA-N 0 0 508.546 4.983 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841554 553311090 /nfs/dbraw/zinc/31/10/90/553311090.db2.gz HZVQPWDRNHZCNM-NVQXNPDNSA-N 0 0 508.546 4.983 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(OC)c3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841579 553311211 /nfs/dbraw/zinc/31/12/11/553311211.db2.gz ZBOBRNVHCQGWPC-YIXXDRMTSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(OC)c3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841581 553311241 /nfs/dbraw/zinc/31/12/41/553311241.db2.gz ZBOBRNVHCQGWPC-KCWPFWIISA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(OC)c3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841585 553311215 /nfs/dbraw/zinc/31/12/15/553311215.db2.gz ZBOBRNVHCQGWPC-WNCULLNHSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841588 553311224 /nfs/dbraw/zinc/31/12/24/553311224.db2.gz ZBOBRNVHCQGWPC-HOFKKMOUSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N(C)C3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841591 553311233 /nfs/dbraw/zinc/31/12/33/553311233.db2.gz UNFUVTCOGOUYBA-YIXXDRMTSA-N 0 0 510.631 4.996 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N(C)C3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841594 553311189 /nfs/dbraw/zinc/31/11/89/553311189.db2.gz UNFUVTCOGOUYBA-WNCULLNHSA-N 0 0 510.631 4.996 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N(C)C3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841597 553311209 /nfs/dbraw/zinc/31/12/09/553311209.db2.gz UNFUVTCOGOUYBA-KCWPFWIISA-N 0 0 510.631 4.996 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N(C)C3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841600 553311239 /nfs/dbraw/zinc/31/12/39/553311239.db2.gz UNFUVTCOGOUYBA-HOFKKMOUSA-N 0 0 510.631 4.996 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(F)cc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841652 553311177 /nfs/dbraw/zinc/31/11/77/553311177.db2.gz DGFRUAVLLRMZHL-YIXXDRMTSA-N 0 0 522.573 4.661 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(F)cc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841655 553311230 /nfs/dbraw/zinc/31/12/30/553311230.db2.gz DGFRUAVLLRMZHL-KCWPFWIISA-N 0 0 522.573 4.661 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccc(F)cc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841656 553311164 /nfs/dbraw/zinc/31/11/64/553311164.db2.gz DGFRUAVLLRMZHL-WNCULLNHSA-N 0 0 522.573 4.661 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009841659 553311186 /nfs/dbraw/zinc/31/11/86/553311186.db2.gz DGFRUAVLLRMZHL-HOFKKMOUSA-N 0 0 522.573 4.661 50 0 KJAARN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009845571 553311407 /nfs/dbraw/zinc/31/14/07/553311407.db2.gz AQMHAQZADRRKLA-UHFFFAOYSA-N 0 0 505.941 4.898 50 0 KJAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000009846009 553311442 /nfs/dbraw/zinc/31/14/42/553311442.db2.gz ZGPRJOKQINNURZ-UHFFFAOYSA-N 0 0 503.020 4.538 50 0 KJAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000009846010 553311413 /nfs/dbraw/zinc/31/14/13/553311413.db2.gz XMCZUHVFQGSZEV-UHFFFAOYSA-N 0 0 503.020 4.538 50 0 KJAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000009846011 553311439 /nfs/dbraw/zinc/31/14/39/553311439.db2.gz GWZVVEGKRNDVML-UHFFFAOYSA-N 0 0 503.020 4.538 50 0 KJAARN CCOc1ccccc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000009846019 553311410 /nfs/dbraw/zinc/31/14/10/553311410.db2.gz RIPWHZNIFNIXHM-UHFFFAOYSA-N 0 0 503.418 4.677 50 0 KJAARN CCOc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000009846020 553311430 /nfs/dbraw/zinc/31/14/30/553311430.db2.gz YQZNZBHOKNVSKR-UHFFFAOYSA-N 0 0 503.418 4.677 50 0 KJAARN COc1ccc(C)cc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000009846021 553311441 /nfs/dbraw/zinc/31/14/41/553311441.db2.gz HHPNVNOBFRMKMU-UHFFFAOYSA-N 0 0 503.418 4.596 50 0 KJAARN COC(=O)c1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000009846028 553311428 /nfs/dbraw/zinc/31/14/28/553311428.db2.gz WRGUMYYLASOWKH-UHFFFAOYSA-N 0 0 507.395 4.610 50 0 KJAARN CCOC(=O)c1c(NC(=S)NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)sc2c1CCC2 ZINC000009846246 553311600 /nfs/dbraw/zinc/31/16/00/553311600.db2.gz SJETXPZUXKPAGU-UHFFFAOYSA-N 0 0 506.646 4.736 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000009846516 553311809 /nfs/dbraw/zinc/31/18/09/553311809.db2.gz TVRIQXZZJXSRFX-RUZDIDTESA-N 0 0 531.609 4.820 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000009846517 553311821 /nfs/dbraw/zinc/31/18/21/553311821.db2.gz TVRIQXZZJXSRFX-VWLOTQADSA-N 0 0 531.609 4.820 50 0 KJAARN COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000009847039 553312019 /nfs/dbraw/zinc/31/20/19/553312019.db2.gz QFLKTTXSZIYMFS-UHFFFAOYSA-N 0 0 507.978 4.892 50 0 KJAARN COc1ccccc1CNc1nc(NCc2ccccc2OC)n(C(=O)COc2ccc(Cl)cc2)n1 ZINC000009847074 553312232 /nfs/dbraw/zinc/31/22/32/553312232.db2.gz YOALZTLVLNKVNF-UHFFFAOYSA-N 0 0 507.978 4.892 50 0 KJAARN CCC(=O)Nc1nnc(SCC(=O)Nc2nnc(SCc3cccc4ccccc43)s2)s1 ZINC000009850262 553312548 /nfs/dbraw/zinc/31/25/48/553312548.db2.gz IPGXEALCALLALK-UHFFFAOYSA-N 0 0 502.672 4.914 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000009850319 553312573 /nfs/dbraw/zinc/31/25/73/553312573.db2.gz SJWWVSXKKZEYJO-RUZDIDTESA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000009850320 553312633 /nfs/dbraw/zinc/31/26/33/553312633.db2.gz SJWWVSXKKZEYJO-VWLOTQADSA-N 0 0 515.566 4.547 50 0 KJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(NC(=O)COc4ccccc4)cc3)n2C)cc1 ZINC000009851585 553313175 /nfs/dbraw/zinc/31/31/75/553313175.db2.gz PRGRQJXEEVIREF-LJQANCHMSA-N 0 0 501.612 4.927 50 0 KJAARN CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)nn2)cc1 ZINC000009853073 553313203 /nfs/dbraw/zinc/31/32/03/553313203.db2.gz DAXJZCUREJHHPX-UHFFFAOYSA-N 0 0 501.914 4.572 50 0 KJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(Cl)cc1)cn2CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000009855038 553313202 /nfs/dbraw/zinc/31/32/02/553313202.db2.gz JZXAAEOYVGRWHX-UHFFFAOYSA-N 0 0 506.942 4.550 50 0 KJAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(CC)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1 ZINC000009855096 553313178 /nfs/dbraw/zinc/31/31/78/553313178.db2.gz ZVXFIUIXSRXNDG-UHFFFAOYSA-N 0 0 512.562 4.604 50 0 KJAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(F)c(F)c1)cc(C(=O)c1ccc(C)c(C)c1)c2=O ZINC000009855404 553313374 /nfs/dbraw/zinc/31/33/74/553313374.db2.gz JLDKBCUASCUESK-UHFFFAOYSA-N 0 0 506.505 4.783 50 0 KJAARN COc1cc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)Nc3ccc(F)c(F)c3)c2cc1OC ZINC000009855414 553313439 /nfs/dbraw/zinc/31/34/39/553313439.db2.gz FWQALIGSCGWMOO-UHFFFAOYSA-N 0 0 512.896 4.820 50 0 KJAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)c(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1C ZINC000009855431 553313409 /nfs/dbraw/zinc/31/34/09/553313409.db2.gz KHULZXRBMUTRNB-UHFFFAOYSA-N 0 0 504.489 4.537 50 0 KJAARN CCOc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3ccc(OCC)cc3c2=O)cc1 ZINC000009855966 553313435 /nfs/dbraw/zinc/31/34/35/553313435.db2.gz YUNAKDCUYAGBLV-UHFFFAOYSA-N 0 0 500.551 4.677 50 0 KJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000009855972 553313390 /nfs/dbraw/zinc/31/33/90/553313390.db2.gz PECYXQZPGKTGAH-UHFFFAOYSA-N 0 0 500.551 4.596 50 0 KJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000009855974 553313415 /nfs/dbraw/zinc/31/34/15/553313415.db2.gz FMZBCPASWHZPJW-UHFFFAOYSA-N 0 0 514.578 4.850 50 0 KJAARN CCOc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(OC)c3)c3ccc(OCC)cc3c2=O)cc1 ZINC000009855993 553313411 /nfs/dbraw/zinc/31/34/11/553313411.db2.gz IXFDWNAVRXNJKY-UHFFFAOYSA-N 0 0 500.551 4.677 50 0 KJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000009855999 553313437 /nfs/dbraw/zinc/31/34/37/553313437.db2.gz VQEOGAVPENDOHI-UHFFFAOYSA-N 0 0 500.551 4.596 50 0 KJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000009856001 553313396 /nfs/dbraw/zinc/31/33/96/553313396.db2.gz QVZXJRKIVZZYLW-UHFFFAOYSA-N 0 0 514.578 4.850 50 0 KJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1cc(OC)ccc1OC ZINC000009856006 553313443 /nfs/dbraw/zinc/31/34/43/553313443.db2.gz VYHZDYJWAFDENY-UHFFFAOYSA-N 0 0 500.551 4.596 50 0 KJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1cc(OC)ccc1OC ZINC000009856008 553313424 /nfs/dbraw/zinc/31/34/24/553313424.db2.gz DRNWAEIVNWXKRL-UHFFFAOYSA-N 0 0 514.578 4.850 50 0 KJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(OC)cc1OC ZINC000009856014 553313440 /nfs/dbraw/zinc/31/34/40/553313440.db2.gz MZBDGIPWMZWETE-UHFFFAOYSA-N 0 0 500.551 4.596 50 0 KJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(CC)cc1)cn2CC(=O)Nc1ccc(OC)cc1OC ZINC000009856016 553313430 /nfs/dbraw/zinc/31/34/30/553313430.db2.gz GWCHKMUQJPPSMZ-UHFFFAOYSA-N 0 0 514.578 4.850 50 0 KJAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccc(Cl)cc3c2=O)cc1 ZINC000009856117 553313552 /nfs/dbraw/zinc/31/35/52/553313552.db2.gz DYTSJFXAWLQWMX-UHFFFAOYSA-N 0 0 502.954 4.858 50 0 KJAARN Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1CCc1ccccc1 ZINC000009858254 553313816 /nfs/dbraw/zinc/31/38/16/553313816.db2.gz GSGRYNVZBUPLDX-UHFFFAOYSA-N 0 0 510.461 4.943 50 0 KJAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000009858483 553313755 /nfs/dbraw/zinc/31/37/55/553313755.db2.gz JDZRHDAYLJPPMW-UHFFFAOYSA-N 0 0 512.433 4.699 50 0 KJAARN Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1-c1ccc(F)cc1 ZINC000009858541 553313810 /nfs/dbraw/zinc/31/38/10/553313810.db2.gz ZYMDPEMRVNTMNX-UHFFFAOYSA-N 0 0 500.397 4.829 50 0 KJAARN CCCOc1ccc(S(=O)(=O)N(CCc2ccccc2)S(=O)(=O)c2ccc(OCCC)cc2)cc1 ZINC000009861063 553313985 /nfs/dbraw/zinc/31/39/85/553313985.db2.gz DWKBIXPWAMGATH-UHFFFAOYSA-N 0 0 517.669 4.887 50 0 KJAARN CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(I)c2)sc2c1CCCC2 ZINC000009892082 553314567 /nfs/dbraw/zinc/31/45/67/553314567.db2.gz DCGAWQRACOBBGI-UHFFFAOYSA-N 0 0 514.410 4.535 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(c3ccc(F)cc3)C2=S)cc1 ZINC000009892259 553314728 /nfs/dbraw/zinc/31/47/28/553314728.db2.gz LDEQAJNLSIFDNA-QFIPXVFZSA-N 0 0 509.534 4.677 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(c3ccc(F)cc3)C2=S)cc1 ZINC000009892260 553314758 /nfs/dbraw/zinc/31/47/58/553314758.db2.gz LDEQAJNLSIFDNA-JOCHJYFZSA-N 0 0 509.534 4.677 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(OCc3ccc(F)cc3)c2)c(OC)c1 ZINC000009892426 553314895 /nfs/dbraw/zinc/31/48/95/553314895.db2.gz BOSLLDVJTSYVSM-SANMLTNESA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(OCc3ccc(F)cc3)c2)c(OC)c1 ZINC000009892427 553314903 /nfs/dbraw/zinc/31/49/03/553314903.db2.gz BOSLLDVJTSYVSM-AREMUKBSSA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000009892447 553314920 /nfs/dbraw/zinc/31/49/20/553314920.db2.gz ZDQUAWWFDANBFI-SANMLTNESA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000009892448 553314911 /nfs/dbraw/zinc/31/49/11/553314911.db2.gz ZDQUAWWFDANBFI-AREMUKBSSA-N 0 0 515.545 4.941 50 0 KJAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(Br)c2)c(OC)cc1Cl ZINC000009905532 553315295 /nfs/dbraw/zinc/31/52/95/553315295.db2.gz AYWNSGHGFKSRSD-IBGZPJMESA-N 0 0 504.772 4.639 50 0 KJAARN COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(Br)c2)c(OC)cc1Cl ZINC000009905534 553315322 /nfs/dbraw/zinc/31/53/22/553315322.db2.gz AYWNSGHGFKSRSD-LJQANCHMSA-N 0 0 504.772 4.639 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccccc3F)cc2)c(OC)c1 ZINC000009906939 553315655 /nfs/dbraw/zinc/31/56/55/553315655.db2.gz QCQBFYDPMKSLDZ-SANMLTNESA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccccc3F)cc2)c(OC)c1 ZINC000009906942 553315687 /nfs/dbraw/zinc/31/56/87/553315687.db2.gz QCQBFYDPMKSLDZ-AREMUKBSSA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccc(F)cc3)cc2)c(OC)c1 ZINC000009906951 553315665 /nfs/dbraw/zinc/31/56/65/553315665.db2.gz HQVHHAHPWNSNLC-SANMLTNESA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)c(OC)c1 ZINC000009906953 553315674 /nfs/dbraw/zinc/31/56/74/553315674.db2.gz HQVHHAHPWNSNLC-AREMUKBSSA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccccc3F)cc2)c1 ZINC000009907037 553315650 /nfs/dbraw/zinc/31/56/50/553315650.db2.gz RKCYSBYGTRMNSV-SANMLTNESA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccccc3F)cc2)c1 ZINC000009907040 553315667 /nfs/dbraw/zinc/31/56/67/553315667.db2.gz RKCYSBYGTRMNSV-AREMUKBSSA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000009907043 553315685 /nfs/dbraw/zinc/31/56/85/553315685.db2.gz BVTRZOYTVXARMB-MHZLTWQESA-N 0 0 527.581 4.811 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000009907046 553315852 /nfs/dbraw/zinc/31/58/52/553315852.db2.gz BVTRZOYTVXARMB-HHHXNRCGSA-N 0 0 527.581 4.811 50 0 KJAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000009907149 553315865 /nfs/dbraw/zinc/31/58/65/553315865.db2.gz XRPRQXHPVRWFLL-SANMLTNESA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000009907152 553315856 /nfs/dbraw/zinc/31/58/56/553315856.db2.gz XRPRQXHPVRWFLL-AREMUKBSSA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3ccccc3C)n2)cc1OC ZINC000009907550 553316002 /nfs/dbraw/zinc/31/60/02/553316002.db2.gz QIOAQQPVQQVFAX-UHFFFAOYSA-N 0 0 517.586 4.534 50 0 KJAARN 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COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000009907874 553316328 /nfs/dbraw/zinc/31/63/28/553316328.db2.gz BOAARHVYWJGOJB-NTEUORMPSA-N 0 0 503.986 4.741 50 0 KJAARN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000009907889 553316312 /nfs/dbraw/zinc/31/63/12/553316312.db2.gz WCKDSUAOEYSCMG-UHFFFAOYSA-N 0 0 522.001 4.740 50 0 KJAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009907893 553316349 /nfs/dbraw/zinc/31/63/49/553316349.db2.gz SSJIVKCLMVVQLI-UHFFFAOYSA-N 0 0 512.393 4.995 50 0 KJAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000009907900 553316315 /nfs/dbraw/zinc/31/63/15/553316315.db2.gz PISNWDIANABAQI-UHFFFAOYSA-N 0 0 515.610 4.577 50 0 KJAARN CCCOc1ccc(C(=O)Nc2cc(C(=O)OCC)ccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000009907936 553316342 /nfs/dbraw/zinc/31/63/42/553316342.db2.gz YJWIUXUIGSBUBJ-UHFFFAOYSA-N 0 0 515.610 4.867 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000009907950 553316548 /nfs/dbraw/zinc/31/65/48/553316548.db2.gz NJSCQNCGHFGYCW-UHFFFAOYSA-N 0 0 506.002 4.660 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000009907954 553316559 /nfs/dbraw/zinc/31/65/59/553316559.db2.gz CSFHFSHYTCMHRG-UHFFFAOYSA-N 0 0 522.001 4.740 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000009907955 553316577 /nfs/dbraw/zinc/31/65/77/553316577.db2.gz YGUNIUCPKHLYQW-UHFFFAOYSA-N 0 0 522.001 4.740 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000009907974 553316550 /nfs/dbraw/zinc/31/65/50/553316550.db2.gz OQZIYFDRWFLABJ-UHFFFAOYSA-N 0 0 515.610 4.865 50 0 KJAARN CCCOc1cccc(C(=O)Nc2cc(C(=O)OCC)ccc2N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000009907976 553316555 /nfs/dbraw/zinc/31/65/55/553316555.db2.gz OHBIHUJEUJQUCW-UHFFFAOYSA-N 0 0 515.610 4.867 50 0 KJAARN CCOc1ccc(NC(=O)CNc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(OC)cc3)n2)cc1 ZINC000009908062 553316688 /nfs/dbraw/zinc/31/66/88/553316688.db2.gz AEMLRZLFAKQFFV-UHFFFAOYSA-N 0 0 515.574 4.825 50 0 KJAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N[C@@H](C)C(=O)Nc3ccccc3F)n2)cc1 ZINC000009908135 553316715 /nfs/dbraw/zinc/31/67/15/553316715.db2.gz DANVXLPROQTAMW-INIZCTEOSA-N 0 0 503.538 4.954 50 0 KJAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N[C@H](C)C(=O)Nc3ccccc3F)n2)cc1 ZINC000009908136 553316726 /nfs/dbraw/zinc/31/67/26/553316726.db2.gz DANVXLPROQTAMW-MRXNPFEDSA-N 0 0 503.538 4.954 50 0 KJAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N[C@@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000009908137 553316705 /nfs/dbraw/zinc/31/67/05/553316705.db2.gz LPKVAICVSNJNRZ-INIZCTEOSA-N 0 0 503.538 4.954 50 0 KJAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N[C@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000009908138 553316713 /nfs/dbraw/zinc/31/67/13/553316713.db2.gz LPKVAICVSNJNRZ-MRXNPFEDSA-N 0 0 503.538 4.954 50 0 KJAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000009933657 553317173 /nfs/dbraw/zinc/31/71/73/553317173.db2.gz OTROUYLLYDKOKX-UHFFFAOYSA-N 0 0 529.637 4.751 50 0 KJAARN CCCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000009933665 553317118 /nfs/dbraw/zinc/31/71/18/553317118.db2.gz FYDOWQSAJPXUFT-UHFFFAOYSA-N 0 0 515.610 4.867 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000009933679 553317114 /nfs/dbraw/zinc/31/71/14/553317114.db2.gz OFCLTRACWFZCMX-UHFFFAOYSA-N 0 0 515.610 4.865 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009933975 553317490 /nfs/dbraw/zinc/31/74/90/553317490.db2.gz DSCLNPJOTWWEHI-AREMUKBSSA-N 0 0 517.582 4.859 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009933976 553317532 /nfs/dbraw/zinc/31/75/32/553317532.db2.gz DSCLNPJOTWWEHI-SANMLTNESA-N 0 0 517.582 4.859 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009933977 553317498 /nfs/dbraw/zinc/31/74/98/553317498.db2.gz WLTMRRYMWMXESC-RUZDIDTESA-N 0 0 505.546 4.989 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009933978 553317525 /nfs/dbraw/zinc/31/75/25/553317525.db2.gz WLTMRRYMWMXESC-VWLOTQADSA-N 0 0 505.546 4.989 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009934017 553317535 /nfs/dbraw/zinc/31/75/35/553317535.db2.gz HNSPVFCJLGAFGY-AREMUKBSSA-N 0 0 517.582 4.859 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009934018 553317508 /nfs/dbraw/zinc/31/75/08/553317508.db2.gz HNSPVFCJLGAFGY-SANMLTNESA-N 0 0 517.582 4.859 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2cccs2)cc1 ZINC000009934111 553317537 /nfs/dbraw/zinc/31/75/37/553317537.db2.gz NTOBDOZOQQKCHU-OAQYLSRUSA-N 0 0 511.987 4.944 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2cccs2)cc1 ZINC000009934112 553317513 /nfs/dbraw/zinc/31/75/13/553317513.db2.gz NTOBDOZOQQKCHU-NRFANRHFSA-N 0 0 511.987 4.944 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009934127 553317526 /nfs/dbraw/zinc/31/75/26/553317526.db2.gz PHFRPXRJCHDMMT-RUZDIDTESA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000009934128 553317518 /nfs/dbraw/zinc/31/75/18/553317518.db2.gz PHFRPXRJCHDMMT-VWLOTQADSA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934133 553317521 /nfs/dbraw/zinc/31/75/21/553317521.db2.gz MDGPPHYVZAETOL-XMMPIXPASA-N 0 0 503.530 4.677 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934134 553317539 /nfs/dbraw/zinc/31/75/39/553317539.db2.gz MDGPPHYVZAETOL-DEOSSOPVSA-N 0 0 503.530 4.677 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934147 553317528 /nfs/dbraw/zinc/31/75/28/553317528.db2.gz MVORYFGGBIJFHI-RUZDIDTESA-N 0 0 505.546 4.989 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934148 553317541 /nfs/dbraw/zinc/31/75/41/553317541.db2.gz MVORYFGGBIJFHI-VWLOTQADSA-N 0 0 505.546 4.989 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934151 553317494 /nfs/dbraw/zinc/31/74/94/553317494.db2.gz OYYDNJQECBANPJ-RUZDIDTESA-N 0 0 505.546 4.989 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934152 553317506 /nfs/dbraw/zinc/31/75/06/553317506.db2.gz OYYDNJQECBANPJ-VWLOTQADSA-N 0 0 505.546 4.989 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)cc2)c1 ZINC000009934181 553317714 /nfs/dbraw/zinc/31/77/14/553317714.db2.gz NQIQFYPZLLVAJH-RUZDIDTESA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)cc2)c1 ZINC000009934182 553317701 /nfs/dbraw/zinc/31/77/01/553317701.db2.gz NQIQFYPZLLVAJH-VWLOTQADSA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(OC)cc2)c1 ZINC000009934185 553317700 /nfs/dbraw/zinc/31/77/00/553317700.db2.gz QAQBIORZEIPMSY-RUZDIDTESA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(OC)cc2)c1 ZINC000009934186 553317689 /nfs/dbraw/zinc/31/76/89/553317689.db2.gz QAQBIORZEIPMSY-VWLOTQADSA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(F)cc2)c1 ZINC000009934215 553317717 /nfs/dbraw/zinc/31/77/17/553317717.db2.gz PKNIJHFEQWAGBS-XMMPIXPASA-N 0 0 503.530 4.677 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(F)cc2)c1 ZINC000009934216 553317713 /nfs/dbraw/zinc/31/77/13/553317713.db2.gz PKNIJHFEQWAGBS-DEOSSOPVSA-N 0 0 503.530 4.677 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2cccs2)c1 ZINC000009934227 553317671 /nfs/dbraw/zinc/31/76/71/553317671.db2.gz ZSFIQWDBPQQDOB-OAQYLSRUSA-N 0 0 511.987 4.944 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2cccs2)c1 ZINC000009934228 553317703 /nfs/dbraw/zinc/31/77/03/553317703.db2.gz ZSFIQWDBPQQDOB-NRFANRHFSA-N 0 0 511.987 4.944 50 0 KJAARN COc1ccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000009934280 553317683 /nfs/dbraw/zinc/31/76/83/553317683.db2.gz YUSLZCPWXBNKJO-XMMPIXPASA-N 0 0 523.973 4.732 50 0 KJAARN COc1ccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000009934281 553317707 /nfs/dbraw/zinc/31/77/07/553317707.db2.gz YUSLZCPWXBNKJO-DEOSSOPVSA-N 0 0 523.973 4.732 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934290 553317669 /nfs/dbraw/zinc/31/76/69/553317669.db2.gz ILXZKWJOUONHQG-JOCHJYFZSA-N 0 0 509.921 4.632 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934291 553317692 /nfs/dbraw/zinc/31/76/92/553317692.db2.gz ILXZKWJOUONHQG-QFIPXVFZSA-N 0 0 509.921 4.632 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 ZINC000009934399 553317857 /nfs/dbraw/zinc/31/78/57/553317857.db2.gz ONNJHEIZZAWBGH-MHZLTWQESA-N 0 0 527.581 4.811 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 ZINC000009934400 553317872 /nfs/dbraw/zinc/31/78/72/553317872.db2.gz ONNJHEIZZAWBGH-HHHXNRCGSA-N 0 0 527.581 4.811 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(OC)c2OCc2ccccc2)c1 ZINC000009934423 553317879 /nfs/dbraw/zinc/31/78/79/553317879.db2.gz CCMJDOHIBTUXGB-SANMLTNESA-N 0 0 527.581 4.811 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(OC)c2OCc2ccccc2)c1 ZINC000009934424 553318010 /nfs/dbraw/zinc/31/80/10/553318010.db2.gz CCMJDOHIBTUXGB-AREMUKBSSA-N 0 0 527.581 4.811 50 0 KJAARN CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000009934672 553318001 /nfs/dbraw/zinc/31/80/01/553318001.db2.gz SYHQEISFHAANOO-UHFFFAOYSA-N 0 0 523.058 4.828 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000009934732 553318171 /nfs/dbraw/zinc/31/81/71/553318171.db2.gz JVEXGNNPIDBKSG-SANMLTNESA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000009934733 553318161 /nfs/dbraw/zinc/31/81/61/553318161.db2.gz JVEXGNNPIDBKSG-AREMUKBSSA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(OC)c2OCc2ccccc2)c(OC)c1 ZINC000009934754 553318216 /nfs/dbraw/zinc/31/82/16/553318216.db2.gz BXYFYLGSERXRBL-SANMLTNESA-N 0 0 527.581 4.811 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(OC)c2OCc2ccccc2)c(OC)c1 ZINC000009934755 553318222 /nfs/dbraw/zinc/31/82/22/553318222.db2.gz BXYFYLGSERXRBL-AREMUKBSSA-N 0 0 527.581 4.811 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009935353 553318374 /nfs/dbraw/zinc/31/83/74/553318374.db2.gz HYPCEHUOMUMROC-AUPLCKGQSA-N 0 0 510.631 4.710 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3C[C@H](C)C[C@@H](C)C3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009935357 553318359 /nfs/dbraw/zinc/31/83/59/553318359.db2.gz HYPCEHUOMUMROC-SEHJVGNSSA-N 0 0 510.631 4.710 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936426 553318633 /nfs/dbraw/zinc/31/86/33/553318633.db2.gz GETRGHYKZKQICC-CLJLJLNGSA-N 0 0 506.624 4.661 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000009936435 553318602 /nfs/dbraw/zinc/31/86/02/553318602.db2.gz GETRGHYKZKQICC-FTJBHMTQSA-N 0 0 506.624 4.661 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(SC)cc1 ZINC000009936441 553318617 /nfs/dbraw/zinc/31/86/17/553318617.db2.gz GETRGHYKZKQICC-IZZNHLLZSA-N 0 0 506.624 4.661 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(SC)cc1 ZINC000009936447 553318653 /nfs/dbraw/zinc/31/86/53/553318653.db2.gz GETRGHYKZKQICC-UIOOFZCWSA-N 0 0 506.624 4.661 50 0 KJAARN COc1ccc(OC)c(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(SC)cc2)c1 ZINC000009936619 553318583 /nfs/dbraw/zinc/31/85/83/553318583.db2.gz MTPIOPAUDUOSGI-CLJLJLNGSA-N 0 0 522.623 4.992 50 0 KJAARN COc1ccc(OC)c(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(SC)cc2)c1 ZINC000009936621 553318615 /nfs/dbraw/zinc/31/86/15/553318615.db2.gz MTPIOPAUDUOSGI-FTJBHMTQSA-N 0 0 522.623 4.992 50 0 KJAARN COc1ccc(OC)c(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(SC)cc2)c1 ZINC000009936624 553318642 /nfs/dbraw/zinc/31/86/42/553318642.db2.gz MTPIOPAUDUOSGI-IZZNHLLZSA-N 0 0 522.623 4.992 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000009936646 553318748 /nfs/dbraw/zinc/31/87/48/553318748.db2.gz MOVMVVNFAZGUAX-JWQCQUIFSA-N 0 0 506.580 4.704 50 0 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O=C(CCCn1c(=O)c2sc3ccccc3c2nc1SCC(=O)NC1CCCC1)NC1CCCCC1 ZINC000009938651 553319110 /nfs/dbraw/zinc/31/91/10/553319110.db2.gz QEAOMFDYVSHWQU-UHFFFAOYSA-N 0 0 526.728 4.991 50 0 KJAARN COc1cccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2Cc2ccccc2OC)c1 ZINC000009939131 553319107 /nfs/dbraw/zinc/31/91/07/553319107.db2.gz NLBGPCJWBRADHR-UHFFFAOYSA-N 0 0 501.564 4.939 50 0 KJAARN Cc1cc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3CC(C)C)ccc1Br ZINC000009939409 553319066 /nfs/dbraw/zinc/31/90/66/553319066.db2.gz DAKSNAMVPIQYPD-UHFFFAOYSA-N 0 0 502.438 4.794 50 0 KJAARN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(O)n2)cc1Cl ZINC000009939683 553319368 /nfs/dbraw/zinc/31/93/68/553319368.db2.gz DIEKFIVANLNNFK-UHFFFAOYSA-N 0 0 508.021 4.531 50 0 KJAARN COc1cccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(-c3cc(Cl)ccc3C)c2=O)c1 ZINC000009939805 553319353 /nfs/dbraw/zinc/31/93/53/553319353.db2.gz BFWBCIFOEXJWAC-UHFFFAOYSA-N 0 0 505.983 4.976 50 0 KJAARN COc1ccccc1NC(=O)Cn1c2c3ccccc3sc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000009939882 553319366 /nfs/dbraw/zinc/31/93/66/553319366.db2.gz YITXHSAWZFBGRF-UHFFFAOYSA-N 0 0 509.946 4.807 50 0 KJAARN COc1ccccc1NC(=O)Cn1c2c3ccccc3sc2c(=O)n(-c2cc(Cl)ccc2C)c1=O ZINC000009939908 553319360 /nfs/dbraw/zinc/31/93/60/553319360.db2.gz GRXNYGYDUFNXBS-UHFFFAOYSA-N 0 0 505.983 4.976 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(-c3cc(Cl)ccc3C)c2=O)cc1 ZINC000009940016 553319336 /nfs/dbraw/zinc/31/93/36/553319336.db2.gz LCHFKYFRLOCRRI-UHFFFAOYSA-N 0 0 505.983 4.976 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(-c3ccc(F)c(Cl)c3)c2=O)cc1 ZINC000009940062 553319362 /nfs/dbraw/zinc/31/93/62/553319362.db2.gz ZGRQJELNNRHQLY-UHFFFAOYSA-N 0 0 509.946 4.807 50 0 KJAARN CCOc1ccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000009940111 553319354 /nfs/dbraw/zinc/31/93/54/553319354.db2.gz AFUXBCXXLPUIOT-UHFFFAOYSA-N 0 0 503.555 4.603 50 0 KJAARN COc1ccc(CCn2c(SCC(=O)Nc3cccc(C(C)=O)c3)nc3ccsc3c2=O)cc1OC ZINC000009940214 553319504 /nfs/dbraw/zinc/31/95/04/553319504.db2.gz FIJUSNARKPAOCZ-UHFFFAOYSA-N 0 0 523.636 4.651 50 0 KJAARN COc1ccc(CCn2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc3ccsc3c2=O)cc1OC ZINC000009940229 553319497 /nfs/dbraw/zinc/31/94/97/553319497.db2.gz WAQOUWNXUILEBL-UHFFFAOYSA-N 0 0 523.636 4.651 50 0 KJAARN COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccccc4)ncc3S2(=O)=O)c1 ZINC000009940295 553319445 /nfs/dbraw/zinc/31/94/45/553319445.db2.gz USGIKWKZNDDWLW-UHFFFAOYSA-N 0 0 518.620 4.592 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(Cc3ccccc3)c2=O)cc1Cl ZINC000009940361 553319483 /nfs/dbraw/zinc/31/94/83/553319483.db2.gz IMKKFPWGYKFXQW-UHFFFAOYSA-N 0 0 505.983 4.727 50 0 KJAARN COc1ccc(CCn2c(=O)c3sccc3nc2SCC(=O)Nc2cc(F)ccc2F)cc1OC ZINC000009940463 553319442 /nfs/dbraw/zinc/31/94/42/553319442.db2.gz JKBHBISDWORVAP-UHFFFAOYSA-N 0 0 517.579 4.727 50 0 KJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)Nc3ccc(Br)cc3)c2n1 ZINC000009940662 553319466 /nfs/dbraw/zinc/31/94/66/553319466.db2.gz ROSFWKGSQUFQLY-UHFFFAOYSA-N 0 0 510.775 4.991 50 0 KJAARN 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CCCn1c2cc(OC)ccc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000011665595 553339905 /nfs/dbraw/zinc/33/99/05/553339905.db2.gz LCCYHTYWHZTHOU-BYYHNAKLSA-N 0 0 521.664 4.610 50 0 KJAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000011666893 553339916 /nfs/dbraw/zinc/33/99/16/553339916.db2.gz HIPSXDDTBSTRCU-UHFFFAOYSA-N 0 0 514.028 4.890 50 0 KJAARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000011667128 553339919 /nfs/dbraw/zinc/33/99/19/553339919.db2.gz SOCRYXHPCZWADH-NRFANRHFSA-N 0 0 504.004 4.686 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)c3cc(Br)ccc3Cl)s2)cc1 ZINC000011667523 553340188 /nfs/dbraw/zinc/34/01/88/553340188.db2.gz OGCRDAKBGYOXOX-UHFFFAOYSA-N 0 0 513.826 4.946 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3C(F)(F)F)s2)cc1 ZINC000011667547 553340181 /nfs/dbraw/zinc/34/01/81/553340181.db2.gz CZZMEDJYCFOLRQ-UHFFFAOYSA-N 0 0 510.519 4.717 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)c1=NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000011690743 1067137759 /nfs/dbraw/zinc/13/77/59/1067137759.db2.gz MVVUCYSGHSHJGA-UHFFFAOYSA-N 0 0 514.626 4.829 50 0 KJAARN CCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000011691018 1067138658 /nfs/dbraw/zinc/13/86/58/1067138658.db2.gz FVHHFMRGZSZSGD-UHFFFAOYSA-N 0 0 500.599 4.665 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000011691057 1067138664 /nfs/dbraw/zinc/13/86/64/1067138664.db2.gz XKRDNGNCJISVQV-UHFFFAOYSA-N 0 0 500.599 4.521 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000011691077 1067138538 /nfs/dbraw/zinc/13/85/38/1067138538.db2.gz CASWQVZYFIMEDO-UHFFFAOYSA-N 0 0 520.589 4.890 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccc(Cl)cc1 ZINC000011691180 1067138601 /nfs/dbraw/zinc/13/86/01/1067138601.db2.gz UPTLREFLUAMIDJ-UHFFFAOYSA-N 0 0 504.974 4.726 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1c(F)cccc1Cl ZINC000011691183 1067138531 /nfs/dbraw/zinc/13/85/31/1067138531.db2.gz BENFPEFFABWSBB-UHFFFAOYSA-N 0 0 522.964 4.865 50 0 KJAARN CCCCOc1ccc(C(=O)N=c2c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CCCC)cc1 ZINC000011691348 1067138478 /nfs/dbraw/zinc/13/84/78/1067138478.db2.gz YGOYXCCAAJEKDT-UHFFFAOYSA-N 0 0 516.598 4.546 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cc2ccccc2o1 ZINC000011691358 1067138594 /nfs/dbraw/zinc/13/85/94/1067138594.db2.gz WDBWFVFYHZRRPO-UHFFFAOYSA-N 0 0 510.550 4.818 50 0 KJAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2OC)cc1 ZINC000011726292 553340595 /nfs/dbraw/zinc/34/05/95/553340595.db2.gz HJADNKKPSSUCGX-DEOSSOPVSA-N 0 0 505.567 4.708 50 0 KJAARN CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2OC)cc1 ZINC000011726293 553340833 /nfs/dbraw/zinc/34/08/33/553340833.db2.gz HJADNKKPSSUCGX-XMMPIXPASA-N 0 0 505.567 4.708 50 0 KJAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(OC)c2)cc1 ZINC000011726294 553340808 /nfs/dbraw/zinc/34/08/08/553340808.db2.gz PZALSYVZGISCFT-VWLOTQADSA-N 0 0 505.567 4.708 50 0 KJAARN C[C@@H]1Cc2nc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726554 553340842 /nfs/dbraw/zinc/34/08/42/553340842.db2.gz ALYYOCMEABSUMB-HXUWFJFHSA-N 0 0 505.709 4.902 50 0 KJAARN C[C@H]1Cc2nc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726555 553340846 /nfs/dbraw/zinc/34/08/46/553340846.db2.gz ALYYOCMEABSUMB-FQEVSTJZSA-N 0 0 505.709 4.902 50 0 KJAARN C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(Br)cc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726576 553340863 /nfs/dbraw/zinc/34/08/63/553340863.db2.gz BFPGTSOSGWQYET-CQSZACIVSA-N 0 0 502.459 4.822 50 0 KJAARN C[C@H]1Cc2nc(SCC(=O)Nc3ccc(Br)cc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726577 553340855 /nfs/dbraw/zinc/34/08/55/553340855.db2.gz BFPGTSOSGWQYET-AWEZNQCLSA-N 0 0 502.459 4.822 50 0 KJAARN C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726600 553340840 /nfs/dbraw/zinc/34/08/40/553340840.db2.gz PHKRXBRQPGRGSN-CQSZACIVSA-N 0 0 507.559 4.958 50 0 KJAARN C[C@H]1Cc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726601 553340862 /nfs/dbraw/zinc/34/08/62/553340862.db2.gz PHKRXBRQPGRGSN-AWEZNQCLSA-N 0 0 507.559 4.958 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)n1CCc1ccccc1)S[C@H](C)C2 ZINC000011726656 553340852 /nfs/dbraw/zinc/34/08/52/553340852.db2.gz HMZJULAYFOHCAE-OAHLLOKOSA-N 0 0 502.061 4.916 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 ZINC000011726657 553340932 /nfs/dbraw/zinc/34/09/32/553340932.db2.gz HMZJULAYFOHCAE-HNNXBMFYSA-N 0 0 502.061 4.916 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)S[C@H](C)C3)s1 ZINC000011726668 553341011 /nfs/dbraw/zinc/34/10/11/553341011.db2.gz IWAGCVJNVUUQDX-CYBMUJFWSA-N 0 0 505.716 4.580 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)S[C@@H](C)C3)s1 ZINC000011726669 553340999 /nfs/dbraw/zinc/34/09/99/553340999.db2.gz IWAGCVJNVUUQDX-ZDUSSCGKSA-N 0 0 505.716 4.580 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 ZINC000011757730 553340981 /nfs/dbraw/zinc/34/09/81/553340981.db2.gz KHFZLUBVQLNSDF-UHFFFAOYSA-N 0 0 511.591 4.625 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)c(Cl)c2)cc1 ZINC000011757746 553340996 /nfs/dbraw/zinc/34/09/96/553340996.db2.gz JDPAJJVLQVBCKE-UHFFFAOYSA-N 0 0 500.473 4.769 50 0 KJAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)COc1ccc(Cl)cc1Cl ZINC000011757893 553340928 /nfs/dbraw/zinc/34/09/28/553340928.db2.gz VEPMEBUZEIPICV-UHFFFAOYSA-N 0 0 518.378 4.948 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2NC(=O)c1ccccc1I ZINC000011757902 553341190 /nfs/dbraw/zinc/34/11/90/553341190.db2.gz MHULDLADRNHMTD-UHFFFAOYSA-N 0 0 559.385 4.789 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000011757903 553341163 /nfs/dbraw/zinc/34/11/63/553341163.db2.gz GNYUAQSROZEICW-FMIVXFBMSA-N 0 0 549.605 4.610 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1ccc(OCC)c(OCC)c1 ZINC000011757910 553341175 /nfs/dbraw/zinc/34/11/75/553341175.db2.gz CWFCMGZIDRQCPK-UHFFFAOYSA-N 0 0 525.558 4.813 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1ccccc1Br ZINC000011757913 553341159 /nfs/dbraw/zinc/34/11/59/553341159.db2.gz GFISFXKJFYQMRA-UHFFFAOYSA-N 0 0 516.348 4.778 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1cccc(Br)c1 ZINC000011757914 553341183 /nfs/dbraw/zinc/34/11/83/553341183.db2.gz FARDLCUORJKHLI-UHFFFAOYSA-N 0 0 516.348 4.778 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1ccc(Br)cc1 ZINC000011757915 553341161 /nfs/dbraw/zinc/34/11/61/553341161.db2.gz MUMFHCNULXJZFH-UHFFFAOYSA-N 0 0 516.348 4.778 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000011757930 553341168 /nfs/dbraw/zinc/34/11/68/553341168.db2.gz RVZBGRMOLSAUTH-UHFFFAOYSA-N 0 0 543.985 4.555 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000011757945 553341326 /nfs/dbraw/zinc/34/13/26/553341326.db2.gz CTUIFZNPXQWCQH-WUXMJOGZSA-N 0 0 539.997 4.946 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000011757946 553341347 /nfs/dbraw/zinc/34/13/47/553341347.db2.gz PRLHSSAQOGLWOG-ONNFQVAWSA-N 0 0 523.954 4.658 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000011757947 553341335 /nfs/dbraw/zinc/34/13/35/553341335.db2.gz UGXNTYUHMALGOC-IZZDOVSWSA-N 0 0 570.023 4.955 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)COc1ccc(Cl)cc1 ZINC000011757948 553341296 /nfs/dbraw/zinc/34/12/96/553341296.db2.gz JCPDMAIJYYFOQY-UHFFFAOYSA-N 0 0 518.378 4.948 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000011757951 553341370 /nfs/dbraw/zinc/34/13/70/553341370.db2.gz HYCIKBUPLJUIOL-UHFFFAOYSA-N 0 0 589.095 4.560 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011757952 553341350 /nfs/dbraw/zinc/34/13/50/553341350.db2.gz SLRUKCKIEWPMRS-UHFFFAOYSA-N 0 0 601.106 4.704 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)c1ccc(Br)o1 ZINC000011757953 553341315 /nfs/dbraw/zinc/34/13/15/553341315.db2.gz RCFSVKKFOGCCBA-UHFFFAOYSA-N 0 0 522.764 4.885 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1ccc(OC)cc1OC ZINC000011757958 553341291 /nfs/dbraw/zinc/34/12/91/553341291.db2.gz QEGUTJNEVOHURE-UHFFFAOYSA-N 0 0 547.511 4.912 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1ccc(OC)c(OC)c1 ZINC000011757959 553341344 /nfs/dbraw/zinc/34/13/44/553341344.db2.gz PFOZMDJLFWNKDL-UHFFFAOYSA-N 0 0 547.511 4.912 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1cccc(OC)c1OC ZINC000011757960 553341308 /nfs/dbraw/zinc/34/13/08/553341308.db2.gz VQLPFCPXSJCKOL-UHFFFAOYSA-N 0 0 547.511 4.912 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1cc(OC)cc(OC)c1 ZINC000011757961 553341333 /nfs/dbraw/zinc/34/13/33/553341333.db2.gz GWXAGKAFMPWRSJ-UHFFFAOYSA-N 0 0 547.511 4.912 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1ccc2c(c1)OCO2 ZINC000011757962 553341509 /nfs/dbraw/zinc/34/15/09/553341509.db2.gz LTYZDNRARCYCIK-UHFFFAOYSA-N 0 0 531.468 4.624 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)Cc1ccc(OC)cc1 ZINC000011757976 553341525 /nfs/dbraw/zinc/34/15/25/553341525.db2.gz VHVANHHORYODOW-UHFFFAOYSA-N 0 0 531.512 4.833 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)Cc1ccc(F)cc1 ZINC000011757978 553341499 /nfs/dbraw/zinc/34/14/99/553341499.db2.gz DAJKGWYFMKRHOG-UHFFFAOYSA-N 0 0 519.476 4.963 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccc(OCC)c(OCC)c1 ZINC000011757982 553341495 /nfs/dbraw/zinc/34/14/95/553341495.db2.gz VRJHMCSKIYGHLM-UHFFFAOYSA-N 0 0 537.594 4.682 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccccc1Br ZINC000011757984 553341502 /nfs/dbraw/zinc/34/15/02/553341502.db2.gz NTRMOYKVMOHPOU-UHFFFAOYSA-N 0 0 528.384 4.647 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1cccc(Br)c1 ZINC000011757985 553341528 /nfs/dbraw/zinc/34/15/28/553341528.db2.gz PYDVHLXXQDTPHH-UHFFFAOYSA-N 0 0 528.384 4.647 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccc(Br)cc1 ZINC000011757986 553341513 /nfs/dbraw/zinc/34/15/13/553341513.db2.gz QUAOJUFPPZCXQR-UHFFFAOYSA-N 0 0 528.384 4.647 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)COc1ccc(Cl)cc1Cl ZINC000011757996 553341740 /nfs/dbraw/zinc/34/17/40/553341740.db2.gz CPNDVGOEGJLCKK-UHFFFAOYSA-N 0 0 548.404 4.957 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)COc1ccc2ccccc2c1 ZINC000011757998 553341784 /nfs/dbraw/zinc/34/17/84/553341784.db2.gz GIKULZOHSZKORV-UHFFFAOYSA-N 0 0 529.574 4.803 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3c[nH]c4ccccc43)n1CCOC)CCC2 ZINC000011758033 553341737 /nfs/dbraw/zinc/34/17/37/553341737.db2.gz CGSYBSPUSJMGTE-UHFFFAOYSA-N 0 0 525.656 4.531 50 0 KJAARN COc1ccc(OC)c(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2c[nH]c3ccccc32)c1 ZINC000011758038 553341777 /nfs/dbraw/zinc/34/17/77/553341777.db2.gz NILXIWBWQKBMBN-UHFFFAOYSA-N 0 0 529.578 4.892 50 0 KJAARN COc1ccc(OC)c(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2-c2c[nH]c3ccccc32)c1 ZINC000011758039 553341767 /nfs/dbraw/zinc/34/17/67/553341767.db2.gz JADBJWDPYZEMDF-UHFFFAOYSA-N 0 0 543.605 4.935 50 0 KJAARN Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1-c1cccc(C(F)(F)F)c1 ZINC000011758346 553342212 /nfs/dbraw/zinc/34/22/12/553342212.db2.gz KGLRSAYPXFWIGD-UHFFFAOYSA-N 0 0 529.544 4.717 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000011758347 553342164 /nfs/dbraw/zinc/34/21/64/553342164.db2.gz BAYZWMGTTFOFLQ-UHFFFAOYSA-N 0 0 529.544 4.733 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2-c2ccccc2)cc1 ZINC000011758350 553342221 /nfs/dbraw/zinc/34/22/21/553342221.db2.gz XUPRKIRBJNNYSY-UHFFFAOYSA-N 0 0 545.646 4.600 50 0 KJAARN Cc1cccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2CCc2ccccc2)c1 ZINC000011758359 553342216 /nfs/dbraw/zinc/34/22/16/553342216.db2.gz AXJVXDRDAIEUGH-UHFFFAOYSA-N 0 0 515.664 4.985 50 0 KJAARN CCOc1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2-c2ccc(OC)cc2)cc1 ZINC000011758374 553342213 /nfs/dbraw/zinc/34/22/13/553342213.db2.gz FTAHJUMRKJRISE-UHFFFAOYSA-N 0 0 547.662 4.830 50 0 KJAARN O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000011758378 553342194 /nfs/dbraw/zinc/34/21/94/553342194.db2.gz GOEMZOWJQZURLB-UHFFFAOYSA-N 0 0 533.601 4.815 50 0 KJAARN O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000011758382 553342230 /nfs/dbraw/zinc/34/22/30/553342230.db2.gz QMLUNPJTZXXOGA-UHFFFAOYSA-N 0 0 545.568 4.712 50 0 KJAARN O=C(Nc1ccc(Cl)cc1)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011758400 553342418 /nfs/dbraw/zinc/34/24/18/553342418.db2.gz CLNNIZQVWLWPOM-UHFFFAOYSA-N 0 0 539.997 4.612 50 0 KJAARN O=C(COc1ccc(-c2csc3ccccc23)cc1CN1CCOCC1)NC[C@@H]1COc2ccccc2O1 ZINC000011783648 553342439 /nfs/dbraw/zinc/34/24/39/553342439.db2.gz RJGOGJNGYDWNFL-HSZRJFAPSA-N 0 0 530.646 4.736 50 0 KJAARN O=C(COc1ccc(-c2csc3ccccc23)cc1CN1CCOCC1)NC[C@H]1COc2ccccc2O1 ZINC000011783649 553342420 /nfs/dbraw/zinc/34/24/20/553342420.db2.gz RJGOGJNGYDWNFL-QHCPKHFHSA-N 0 0 530.646 4.736 50 0 KJAARN Cc1cn2cc(CNC(=O)c3ccc(-c4csc5ccccc45)nc3N(C)C[C@@H]3COCCO3)nc2s1 ZINC000011784699 553342751 /nfs/dbraw/zinc/34/27/51/553342751.db2.gz OSRIJOYYLFTOKR-LJQANCHMSA-N 0 0 533.679 4.763 50 0 KJAARN Cc1cn2cc(CNC(=O)c3ccc(-c4csc5ccccc45)nc3N(C)C[C@H]3COCCO3)nc2s1 ZINC000011784700 553342586 /nfs/dbraw/zinc/34/25/86/553342586.db2.gz OSRIJOYYLFTOKR-IBGZPJMESA-N 0 0 533.679 4.763 50 0 KJAARN COc1cc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1O[C@@H]1CCOC1 ZINC000011785373 1066491724 /nfs/dbraw/zinc/49/17/24/1066491724.db2.gz CTROORQVSZLPHP-OAQYLSRUSA-N 0 0 538.544 4.548 50 0 KJAARN COc1cc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1O[C@H]1CCOC1 ZINC000011785374 1066491713 /nfs/dbraw/zinc/49/17/13/1066491713.db2.gz CTROORQVSZLPHP-NRFANRHFSA-N 0 0 538.544 4.548 50 0 KJAARN Cc1ccccc1CSc1nnc(CCNC(=O)Cc2ccc3c(c2)OCO3)n1-c1ccc(F)cc1 ZINC000011785396 1066491545 /nfs/dbraw/zinc/49/15/45/1066491545.db2.gz LCULXVZAFDJZEL-UHFFFAOYSA-N 0 0 504.587 4.637 50 0 KJAARN COc1cc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(N3CCOCC3)cc2)ccc1OC1Cc2ccccc2C1 ZINC000011785759 1066491693 /nfs/dbraw/zinc/49/16/93/1066491693.db2.gz CJWDLZGLOZVIHP-LJAQVGFWSA-N 0 0 542.676 4.899 50 0 KJAARN COc1cc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N3CCOCC3)cc2)ccc1OC1Cc2ccccc2C1 ZINC000011785760 1066491389 /nfs/dbraw/zinc/49/13/89/1066491389.db2.gz CJWDLZGLOZVIHP-GDLZYMKVSA-N 0 0 542.676 4.899 50 0 KJAARN COc1ccc(CN2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)c(OC)c1 ZINC000011785885 553342699 /nfs/dbraw/zinc/34/26/99/553342699.db2.gz LCEJZLXQINWYAH-UHFFFAOYSA-N 0 0 539.554 4.841 50 0 KJAARN CC1(C)C[C@@H](C(=O)N2CCC(Oc3ccc(CN4CCN(c5ccccc5F)CC4)cc3)CC2)CCO1 ZINC000011786128 553342834 /nfs/dbraw/zinc/34/28/34/553342834.db2.gz GVYMGGCWFUUYJN-DEOSSOPVSA-N 0 0 509.666 4.723 50 0 KJAARN CC1(C)C[C@H](C(=O)N2CCC(Oc3ccc(CN4CCN(c5ccccc5F)CC4)cc3)CC2)CCO1 ZINC000011786129 553342869 /nfs/dbraw/zinc/34/28/69/553342869.db2.gz GVYMGGCWFUUYJN-XMMPIXPASA-N 0 0 509.666 4.723 50 0 KJAARN O=C1c2cccc(N3CCN(Cc4ccc5c(c4)OCCO5)CC3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000011786279 553342806 /nfs/dbraw/zinc/34/28/06/553342806.db2.gz IQKSWEOWWXFRPI-UHFFFAOYSA-N 0 0 537.538 4.595 50 0 KJAARN CCOc1ccccc1CN1C[C@H](Sc2ccc(OC)cc2)C[C@H]1C(=O)NCc1cn2ccccc2n1 ZINC000011786334 553342841 /nfs/dbraw/zinc/34/28/41/553342841.db2.gz ZULJUKBSEWDBFS-FTJBHMTQSA-N 0 0 516.667 4.793 50 0 KJAARN COc1cc(CC(=O)N2CCOc3c(cc(-c4ccc(C(F)(F)F)cn4)cc3OC)C2)cc(OC)c1OC ZINC000011786497 1066491667 /nfs/dbraw/zinc/49/16/67/1066491667.db2.gz VJQHHQDLBNADGD-UHFFFAOYSA-N 0 0 532.515 4.766 50 0 KJAARN COc1cccc(-n2c(CNC(=O)c3ccc(-n4cccn4)cc3)nnc2SCCc2ccccc2)c1 ZINC000011786767 553342830 /nfs/dbraw/zinc/34/28/30/553342830.db2.gz FWRCBWDHVDQVAW-UHFFFAOYSA-N 0 0 510.623 4.726 50 0 KJAARN COc1cccc(CN2C(=O)c3cccc(N4CCN(C(=O)/C=C/c5ccccc5Cl)CC4)c3C2=O)c1OC ZINC000011787632 1066492158 /nfs/dbraw/zinc/49/21/58/1066492158.db2.gz BFEIIZUGYIOIEW-BUHFOSPRSA-N 0 0 546.023 4.515 50 0 KJAARN O=C(c1ccc(-n2ccnc2)cc1)N(Cc1ccc(OC2Cc3ccccc3C2)cc1)[C@H]1CCCCNC1=O ZINC000011787872 1066492115 /nfs/dbraw/zinc/49/21/15/1066492115.db2.gz VXZXOVIYYASPTJ-PMERELPUSA-N 0 0 520.633 4.730 50 0 KJAARN COc1cc(CC(=O)N2CCOc3c(cc(-c4nc5ccccc5s4)cc3OC)C2)cc(OC)c1OC ZINC000011788566 1066492138 /nfs/dbraw/zinc/49/21/38/1066492138.db2.gz KJWGELKHGPLOQI-UHFFFAOYSA-N 0 0 520.607 4.961 50 0 KJAARN COc1cc(CN(Cc2cccnc2)S(=O)(=O)c2cccc(Cl)c2C)ccc1O[C@@H]1CCOC1 ZINC000011789030 1066492365 /nfs/dbraw/zinc/49/23/65/1066492365.db2.gz DOEPTKHFWBMSRV-OAQYLSRUSA-N 0 0 503.020 4.611 50 0 KJAARN COc1cc(CN(Cc2cccnc2)S(=O)(=O)c2cccc(Cl)c2C)ccc1O[C@H]1CCOC1 ZINC000011789031 1066492219 /nfs/dbraw/zinc/49/22/19/1066492219.db2.gz DOEPTKHFWBMSRV-NRFANRHFSA-N 0 0 503.020 4.611 50 0 KJAARN O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc2c(c1)OCO2 ZINC000011789385 553343077 /nfs/dbraw/zinc/34/30/77/553343077.db2.gz GWVNSEWIDQMSDR-QPPBQGQZSA-N 0 0 518.614 4.525 50 0 KJAARN O=C1c2cccc(N3CCN(Cc4c[nH]nc4-c4ccc(F)cc4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000011789783 1066492368 /nfs/dbraw/zinc/49/23/68/1066492368.db2.gz QSIJHGVITKAXKQ-UHFFFAOYSA-N 0 0 530.003 4.988 50 0 KJAARN COC(C)(C)CN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N(C)[C@@H](C)c4cc(-c5ccccc5)n[nH]4)C3)c2C1=O ZINC000011789973 553343104 /nfs/dbraw/zinc/34/31/04/553343104.db2.gz CNACAMIEHQLFKY-RBBKRZOGSA-N 0 0 543.668 4.534 50 0 KJAARN COC(C)(C)CN1C(=O)c2cccc(N3CCC[C@H](C(=O)N(C)[C@@H](C)c4cc(-c5ccccc5)n[nH]4)C3)c2C1=O ZINC000011789974 553343095 /nfs/dbraw/zinc/34/30/95/553343095.db2.gz CNACAMIEHQLFKY-UNMCSNQZSA-N 0 0 543.668 4.534 50 0 KJAARN O=C([C@H](c1ccccc1)C1CCCC1)N1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 ZINC000011790211 553343101 /nfs/dbraw/zinc/34/31/01/553343101.db2.gz DAPHGLUPMSESIE-HHHXNRCGSA-N 0 0 508.622 4.500 50 0 KJAARN O=C([C@@H](c1ccccc1)C1CCCC1)N1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 ZINC000011790212 553343088 /nfs/dbraw/zinc/34/30/88/553343088.db2.gz DAPHGLUPMSESIE-MHZLTWQESA-N 0 0 508.622 4.500 50 0 KJAARN Cc1ccnc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)N(Cc3ccc(Cl)cc3)C2)n1 ZINC000011790355 1066492326 /nfs/dbraw/zinc/49/23/26/1066492326.db2.gz HRBFQTJJZDLKJD-RDGATRHJSA-N 0 0 526.081 4.662 50 0 KJAARN COc1ccc(/C=C/C(=O)NCc2nnc(SC[C@@H]3CCCO3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000011790734 553343245 /nfs/dbraw/zinc/34/32/45/553343245.db2.gz RTDNUHPEJHNEQI-ZRFOIIEFSA-N 0 0 518.561 4.895 50 0 KJAARN COc1ccc(/C=C/C(=O)NCc2nnc(SC[C@H]3CCCO3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000011790735 553343315 /nfs/dbraw/zinc/34/33/15/553343315.db2.gz RTDNUHPEJHNEQI-VZOQVYJPSA-N 0 0 518.561 4.895 50 0 KJAARN O=C(NCc1cc2ccccc2s1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 ZINC000011790807 553343240 /nfs/dbraw/zinc/34/32/40/553343240.db2.gz BHUCRLAXMAQVLI-OAQYLSRUSA-N 0 0 510.619 4.625 50 0 KJAARN O=C(NCc1cc2ccccc2s1)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)C1 ZINC000011790808 553343262 /nfs/dbraw/zinc/34/32/62/553343262.db2.gz BHUCRLAXMAQVLI-NRFANRHFSA-N 0 0 510.619 4.625 50 0 KJAARN CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2nccs2)C3=O)C1 ZINC000011791209 553343308 /nfs/dbraw/zinc/34/33/08/553343308.db2.gz DVYBKLFIKRJXOH-JOCHJYFZSA-N 0 0 516.667 4.985 50 0 KJAARN CCCCN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2nccs2)C3=O)C1 ZINC000011791210 553343312 /nfs/dbraw/zinc/34/33/12/553343312.db2.gz DVYBKLFIKRJXOH-QFIPXVFZSA-N 0 0 516.667 4.985 50 0 KJAARN COc1cc(CN2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)cc(OC)c1 ZINC000011791502 553343418 /nfs/dbraw/zinc/34/34/18/553343418.db2.gz PBPTUUNSAGQIOE-UHFFFAOYSA-N 0 0 539.554 4.841 50 0 KJAARN COCCN(Cc1cc2ccc(Cl)cc2nc1N1CCC[C@@H](CO)C1)C(=O)c1ccc(-n2cccn2)cc1 ZINC000011814072 1066488906 /nfs/dbraw/zinc/48/89/06/1066488906.db2.gz PGOGVSOYHVJTSS-OAQYLSRUSA-N 0 0 534.060 4.571 50 0 KJAARN COCCN(Cc1cc2ccc(Cl)cc2nc1N1CCC[C@H](CO)C1)C(=O)c1ccc(-n2cccn2)cc1 ZINC000011814073 1066492305 /nfs/dbraw/zinc/49/23/05/1066492305.db2.gz PGOGVSOYHVJTSS-NRFANRHFSA-N 0 0 534.060 4.571 50 0 KJAARN CC(C)(CO)NC(=O)COc1ccc(-c2csc3ccccc23)cc1CN1CCN(c2ccccn2)CC1 ZINC000011839291 553343464 /nfs/dbraw/zinc/34/34/64/553343464.db2.gz JIIXNEQBHLLHLU-UHFFFAOYSA-N 0 0 530.694 4.551 50 0 KJAARN COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)C2 ZINC000011839441 1066492339 /nfs/dbraw/zinc/49/23/39/1066492339.db2.gz ICGJATPBGJQUAV-NRFANRHFSA-N 0 0 513.619 4.709 50 0 KJAARN COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)C2 ZINC000011839443 1066492176 /nfs/dbraw/zinc/49/21/76/1066492176.db2.gz ICGJATPBGJQUAV-OAQYLSRUSA-N 0 0 513.619 4.709 50 0 KJAARN COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2F)n1C ZINC000011841763 553343790 /nfs/dbraw/zinc/34/37/90/553343790.db2.gz PTLLKVKWBZTIOR-NRFANRHFSA-N 0 0 506.603 4.978 50 0 KJAARN COc1cccc(OC)c1C(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2F)n1C ZINC000011841766 553343792 /nfs/dbraw/zinc/34/37/92/553343792.db2.gz PTLLKVKWBZTIOR-OAQYLSRUSA-N 0 0 506.603 4.978 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccccc2)n1-c1ccc(Br)cc1)Nc1ccc(F)cc1 ZINC000011852197 553344099 /nfs/dbraw/zinc/34/40/99/553344099.db2.gz MCBIVFHGXREWRV-UHFFFAOYSA-N 0 0 540.418 4.830 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2ccc(Br)cc2)cc1 ZINC000011852198 553344122 /nfs/dbraw/zinc/34/41/22/553344122.db2.gz UETICWVDJDFWOJ-UHFFFAOYSA-N 0 0 594.491 4.867 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2ccc(Br)cc2)s1 ZINC000011852201 553344135 /nfs/dbraw/zinc/34/41/35/553344135.db2.gz IFKVAQSBYZJLFI-UHFFFAOYSA-N 0 0 590.554 4.654 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2cccc(C(F)(F)F)c2)s1 ZINC000011852207 553344150 /nfs/dbraw/zinc/34/41/50/553344150.db2.gz AJMXBHDUWMMXPE-UHFFFAOYSA-N 0 0 579.655 4.910 50 0 KJAARN Cc1cccc(-n2c(CNC(=O)c3cccc(F)c3)nnc2SCC(=O)Nc2nc3ccccc3s2)c1 ZINC000011852210 553344155 /nfs/dbraw/zinc/34/41/55/553344155.db2.gz SCVVYCNZQMGMDT-UHFFFAOYSA-N 0 0 532.626 4.985 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2-c2ccc(Br)cc2)s1 ZINC000011852213 553344094 /nfs/dbraw/zinc/34/40/94/553344094.db2.gz JWKLUKSPPLLDQF-UHFFFAOYSA-N 0 0 608.544 4.793 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1cccc(C(F)(F)F)c1)Nc1nccs1 ZINC000011852217 553344347 /nfs/dbraw/zinc/34/43/47/553344347.db2.gz WVCWJESXTVHFBG-UHFFFAOYSA-N 0 0 536.536 4.543 50 0 KJAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccc(Br)cc1 ZINC000011852220 553344350 /nfs/dbraw/zinc/34/43/50/553344350.db2.gz YTFDTSYGULTUSW-UHFFFAOYSA-N 0 0 570.444 4.838 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2-c2ccc(Br)cc2)s1 ZINC000011852222 553344273 /nfs/dbraw/zinc/34/42/73/553344273.db2.gz GXVUQGLDFRONPB-UHFFFAOYSA-N 0 0 620.580 4.663 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1)Nc1nccs1 ZINC000011852239 553344306 /nfs/dbraw/zinc/34/43/06/553344306.db2.gz HGFHOWVWHYCOCE-UHFFFAOYSA-N 0 0 519.439 4.691 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)n2-c2ccccc2)cc1 ZINC000011852243 553344267 /nfs/dbraw/zinc/34/42/67/553344267.db2.gz NNEKOLOXIBQBFC-UHFFFAOYSA-N 0 0 568.030 4.897 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)n1-c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000011852245 553344419 /nfs/dbraw/zinc/34/44/19/553344419.db2.gz IEPXWQKXBSCPNR-UHFFFAOYSA-N 0 0 531.947 4.999 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)n2-c2ccc(F)cc2)s1 ZINC000011852246 553344461 /nfs/dbraw/zinc/34/44/61/553344461.db2.gz VSXKQHHKRDAIID-UHFFFAOYSA-N 0 0 582.083 4.823 50 0 KJAARN CCCCOc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(C)c2)cc1 ZINC000011852267 553344430 /nfs/dbraw/zinc/34/44/30/553344430.db2.gz CHAGLCFZINFOCA-UHFFFAOYSA-N 0 0 536.683 4.872 50 0 KJAARN CCCCOc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc1 ZINC000011852274 553344620 /nfs/dbraw/zinc/34/46/20/553344620.db2.gz KEMJVLWOKMRLHP-UHFFFAOYSA-N 0 0 540.646 4.703 50 0 KJAARN CCCCOc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2OC)cc1 ZINC000011852277 553344629 /nfs/dbraw/zinc/34/46/29/553344629.db2.gz HZISIIZNWHSQHA-UHFFFAOYSA-N 0 0 552.682 4.572 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2-c2ccc(Br)cc2)s1 ZINC000011852293 553344676 /nfs/dbraw/zinc/34/46/76/553344676.db2.gz MVPCYBKBIPJZQZ-UHFFFAOYSA-N 0 0 596.583 4.716 50 0 KJAARN CCOc1ccc(-n2c(CNC(=O)c3ccccc3)nnc2SCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000011852473 553345014 /nfs/dbraw/zinc/34/50/14/553345014.db2.gz LUVIIGYOQWRRRR-UHFFFAOYSA-N 0 0 544.662 4.937 50 0 KJAARN CCOc1ccc(-n2c(CNC(=O)c3ccccc3OC)nnc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000011852476 553344998 /nfs/dbraw/zinc/34/49/98/553344998.db2.gz VKMUSWGBQJZBOO-UHFFFAOYSA-N 0 0 531.638 4.644 50 0 KJAARN COc1ccc(OC)c(-n2c(CNC(=O)c3c(F)cccc3Cl)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000011852477 553345145 /nfs/dbraw/zinc/34/51/45/553345145.db2.gz YXOBPKXWMBJYMS-UHFFFAOYSA-N 0 0 582.057 4.688 50 0 KJAARN CCOc1ccc(-n2c(CNC(=O)c3cccc4ccccc43)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000011852479 553345119 /nfs/dbraw/zinc/34/51/19/553345119.db2.gz LYQJMWUWDOHYGD-UHFFFAOYSA-N 0 0 544.662 4.937 50 0 KJAARN CCOc1ccc(-n2c(CNC(=O)c3cccc(OC)c3)nnc2SCC(=O)N2CCCc3ccccc32)cc1 ZINC000011852486 553345088 /nfs/dbraw/zinc/34/50/88/553345088.db2.gz QSXABSOCZAIYCU-UHFFFAOYSA-N 0 0 557.676 4.676 50 0 KJAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2-c2cc(C)ccc2C)s1 ZINC000011852493 553345149 /nfs/dbraw/zinc/34/51/49/553345149.db2.gz SKLLQXDJWJGSGG-UHFFFAOYSA-N 0 0 561.615 4.724 50 0 KJAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(Oc4ccccc4)cc2)CSC3)cc1 ZINC000011852513 553345313 /nfs/dbraw/zinc/34/53/13/553345313.db2.gz OAXNTQSTGUPLHB-UHFFFAOYSA-N 0 0 520.636 4.914 50 0 KJAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000011852720 553345459 /nfs/dbraw/zinc/34/54/59/553345459.db2.gz GAFVCOATSLBUBM-UHFFFAOYSA-N 0 0 522.677 4.854 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000011852754 553345666 /nfs/dbraw/zinc/34/56/66/553345666.db2.gz BBHNQZWXTDWNNP-UHFFFAOYSA-N 0 0 524.620 4.972 50 0 KJAARN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000011852788 553345938 /nfs/dbraw/zinc/34/59/38/553345938.db2.gz UXRADXZEFQWOEM-UHFFFAOYSA-N 0 0 522.677 4.875 50 0 KJAARN CSc1nc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)N5C[C@@H](C)O[C@@H](C)C5)cc4)sc3c2s1 ZINC000011852817 553345907 /nfs/dbraw/zinc/34/59/07/553345907.db2.gz VNYCPSQHEHPGMZ-BETUJISGSA-N 0 0 534.710 4.678 50 0 KJAARN CSc1nc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)N5C[C@H](C)O[C@@H](C)C5)cc4)sc3c2s1 ZINC000011852818 553345869 /nfs/dbraw/zinc/34/58/69/553345869.db2.gz VNYCPSQHEHPGMZ-STQMWFEESA-N 0 0 534.710 4.678 50 0 KJAARN CSc1nc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)N5C[C@@H](C)O[C@H](C)C5)cc4)sc3c2s1 ZINC000011852819 553345879 /nfs/dbraw/zinc/34/58/79/553345879.db2.gz VNYCPSQHEHPGMZ-CHWSQXEVSA-N 0 0 534.710 4.678 50 0 KJAARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000011852854 553345927 /nfs/dbraw/zinc/34/59/27/553345927.db2.gz NXODOMUGGSLXML-ZQHSETAFSA-N 0 0 513.644 4.881 50 0 KJAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)cc2)CC1 ZINC000011852941 553346059 /nfs/dbraw/zinc/34/60/59/553346059.db2.gz ILWDWXOSXRRBSS-UHFFFAOYSA-N 0 0 564.689 4.987 50 0 KJAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C(C)C)cc4)cs3)cc2)CC1 ZINC000011852958 553346215 /nfs/dbraw/zinc/34/62/15/553346215.db2.gz MSMPSHUSOOSYLA-UHFFFAOYSA-N 0 0 542.683 4.649 50 0 KJAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)cc2)CC1 ZINC000011852974 553346382 /nfs/dbraw/zinc/34/63/82/553346382.db2.gz QDHUDPYZAWBFTK-UHFFFAOYSA-N 0 0 550.662 4.678 50 0 KJAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)cc2)CC1 ZINC000011852977 553346392 /nfs/dbraw/zinc/34/63/92/553346392.db2.gz OELVVWKJAYWHOW-UHFFFAOYSA-N 0 0 550.662 4.678 50 0 KJAARN O=S(=O)(c1ccc(Cl)cc1)C(Br)(Br)S(=O)(=O)c1ccc(Cl)cc1 ZINC000011853073 553346429 /nfs/dbraw/zinc/34/64/29/553346429.db2.gz RMBZZLCNUYBFIJ-UHFFFAOYSA-N 0 0 523.051 4.642 50 0 KJAARN Cc1ccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 ZINC000011855471 553346401 /nfs/dbraw/zinc/34/64/01/553346401.db2.gz UMRBXBXTMKVHEN-UHFFFAOYSA-N 0 0 511.607 4.909 50 0 KJAARN CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000011865687 553346744 /nfs/dbraw/zinc/34/67/44/553346744.db2.gz WEPGZCMPOCNILJ-OAQYLSRUSA-N 0 0 504.004 4.686 50 0 KJAARN CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000011865688 553346729 /nfs/dbraw/zinc/34/67/29/553346729.db2.gz WEPGZCMPOCNILJ-NRFANRHFSA-N 0 0 504.004 4.686 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c(c2)oc(=O)c2c3CCCC2)c2ccccc2)cc1 ZINC000011865709 553346774 /nfs/dbraw/zinc/34/67/74/553346774.db2.gz KFAVFFAOPVFRPH-AREMUKBSSA-N 0 0 503.576 4.605 50 0 KJAARN COC(=O)c1ccc(Oc2coc3cc(OC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)ccc3c2=O)cc1 ZINC000011865733 553346722 /nfs/dbraw/zinc/34/67/22/553346722.db2.gz GKBINEDJONDXSH-FQEVSTJZSA-N 0 0 509.511 4.677 50 0 biogenic KJAARN COC(=O)c1ccc(Oc2coc3cc(OC(=O)CCNC(=O)OCc4ccccc4)ccc3c2=O)cc1 ZINC000011865734 553346762 /nfs/dbraw/zinc/34/67/62/553346762.db2.gz ISDCTESHKHHXMD-UHFFFAOYSA-N 0 0 517.490 4.594 50 0 KJAARN CCCc1cc(=O)oc2cc(OCC(=O)OCc3ccccc3)cc(OCC(=O)OCc3ccccc3)c12 ZINC000011866571 553346979 /nfs/dbraw/zinc/34/69/79/553346979.db2.gz CPQJFFQVASBEIK-UHFFFAOYSA-N 0 0 516.546 4.990 50 0 KJAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)ccc12 ZINC000011866693 553346998 /nfs/dbraw/zinc/34/69/98/553346998.db2.gz HJGYYERCARLSCH-UHFFFAOYSA-N 0 0 526.655 4.945 50 0 KJAARN CC(C)(C)OC(=O)NCC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000011866719 553346990 /nfs/dbraw/zinc/34/69/90/553346990.db2.gz HRJGUOSMMVQUJW-UHFFFAOYSA-N 0 0 521.444 4.680 50 0 KJAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)Oc3ccc4c(c3)oc(=O)cc4C(F)(F)F)CC2)cc1 ZINC000011866734 553346984 /nfs/dbraw/zinc/34/69/84/553346984.db2.gz WLOJMBXIJODYLF-UHFFFAOYSA-N 0 0 523.529 4.811 50 0 KJAARN CCCc1c(C)c2ccc(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)cc2oc1=O ZINC000011866759 553346985 /nfs/dbraw/zinc/34/69/85/553346985.db2.gz RYFBTZBYSMKTEU-SANMLTNESA-N 0 0 519.619 4.858 50 0 KJAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011867185 553347886 /nfs/dbraw/zinc/34/78/86/553347886.db2.gz GBZYBALMYRKYFJ-XJFCNFDWSA-N 0 0 540.701 4.653 50 0 KJAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011867186 553347941 /nfs/dbraw/zinc/34/79/41/553347941.db2.gz GBZYBALMYRKYFJ-WBBHLRKXSA-N 0 0 540.701 4.653 50 0 KJAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011867187 553347876 /nfs/dbraw/zinc/34/78/76/553347876.db2.gz GBZYBALMYRKYFJ-DLLPINGYSA-N 0 0 540.701 4.653 50 0 KJAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011867188 553347922 /nfs/dbraw/zinc/34/79/22/553347922.db2.gz GBZYBALMYRKYFJ-QXNWPYRLSA-N 0 0 540.701 4.653 50 0 KJAARN COc1cc(CN(C(=O)CN2C[C@@H](c3ccccc3)CC2=O)C2CC2)ccc1OCc1ccc(F)cc1 ZINC000011881743 1066492198 /nfs/dbraw/zinc/49/21/98/1066492198.db2.gz UMILLKZJRLEKSS-DEOSSOPVSA-N 0 0 502.586 4.920 50 0 KJAARN COc1cc(CN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)C2CC2)ccc1OCc1ccc(F)cc1 ZINC000011881744 1066492234 /nfs/dbraw/zinc/49/22/34/1066492234.db2.gz UMILLKZJRLEKSS-XMMPIXPASA-N 0 0 502.586 4.920 50 0 KJAARN COc1ccc(CN(Cc2cc3cccc(C)c3nc2N2CCC[C@@H](O)C2)C(=O)c2cncs2)cc1 ZINC000011882242 553348535 /nfs/dbraw/zinc/34/85/35/553348535.db2.gz RSNWEOJZPSAHJQ-HSZRJFAPSA-N 0 0 502.640 4.812 50 0 KJAARN COc1ccc(CN(Cc2cc3cccc(C)c3nc2N2CCC[C@H](O)C2)C(=O)c2cncs2)cc1 ZINC000011882243 553348557 /nfs/dbraw/zinc/34/85/57/553348557.db2.gz RSNWEOJZPSAHJQ-QHCPKHFHSA-N 0 0 502.640 4.812 50 0 KJAARN COc1cc(CN(C(=O)c2ccc(C)cc2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000011908858 1066493073 /nfs/dbraw/zinc/49/30/73/1066493073.db2.gz SEKSILFZFNLJII-QHCPKHFHSA-N 0 0 507.656 4.701 50 0 KJAARN CCOC(=O)[C@@H]1CCCCN1Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000011908930 1066493022 /nfs/dbraw/zinc/49/30/22/1066493022.db2.gz BMPNXOBVMFABOW-NDEPHWFRSA-N 0 0 516.642 4.678 50 0 KJAARN CCOC(=O)[C@H]1CCCCN1Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000011908931 1066493051 /nfs/dbraw/zinc/49/30/51/1066493051.db2.gz BMPNXOBVMFABOW-MUUNZHRXSA-N 0 0 516.642 4.678 50 0 KJAARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c(OC)c1 ZINC000011908941 553348570 /nfs/dbraw/zinc/34/85/70/553348570.db2.gz UFXXDPGWNIBCLY-QHCPKHFHSA-N 0 0 506.603 4.978 50 0 KJAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c(OC)c1 ZINC000011908942 553348541 /nfs/dbraw/zinc/34/85/41/553348541.db2.gz UFXXDPGWNIBCLY-HSZRJFAPSA-N 0 0 506.603 4.978 50 0 KJAARN COc1cc(CN(C(=O)c2ccc(C)s2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000011910020 1066493067 /nfs/dbraw/zinc/49/30/67/1066493067.db2.gz ZAMBKIWKGOZEGT-FQEVSTJZSA-N 0 0 513.685 4.763 50 0 KJAARN CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(CCc2cccc(OC)c2)C3=O)C1 ZINC000011912770 553348766 /nfs/dbraw/zinc/34/87/66/553348766.db2.gz BTLBOYROEYSJLP-DHIUTWEWSA-N 0 0 503.643 4.541 50 0 KJAARN CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(CCc2cccc(OC)c2)C3=O)C1 ZINC000011912771 553348758 /nfs/dbraw/zinc/34/87/58/553348758.db2.gz BTLBOYROEYSJLP-PKTZIBPZSA-N 0 0 503.643 4.541 50 0 KJAARN CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(CCc2cccc(OC)c2)C3=O)C1 ZINC000011912772 553348682 /nfs/dbraw/zinc/34/86/82/553348682.db2.gz BTLBOYROEYSJLP-XZOQPEGZSA-N 0 0 503.643 4.541 50 0 KJAARN CC[C@H]1CCCCN1C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(CCc2cccc(OC)c2)C3=O)C1 ZINC000011912773 553348784 /nfs/dbraw/zinc/34/87/84/553348784.db2.gz BTLBOYROEYSJLP-GOTSBHOMSA-N 0 0 503.643 4.541 50 0 KJAARN O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1cccc(OC[C@@H]2CCOC2)c1)Cc1ccccn1 ZINC000011912831 1066488813 /nfs/dbraw/zinc/48/88/13/1066488813.db2.gz VYVLPNDDZHUXIY-HXUWFJFHSA-N 0 0 506.546 4.907 50 0 KJAARN O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1 ZINC000011912832 1066492927 /nfs/dbraw/zinc/49/29/27/1066492927.db2.gz VYVLPNDDZHUXIY-FQEVSTJZSA-N 0 0 506.546 4.907 50 0 KJAARN COc1cccc(-n2c(CNC(=O)c3cc(OC)ccc3OC)nnc2SCCc2ccccc2)c1 ZINC000011912916 553349150 /nfs/dbraw/zinc/34/91/50/553349150.db2.gz STLUBTKCHBPYTD-UHFFFAOYSA-N 0 0 504.612 4.558 50 0 KJAARN COc1cc(CN(Cc2cccnc2)C(=O)c2cccc(-n3nc(C)cc3C)c2)ccc1O[C@@H]1CCOC1 ZINC000011913088 1066493047 /nfs/dbraw/zinc/49/30/47/1066493047.db2.gz ZVOWWKNGHUDBNY-HHHXNRCGSA-N 0 0 512.610 4.903 50 0 KJAARN COc1cc(CN(Cc2cccnc2)C(=O)c2cccc(-n3nc(C)cc3C)c2)ccc1O[C@H]1CCOC1 ZINC000011913089 1066492860 /nfs/dbraw/zinc/49/28/60/1066492860.db2.gz ZVOWWKNGHUDBNY-MHZLTWQESA-N 0 0 512.610 4.903 50 0 KJAARN COc1cccc(-n2c(CNC(=O)c3ccc(OC)c(OC)c3)nnc2SCCc2ccccc2)c1 ZINC000011913209 553349116 /nfs/dbraw/zinc/34/91/16/553349116.db2.gz BUBIMOJDKPDHEX-UHFFFAOYSA-N 0 0 504.612 4.558 50 0 KJAARN O=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1)N1CCC(c2ccccc2)CC1 ZINC000011913429 553349143 /nfs/dbraw/zinc/34/91/43/553349143.db2.gz BBAHMJVPILMUDO-UHFFFAOYSA-N 0 0 508.622 4.500 50 0 KJAARN CCc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(OC)cc2)cc1 ZINC000011913908 553349250 /nfs/dbraw/zinc/34/92/50/553349250.db2.gz HKFSCTDVEUFFLR-UHFFFAOYSA-N 0 0 520.611 4.503 50 0 KJAARN Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2c(C)cccc2C)cc1 ZINC000011914069 553349257 /nfs/dbraw/zinc/34/92/57/553349257.db2.gz WNRUBMOJKXVPRT-UHFFFAOYSA-N 0 0 504.612 4.857 50 0 KJAARN COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1c(C)cccc1C ZINC000011914126 553349309 /nfs/dbraw/zinc/34/93/09/553349309.db2.gz CHDWUUPIUNZSDB-UHFFFAOYSA-N 0 0 520.611 4.558 50 0 KJAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccccc2)cc1Cl ZINC000011914226 553349331 /nfs/dbraw/zinc/34/93/31/553349331.db2.gz KEQGMUJPUNUEOQ-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000011914279 553349295 /nfs/dbraw/zinc/34/92/95/553349295.db2.gz QUCRJYQVKFXDLZ-VWLOTQADSA-N 0 0 501.535 4.881 50 0 KJAARN COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000011914280 553349229 /nfs/dbraw/zinc/34/92/29/553349229.db2.gz QUCRJYQVKFXDLZ-RUZDIDTESA-N 0 0 501.535 4.881 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)cc2)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000011914689 553349316 /nfs/dbraw/zinc/34/93/16/553349316.db2.gz JVNBIQDQIPTGKR-UHFFFAOYSA-N 0 0 508.575 4.770 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2)c(C(=O)Nc2ccccc2Cl)n1 ZINC000011914690 553349268 /nfs/dbraw/zinc/34/92/68/553349268.db2.gz YJBALVCJJNDYHD-UHFFFAOYSA-N 0 0 511.003 4.976 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(F)c2)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000011914693 553349265 /nfs/dbraw/zinc/34/92/65/553349265.db2.gz XIQWTIFWXHPSAK-UHFFFAOYSA-N 0 0 512.538 4.601 50 0 KJAARN CCc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(F)cc2)cc1 ZINC000011914696 553349255 /nfs/dbraw/zinc/34/92/55/553349255.db2.gz ICBLEFNDFOGPEG-UHFFFAOYSA-N 0 0 508.575 4.634 50 0 KJAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(F)c2)c(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000011914699 553349234 /nfs/dbraw/zinc/34/92/34/553349234.db2.gz FUNCEHLCVJTVNH-UHFFFAOYSA-N 0 0 514.966 4.725 50 0 KJAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(F)cc2)cc1C ZINC000011915179 553349319 /nfs/dbraw/zinc/34/93/19/553349319.db2.gz SFKBHWFTAGASAV-UHFFFAOYSA-N 0 0 508.575 4.688 50 0 KJAARN COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(C)cc1C ZINC000011915181 553349526 /nfs/dbraw/zinc/34/95/26/553349526.db2.gz OVCZNBQBVZLGCJ-UHFFFAOYSA-N 0 0 520.611 4.558 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(F)cc2)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000011915183 553349528 /nfs/dbraw/zinc/34/95/28/553349528.db2.gz ISQYNTYGVGNOCP-UHFFFAOYSA-N 0 0 512.538 4.601 50 0 KJAARN COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(C)c(C)c1 ZINC000011916424 553349537 /nfs/dbraw/zinc/34/95/37/553349537.db2.gz ONSGJHNZUVWPPP-UHFFFAOYSA-N 0 0 520.611 4.558 50 0 KJAARN Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000011916578 553349535 /nfs/dbraw/zinc/34/95/35/553349535.db2.gz MPHJHEIXXVWHEJ-UHFFFAOYSA-N 0 0 504.612 4.857 50 0 KJAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(F)cc2)c(C)c1 ZINC000011916646 553349523 /nfs/dbraw/zinc/34/95/23/553349523.db2.gz MBNGJSPLKHSGIP-UHFFFAOYSA-N 0 0 508.575 4.688 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)c1nc(S(C)(=O)=O)ncc1N(Cc1ccco1)Cc1ccccc1 ZINC000011916648 553349533 /nfs/dbraw/zinc/34/95/33/553349533.db2.gz NDCIJVHBPPNFJT-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(F)c2)c(C(=O)Nc2ccccc2Cl)n1 ZINC000011916653 553349548 /nfs/dbraw/zinc/34/95/48/553349548.db2.gz HDGRGPSSDYZRNJ-UHFFFAOYSA-N 0 0 514.966 4.725 50 0 KJAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2cccc(Cl)c2)cc1 ZINC000011916672 553349532 /nfs/dbraw/zinc/34/95/32/553349532.db2.gz XXFFOWKIYIFDIY-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN COc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)cc2C)c1 ZINC000011916990 553349531 /nfs/dbraw/zinc/34/95/31/553349531.db2.gz RLNHPTXRUCWYSC-UHFFFAOYSA-N 0 0 520.611 4.558 50 0 KJAARN CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000011916993 553349522 /nfs/dbraw/zinc/34/95/22/553349522.db2.gz QEHYUEIAJBKSFQ-UHFFFAOYSA-N 0 0 508.575 4.634 50 0 KJAARN CCc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2F)cc1 ZINC000011917006 553349542 /nfs/dbraw/zinc/34/95/42/553349542.db2.gz FMRSHOQIFFCCCM-UHFFFAOYSA-N 0 0 508.575 4.634 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)cc2)c(C(=O)Nc2ccccc2C)n1 ZINC000011917007 553349543 /nfs/dbraw/zinc/34/95/43/553349543.db2.gz UJLLXIXLKXZHPZ-UHFFFAOYSA-N 0 0 504.612 4.939 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2F)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000011917477 553349529 /nfs/dbraw/zinc/34/95/29/553349529.db2.gz GAHYXHHYINAUOR-UHFFFAOYSA-N 0 0 512.538 4.601 50 0 KJAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(Cl)c2)c(C(=O)Nc2ccc(F)cc2)n1 ZINC000011917481 553349544 /nfs/dbraw/zinc/34/95/44/553349544.db2.gz CGPMTPXMHOUOQE-UHFFFAOYSA-N 0 0 514.966 4.725 50 0 KJAARN COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000011917612 553349540 /nfs/dbraw/zinc/34/95/40/553349540.db2.gz WZIMRXRAGPAOMC-UHFFFAOYSA-N 0 0 520.611 4.558 50 0 KJAARN Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000011917617 553349538 /nfs/dbraw/zinc/34/95/38/553349538.db2.gz NNQVXTSSCMICEB-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN Cc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2Cl)cc1 ZINC000011917627 553349521 /nfs/dbraw/zinc/34/95/21/553349521.db2.gz BLZNWHZDDCPYHV-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN Cc1ccccc1CSc1nnc(CCNS(=O)(=O)c2ccc(F)c(F)c2)n1-c1ccc(F)cc1 ZINC000011963797 553349687 /nfs/dbraw/zinc/34/96/87/553349687.db2.gz RGGMGWRWBIEWTO-UHFFFAOYSA-N 0 0 518.586 4.806 50 0 KJAARN O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCCCNC1=O ZINC000011964182 553349764 /nfs/dbraw/zinc/34/97/64/553349764.db2.gz HLXJOJJJSMDZCX-VWLOTQADSA-N 0 0 511.544 4.919 50 0 KJAARN O=C(/C=C/c1cccc(F)c1)N1CCC(Oc2cccc(CN3CCN(c4ccccn4)CC3)c2)CC1 ZINC000011973480 1066488874 /nfs/dbraw/zinc/48/88/74/1066488874.db2.gz MVRVGZLIKKGOAS-ZHACJKMWSA-N 0 0 500.618 4.626 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2csc(-c3ccccc3)n2)cc1OCC1(C)COC1 ZINC000011973830 553349633 /nfs/dbraw/zinc/34/96/33/553349633.db2.gz JHEXNQCHJDJGOW-DEOSSOPVSA-N 0 0 522.667 4.984 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2csc(-c3ccccc3)n2)cc1OCC1(C)COC1 ZINC000011973843 553349793 /nfs/dbraw/zinc/34/97/93/553349793.db2.gz JHEXNQCHJDJGOW-XMMPIXPASA-N 0 0 522.667 4.984 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCOc3c(cc(-c4ccccc4C)cc3OC[C@@H]3CCOC3)C2)cc1 ZINC000011979876 1066492873 /nfs/dbraw/zinc/49/28/73/1066492873.db2.gz VXPDCPKWOXEYKW-OAQYLSRUSA-N 0 0 509.624 4.669 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCOc3c(cc(-c4ccccc4C)cc3OC[C@H]3CCOC3)C2)cc1 ZINC000011979881 1066492759 /nfs/dbraw/zinc/49/27/59/1066492759.db2.gz VXPDCPKWOXEYKW-NRFANRHFSA-N 0 0 509.624 4.669 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2ccc(CN3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000011981414 553349721 /nfs/dbraw/zinc/34/97/21/553349721.db2.gz XPCDBGPWUWWCDD-UHFFFAOYSA-N 0 0 517.601 4.560 50 0 KJAARN CCc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000011981978 553349800 /nfs/dbraw/zinc/34/98/00/553349800.db2.gz ANMZZXJQAHEUBS-UHFFFAOYSA-N 0 0 513.560 4.757 50 0 KJAARN COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CCOc2c(cc(-c3cc(Cl)ccc3OC)cc2OC)C1 ZINC000011995539 1066492885 /nfs/dbraw/zinc/49/28/85/1066492885.db2.gz ATJVJYWSOHRBBW-JOCHJYFZSA-N 0 0 522.985 4.880 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@@H]2CCCO2)c1 ZINC000012002121 1066492791 /nfs/dbraw/zinc/49/27/91/1066492791.db2.gz ISVBCSHDORDNKA-VWLOTQADSA-N 0 0 529.630 4.834 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@H]2CCCO2)c1 ZINC000012002131 1066492988 /nfs/dbraw/zinc/49/29/88/1066492988.db2.gz ISVBCSHDORDNKA-RUZDIDTESA-N 0 0 529.630 4.834 50 0 KJAARN CCOC(=O)N1CCN(c2nc3c(C)cccc3cc2CN(C[C@@H]2CCCO2)C(=O)c2cccs2)CC1 ZINC000012004454 1066492993 /nfs/dbraw/zinc/49/29/93/1066492993.db2.gz DKRZGRBNTVLZTQ-QHCPKHFHSA-N 0 0 522.671 4.705 50 0 KJAARN CCOC(=O)N1CCN(c2nc3c(C)cccc3cc2CN(C[C@H]2CCCO2)C(=O)c2cccs2)CC1 ZINC000012004461 1066492936 /nfs/dbraw/zinc/49/29/36/1066492936.db2.gz DKRZGRBNTVLZTQ-HSZRJFAPSA-N 0 0 522.671 4.705 50 0 KJAARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C1=O)CCCC2 ZINC000012017539 553350222 /nfs/dbraw/zinc/35/02/22/553350222.db2.gz WSKABRHZVHHUGL-BHIFYINESA-N 0 0 508.621 4.835 50 0 KJAARN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccccc4)[C@H]3C1=O)CCCC2 ZINC000012017562 553350161 /nfs/dbraw/zinc/35/01/61/553350161.db2.gz SZKOLGDUOUMZTP-TZRRMPRUSA-N 0 0 502.592 4.773 50 0 KJAARN COc1cc(COc2ccc(CN(C(=O)c3sccc3C)[C@H]3CCCCNC3=O)cc2)cc(OC)c1 ZINC000012034495 1066493915 /nfs/dbraw/zinc/49/39/15/1066493915.db2.gz PXSXXJUYZTUKEL-VWLOTQADSA-N 0 0 508.640 4.964 50 0 KJAARN COc1cc(CN(C(=O)c2cccc(F)c2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000012034656 1066493613 /nfs/dbraw/zinc/49/36/13/1066493613.db2.gz UJBQMAXHLVAGDZ-QFIPXVFZSA-N 0 0 511.619 4.532 50 0 KJAARN CC(C)Cn1c(CNS(=O)(=O)c2cccc3cccnc32)nnc1SCc1ccccc1Cl ZINC000012035797 553350251 /nfs/dbraw/zinc/35/02/51/553350251.db2.gz ZAPGCETZQZZRGQ-UHFFFAOYSA-N 0 0 502.065 4.907 50 0 KJAARN O=C1c2cccc(N3CCN(Cc4ccc5nccnc5c4)CC3)c2C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000012035830 553350239 /nfs/dbraw/zinc/35/02/39/553350239.db2.gz JDKWVKYOFFXNKQ-UHFFFAOYSA-N 0 0 531.538 4.767 50 0 KJAARN CN(Cc1cscn1)Cc1cccc(OCCN2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1 ZINC000012036262 1066493581 /nfs/dbraw/zinc/49/35/81/1066493581.db2.gz BBWCDPWCPJIPBN-UHFFFAOYSA-N 0 0 543.737 4.972 50 0 KJAARN O=C(c1cncs1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2nc1N1CCOCC1)CCC3 ZINC000012037669 1066493617 /nfs/dbraw/zinc/49/36/17/1066493617.db2.gz PSQAUEKXZXZRLZ-UHFFFAOYSA-N 0 0 528.634 4.588 50 0 KJAARN O=C1c2cccc(N3CCN(Cc4ccc5nccnc5c4)CC3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000012039639 1066493601 /nfs/dbraw/zinc/49/36/01/1066493601.db2.gz NZDCEVFHSKGECP-UHFFFAOYSA-N 0 0 531.538 4.767 50 0 KJAARN COc1ccc(CN(C(=O)c2ccc(S(N)(=O)=O)cc2)C2CCCC2)cc1OCc1cccs1 ZINC000012041518 1066493558 /nfs/dbraw/zinc/49/35/58/1066493558.db2.gz PTDMZGODYZYLEZ-UHFFFAOYSA-N 0 0 500.642 4.568 50 0 KJAARN COc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)CCn3ccc(C)n3)cc2c(OC)c1OC ZINC000012041808 1066488706 /nfs/dbraw/zinc/48/87/06/1066488706.db2.gz WWEZQGXVFKPUJE-UHFFFAOYSA-N 0 0 549.647 4.632 50 0 KJAARN COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCN(C(=O)Cc3csc(C)n3)C4)cc(C)c2c1 ZINC000012048410 553350638 /nfs/dbraw/zinc/35/06/38/553350638.db2.gz SDRSEZGNXFIFGX-UHFFFAOYSA-N 0 0 519.623 4.965 50 0 KJAARN Cc1nn(CC(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@@H]2CCCO2)c(=O)c2ccccc12 ZINC000012051575 1066493566 /nfs/dbraw/zinc/49/35/66/1066493566.db2.gz LBZFHIGJMZBBPY-SANMLTNESA-N 0 0 529.612 4.673 50 0 KJAARN Cc1nn(CC(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@H]2CCCO2)c(=O)c2ccccc12 ZINC000012051580 1066493577 /nfs/dbraw/zinc/49/35/77/1066493577.db2.gz LBZFHIGJMZBBPY-AREMUKBSSA-N 0 0 529.612 4.673 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)c1 ZINC000012056791 1066493542 /nfs/dbraw/zinc/49/35/42/1066493542.db2.gz ZCFVKNQDZANZLZ-DEOSSOPVSA-N 0 0 517.669 4.757 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@H]2CCCO2)c1 ZINC000012056793 1066493592 /nfs/dbraw/zinc/49/35/92/1066493592.db2.gz ZCFVKNQDZANZLZ-XMMPIXPASA-N 0 0 517.669 4.757 50 0 KJAARN COc1ccc(OC)c(CC(=O)N[C@@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c1 ZINC000012056919 553350666 /nfs/dbraw/zinc/35/06/66/553350666.db2.gz NWIIBGSXVUSWPR-DEOSSOPVSA-N 0 0 520.630 4.906 50 0 KJAARN COc1ccc(OC)c(CC(=O)N[C@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c1 ZINC000012056921 553350686 /nfs/dbraw/zinc/35/06/86/553350686.db2.gz NWIIBGSXVUSWPR-XMMPIXPASA-N 0 0 520.630 4.906 50 0 KJAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(F)cc2)c(C(=O)Nc2ccccc2Cl)n1 ZINC000012062472 553350609 /nfs/dbraw/zinc/35/06/09/553350609.db2.gz OOJFNSBPTHSICS-UHFFFAOYSA-N 0 0 514.966 4.725 50 0 KJAARN 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COc1cc(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2CCCC3)ccc1OC1Cc2ccccc2C1 ZINC000012242446 1066489296 /nfs/dbraw/zinc/48/92/96/1066489296.db2.gz UTMFMPRSTFMPOG-QHCPKHFHSA-N 0 0 501.627 4.665 50 0 KJAARN COc1cc(CN(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2CCCC3)ccc1OC1Cc2ccccc2C1 ZINC000012242447 1066489305 /nfs/dbraw/zinc/48/93/05/1066489305.db2.gz UTMFMPRSTFMPOG-HSZRJFAPSA-N 0 0 501.627 4.665 50 0 KJAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)N(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000012242497 553354587 /nfs/dbraw/zinc/35/45/87/553354587.db2.gz FEFVWBTWDMAFQL-RDGATRHJSA-N 0 0 508.594 4.673 50 0 KJAARN O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 ZINC000012242898 553354836 /nfs/dbraw/zinc/35/48/36/553354836.db2.gz UHORPNZEDFCCNX-UHFFFAOYSA-N 0 0 520.564 4.646 50 0 KJAARN CC(=O)n1cc(CN2CCN(c3cccc4c3C(=O)N(CCc3cccc(F)c3)C4=O)CC2)c2ccccc21 ZINC000012243025 1066494601 /nfs/dbraw/zinc/49/46/01/1066494601.db2.gz VDZKPKXGOOGPHG-UHFFFAOYSA-N 0 0 524.596 4.601 50 0 KJAARN O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCc1nnc(SCC2CCCCC2)n1-c1ccc(F)cc1 ZINC000012243072 553354834 /nfs/dbraw/zinc/35/48/34/553354834.db2.gz OGWRGCCREYKTCS-QFIPXVFZSA-N 0 0 521.662 4.711 50 0 KJAARN O=C(CN1C[C@H](c2ccccc2)CC1=O)NCc1nnc(SCC2CCCCC2)n1-c1ccc(F)cc1 ZINC000012243073 553354847 /nfs/dbraw/zinc/35/48/47/553354847.db2.gz OGWRGCCREYKTCS-JOCHJYFZSA-N 0 0 521.662 4.711 50 0 KJAARN COc1cccc(-n2c(CNC(=O)c3cc(OC)cc(OC)c3)nnc2SCCc2ccccc2)c1 ZINC000012243406 553354793 /nfs/dbraw/zinc/35/47/93/553354793.db2.gz YLYXUBUOYBREGA-UHFFFAOYSA-N 0 0 504.612 4.558 50 0 KJAARN COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)c3C2=O)cc1 ZINC000012243427 1066494566 /nfs/dbraw/zinc/49/45/66/1066494566.db2.gz XISXBRAVSXFOQD-UHFFFAOYSA-N 0 0 509.528 4.832 50 0 KJAARN COc1cccc(C(=O)NCCc2nnc(SCc3ccccc3C)n2-c2ccc(F)cc2)c1OC ZINC000012244096 553354837 /nfs/dbraw/zinc/35/48/37/553354837.db2.gz NCKJVNNFZTXYAO-UHFFFAOYSA-N 0 0 506.603 4.997 50 0 KJAARN COc1ccc(S(=O)(=O)N(Cc2cccc(OCCc3cccs3)c2)C[C@@H]2CCCO2)cc1OC ZINC000012244203 1066494586 /nfs/dbraw/zinc/49/45/86/1066494586.db2.gz WMMBPSGDIIWPPW-QFIPXVFZSA-N 0 0 517.669 4.757 50 0 KJAARN COc1ccc(S(=O)(=O)N(Cc2cccc(OCCc3cccs3)c2)C[C@H]2CCCO2)cc1OC ZINC000012244204 1066494669 /nfs/dbraw/zinc/49/46/69/1066494669.db2.gz WMMBPSGDIIWPPW-JOCHJYFZSA-N 0 0 517.669 4.757 50 0 KJAARN COc1cc(COc2ccc(CN(C(=O)c3ccc(C)s3)[C@H]3CCCCNC3=O)cc2)cc(OC)c1 ZINC000012244288 1066494712 /nfs/dbraw/zinc/49/47/12/1066494712.db2.gz KDNBGJFRJVAAJE-VWLOTQADSA-N 0 0 508.640 4.964 50 0 KJAARN COc1ccc(CN2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)cc1 ZINC000012244956 553355027 /nfs/dbraw/zinc/35/50/27/553355027.db2.gz ICVVXROHAFJISL-UHFFFAOYSA-N 0 0 509.528 4.832 50 0 KJAARN O=C(c1ccco1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2nc1N1CCOCC1)CCC3 ZINC000012244987 1066494674 /nfs/dbraw/zinc/49/46/74/1066494674.db2.gz KKHGDPCRAPDIOU-UHFFFAOYSA-N 0 0 511.578 4.724 50 0 KJAARN O=S(=O)(c1cccs1)N1CCOc2c(cc(-c3nc4ccccc4s3)cc2O[C@@H]2CCOC2)C1 ZINC000012245325 1066490029 /nfs/dbraw/zinc/49/00/29/1066490029.db2.gz ZKGYUUVGXCPLGV-GOSISDBHSA-N 0 0 514.650 4.776 50 0 KJAARN O=S(=O)(c1cccs1)N1CCOc2c(cc(-c3nc4ccccc4s3)cc2O[C@H]2CCOC2)C1 ZINC000012245326 1066489941 /nfs/dbraw/zinc/48/99/41/1066489941.db2.gz ZKGYUUVGXCPLGV-SFHVURJKSA-N 0 0 514.650 4.776 50 0 KJAARN Cc1ccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3cc4c(cc3nc2N2CCOCC2)CCC4)cc1 ZINC000012245515 1066494692 /nfs/dbraw/zinc/49/46/92/1066494692.db2.gz FLFKASAJAWLXKL-UHFFFAOYSA-N 0 0 526.681 4.523 50 0 KJAARN COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)c3C2=O)cc1 ZINC000012246776 1066494616 /nfs/dbraw/zinc/49/46/16/1066494616.db2.gz QUOAORKLTGDWHI-UHFFFAOYSA-N 0 0 509.528 4.832 50 0 KJAARN COc1cc(CN(C(=O)/C=C/c2cccc(F)c2)[C@H]2CCCCNC2=O)ccc1OCCc1ccccn1 ZINC000012247049 553355253 /nfs/dbraw/zinc/35/52/53/553355253.db2.gz QJUHWBJXXGUFKT-FIUWIIBXSA-N 0 0 517.601 4.562 50 0 KJAARN COc1cccc(-n2c(CNC(=O)c3cccc(Cn4cccn4)c3)nnc2SCCc2ccccc2)c1 ZINC000012247676 553355213 /nfs/dbraw/zinc/35/52/13/553355213.db2.gz VNLSFUMLQSSIOJ-UHFFFAOYSA-N 0 0 524.650 4.786 50 0 KJAARN COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)c3C2=O)cc1 ZINC000012247737 553355245 /nfs/dbraw/zinc/35/52/45/553355245.db2.gz YYFZCYILQHOCRY-UHFFFAOYSA-N 0 0 525.527 4.712 50 0 KJAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)CCc3ccc(C)cc3)c(N3CCOCC3)nc2c1 ZINC000012278413 1066490438 /nfs/dbraw/zinc/49/04/38/1066490438.db2.gz TYOMRVQYMQXMAX-MHZLTWQESA-N 0 0 503.643 4.529 50 0 KJAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)CCc3ccc(C)cc3)c(N3CCOCC3)nc2c1 ZINC000012278414 1066494697 /nfs/dbraw/zinc/49/46/97/1066494697.db2.gz TYOMRVQYMQXMAX-HHHXNRCGSA-N 0 0 503.643 4.529 50 0 KJAARN COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CCOc2c(cc(-c3ccc(SC)cc3)cc2OC)C1 ZINC000012279105 1066495323 /nfs/dbraw/zinc/49/53/23/1066495323.db2.gz QPKYXSAASMELEY-HSZRJFAPSA-N 0 0 504.608 4.940 50 0 KJAARN Cn1c(SCc2ccccc2F)nnc1[C@@H](Cc1ccccc1)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000012281533 553356340 /nfs/dbraw/zinc/35/63/40/553356340.db2.gz SLCOBJHCSLJGGV-JOCHJYFZSA-N 0 0 504.587 4.618 50 0 KJAARN Cn1c(SCc2ccccc2F)nnc1[C@H](Cc1ccccc1)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000012281534 553356284 /nfs/dbraw/zinc/35/62/84/553356284.db2.gz SLCOBJHCSLJGGV-QFIPXVFZSA-N 0 0 504.587 4.618 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000012285478 553356727 /nfs/dbraw/zinc/35/67/27/553356727.db2.gz ABFUSSUDILJPAK-UHFFFAOYSA-N 0 0 519.088 4.902 50 0 KJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Cl)cc3C)cc2)c(C)c1 ZINC000012289685 553356758 /nfs/dbraw/zinc/35/67/58/553356758.db2.gz YZJSPWLDWGUFIN-UHFFFAOYSA-N 0 0 518.060 4.958 50 0 KJAARN COc1ccc(N(C(=O)c2ccccc2Br)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000012291361 553356684 /nfs/dbraw/zinc/35/66/84/553356684.db2.gz KMDMZMRIDZSUMJ-UHFFFAOYSA-N 0 0 506.374 4.511 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n32)cc1 ZINC000012294041 553356830 /nfs/dbraw/zinc/35/68/30/553356830.db2.gz MZNHZBHJJBVSAR-JGZDWKDESA-N 0 0 517.434 4.502 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n32)cc1 ZINC000012294043 553356963 /nfs/dbraw/zinc/35/69/63/553356963.db2.gz MZNHZBHJJBVSAR-WYWXSHKMSA-N 0 0 517.434 4.502 50 0 KJAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)ccc12 ZINC000012311412 553357340 /nfs/dbraw/zinc/35/73/40/553357340.db2.gz ILYCOOJVCKYQGM-JOCHJYFZSA-N 0 0 520.925 4.648 50 0 KJAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccco3)ccc12 ZINC000012311413 553357332 /nfs/dbraw/zinc/35/73/32/553357332.db2.gz ILYCOOJVCKYQGM-QFIPXVFZSA-N 0 0 520.925 4.648 50 0 KJAARN CCN(CC)S(=O)(=O)c1cccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000012311603 1067138646 /nfs/dbraw/zinc/13/86/46/1067138646.db2.gz VNDUEPZKXABDKH-ITYLOYPMSA-N 0 0 503.624 4.974 50 0 KJAARN C[C@@H](NC(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000012311641 553357510 /nfs/dbraw/zinc/35/75/10/553357510.db2.gz NOMHRYHCZOWTTP-QGZVFWFLSA-N 0 0 500.473 4.757 50 0 KJAARN C[C@H](NC(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000012311642 553357529 /nfs/dbraw/zinc/35/75/29/553357529.db2.gz NOMHRYHCZOWTTP-KRWDZBQOSA-N 0 0 500.473 4.757 50 0 KJAARN CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2C(C)C)CC1 ZINC000012311789 553357740 /nfs/dbraw/zinc/35/77/40/553357740.db2.gz GJAFVFQRGJUJEF-UHFFFAOYSA-N 0 0 522.671 4.960 50 0 KJAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2ccc(N(CC)CC)cc2)nc1C ZINC000012311870 553357718 /nfs/dbraw/zinc/35/77/18/553357718.db2.gz BMRVWOMBUUJIGO-UHFFFAOYSA-N 0 0 509.628 4.865 50 0 KJAARN COc1cccc(NC(=O)COC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012311996 553357919 /nfs/dbraw/zinc/35/79/19/553357919.db2.gz FCIXHAXUDHKZEV-UHFFFAOYSA-N 0 0 502.445 4.527 50 0 KJAARN COc1cc2sc(/C=C/c3ccc(OC)c(OC)c3)[n+](CCCS(=O)(=O)[O-])c2c2sccc21 ZINC000012312028 1067138565 /nfs/dbraw/zinc/13/85/65/1067138565.db2.gz IASVAXJCFUSWBO-SOFGYWHQSA-O 0 0 506.647 4.878 50 0 KJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 ZINC000012312202 553358087 /nfs/dbraw/zinc/35/80/87/553358087.db2.gz GKLOSSMRJKBOMC-UHFFFAOYSA-N 0 0 529.688 4.955 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)/C=C/c2cccc(OC)c2OC)cc1 ZINC000012312303 553358104 /nfs/dbraw/zinc/35/81/04/553358104.db2.gz VOESTTDWYOTQCX-MIWMXLOXSA-N 0 0 500.551 4.647 50 0 KJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)/C=C/c2cccc(OC)c2OC)cc1 ZINC000012312304 553358121 /nfs/dbraw/zinc/35/81/21/553358121.db2.gz VOESTTDWYOTQCX-YGMDYZATSA-N 0 0 500.551 4.647 50 0 KJAARN O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012318488 553358232 /nfs/dbraw/zinc/35/82/32/553358232.db2.gz ZHJKKJFZCXMXKG-OCBJUFRSSA-N 0 0 535.688 4.707 50 0 KJAARN COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c1 ZINC000012330234 553358509 /nfs/dbraw/zinc/35/85/09/553358509.db2.gz YTMXVXVRLPWXCN-DEOSSOPVSA-N 0 0 506.603 4.978 50 0 KJAARN COc1cc(OC)cc(C(=O)N[C@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c1 ZINC000012330239 553358511 /nfs/dbraw/zinc/35/85/11/553358511.db2.gz YTMXVXVRLPWXCN-XMMPIXPASA-N 0 0 506.603 4.978 50 0 KJAARN CC(=O)Nc1ccc(C(=O)N(Cc2ccc(OC3Cc4ccccc4C3)cc2)[C@H]2CCCCNC2=O)cc1 ZINC000012338211 1066495292 /nfs/dbraw/zinc/49/52/92/1066495292.db2.gz CODVXKXNUGIHFM-LJAQVGFWSA-N 0 0 511.622 4.502 50 0 KJAARN COCCOc1cc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2C)c(Cl)cc1Cl ZINC000012338638 553358499 /nfs/dbraw/zinc/35/84/99/553358499.db2.gz WZAOPDNDJKNOTI-UHFFFAOYSA-N 0 0 500.180 4.923 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000012342353 553358850 /nfs/dbraw/zinc/35/88/50/553358850.db2.gz MFODJZJMTHQLET-UHFFFAOYSA-N 0 0 529.637 4.967 50 0 KJAARN C/C(=C\C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000012350127 553359122 /nfs/dbraw/zinc/35/91/22/553359122.db2.gz ZSSIVMHVKQRJNY-SAPNQHFASA-N 0 0 528.406 4.782 50 0 KJAARN 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COc1ccc(CN2C(=O)[C@](NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)N=C2c2ccccc2)cc1 ZINC000012420709 553365800 /nfs/dbraw/zinc/36/58/00/553365800.db2.gz SFZNQTGFVLEQTQ-DEOSSOPVSA-N 0 0 501.892 4.826 50 0 KJAARN Cn1c2cc(Cl)c(C(=O)CSc3nnc(Cc4ccccc4)n3-c3ccccc3)cc2n(C)c1=O ZINC000012428000 553366065 /nfs/dbraw/zinc/36/60/65/553366065.db2.gz NQIHKOSKORLRHZ-UHFFFAOYSA-N 0 0 504.015 4.677 50 0 KJAARN Cc1ccc(-n2c(/C=C3\C(=O)Nc4ccccc43)nc3ccc(I)cc3c2=O)cc1 ZINC000012436614 553366238 /nfs/dbraw/zinc/36/62/38/553366238.db2.gz GDFCOPJQXFPAFT-AQTBWJFISA-N 0 0 505.315 4.791 50 0 KJAARN Cc1ccc(Cc2nnc(NC(=O)C[C@@H](CN(C)S(=O)(=O)c3ccccc3)c3ccccc3)s2)cc1 ZINC000012447727 553366864 /nfs/dbraw/zinc/36/68/64/553366864.db2.gz DYAUDXDLKYLYGS-QHCPKHFHSA-N 0 0 520.680 4.870 50 0 KJAARN Cc1ccc(Cc2nnc(NC(=O)C[C@H](CN(C)S(=O)(=O)c3ccccc3)c3ccccc3)s2)cc1 ZINC000012447728 553366814 /nfs/dbraw/zinc/36/68/14/553366814.db2.gz DYAUDXDLKYLYGS-HSZRJFAPSA-N 0 0 520.680 4.870 50 0 KJAARN Cc1ccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3ccc(C)cc3nc2N2CCC[C@@H](O)C2)s1 ZINC000012452312 1066496623 /nfs/dbraw/zinc/49/66/23/1066496623.db2.gz KBKKQSLDZSPIFN-XMMPIXPASA-N 0 0 520.699 4.529 50 0 KJAARN Cc1ccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3ccc(C)cc3nc2N2CCC[C@H](O)C2)s1 ZINC000012452315 1066496608 /nfs/dbraw/zinc/49/66/08/1066496608.db2.gz KBKKQSLDZSPIFN-DEOSSOPVSA-N 0 0 520.699 4.529 50 0 KJAARN Cc1cc(C(=O)N(CCCN2CCCC2=O)Cc2cc3cc(C)ccc3nc2-c2cccs2)n(C)n1 ZINC000012452377 553366819 /nfs/dbraw/zinc/36/68/19/553366819.db2.gz RSPBQYSWSXNVRC-UHFFFAOYSA-N 0 0 501.656 4.969 50 0 KJAARN CCOc1ccccc1N1CCN(C(=O)c2c(=O)cc(C)n(CCc3cccc(Cl)c3)c2COC)CC1 ZINC000012453939 553366861 /nfs/dbraw/zinc/36/68/61/553366861.db2.gz ISELIPYLLWAUAG-UHFFFAOYSA-N 0 0 524.061 4.560 50 0 KJAARN CCOc1cc(CN2CCN(c3cccc4c3C(=O)N([C@@H](C)c3cccs3)C4=O)CC2)ccc1OC ZINC000012455280 1066496570 /nfs/dbraw/zinc/49/65/70/1066496570.db2.gz HLVDEBXRGLFPPX-IBGZPJMESA-N 0 0 505.640 4.835 50 0 KJAARN CCOc1cc(CN2CCN(c3cccc4c3C(=O)N([C@H](C)c3cccs3)C4=O)CC2)ccc1OC ZINC000012455283 1066496592 /nfs/dbraw/zinc/49/65/92/1066496592.db2.gz HLVDEBXRGLFPPX-LJQANCHMSA-N 0 0 505.640 4.835 50 0 KJAARN CC(=O)N1CCN(c2nc3ccc(C)cc3cc2CN(CCC2=CCCCC2)C(=O)[C@@H]2CCCO2)CC1 ZINC000012455435 1066491444 /nfs/dbraw/zinc/49/14/44/1066491444.db2.gz IHOOOPOLWAZTSU-NDEPHWFRSA-N 0 0 504.675 4.610 50 0 KJAARN CC(=O)N1CCN(c2nc3ccc(C)cc3cc2CN(CCC2=CCCCC2)C(=O)[C@H]2CCCO2)CC1 ZINC000012455439 1066491700 /nfs/dbraw/zinc/49/17/00/1066491700.db2.gz IHOOOPOLWAZTSU-MUUNZHRXSA-N 0 0 504.675 4.610 50 0 KJAARN Cc1ccsc1C(=O)N(CCCN1CCCC1=O)Cc1cc2cc3c(cc2nc1N1CCOCC1)CCC3 ZINC000012457270 1066496550 /nfs/dbraw/zinc/49/65/50/1066496550.db2.gz OVQQHDZLJAVNGC-UHFFFAOYSA-N 0 0 532.710 4.585 50 0 KJAARN COc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000012461843 553367016 /nfs/dbraw/zinc/36/70/16/553367016.db2.gz MMKLNZFROFYVBR-SANMLTNESA-N 0 0 508.596 4.646 50 0 biogenic,in-vitro KJAARN COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000012461844 553366968 /nfs/dbraw/zinc/36/69/68/553366968.db2.gz MMKLNZFROFYVBR-AREMUKBSSA-N 0 0 508.596 4.646 50 0 biogenic,in-vitro KJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCN(c4ccccc4F)CC2)C3=O)cc1C ZINC000012462226 553367030 /nfs/dbraw/zinc/36/70/30/553367030.db2.gz FRBIYWNAAVTYAF-GDLZYMKVSA-N 0 0 516.642 4.502 50 0 KJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCN(c4ccccc4F)CC2)C3=O)cc1C ZINC000012462227 553367293 /nfs/dbraw/zinc/36/72/93/553367293.db2.gz FRBIYWNAAVTYAF-LJAQVGFWSA-N 0 0 516.642 4.502 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C(=S)N2CCc2ccc(Cl)cc2)cc1 ZINC000012463869 553367295 /nfs/dbraw/zinc/36/72/95/553367295.db2.gz GFKNWNPYLYVCTL-VWLOTQADSA-N 0 0 522.070 4.960 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3ccccc3)C(=S)N2CCc2ccc(Cl)cc2)cc1 ZINC000012463874 553367318 /nfs/dbraw/zinc/36/73/18/553367318.db2.gz GFKNWNPYLYVCTL-RUZDIDTESA-N 0 0 522.070 4.960 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000012468370 553367994 /nfs/dbraw/zinc/36/79/94/553367994.db2.gz OJINIUMZYWEEKI-VWLOTQADSA-N 0 0 521.614 4.807 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000012468373 553367980 /nfs/dbraw/zinc/36/79/80/553367980.db2.gz OJINIUMZYWEEKI-RUZDIDTESA-N 0 0 521.614 4.807 50 0 KJAARN COc1ccc(NC(=O)COc2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 ZINC000012483825 553376862 /nfs/dbraw/zinc/37/68/62/553376862.db2.gz PDLAOUTUPHIGDW-INIZCTEOSA-N 0 0 512.946 4.559 50 0 KJAARN COc1ccc(NC(=O)COc2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 ZINC000012483846 553376808 /nfs/dbraw/zinc/37/68/08/553376808.db2.gz PDLAOUTUPHIGDW-MRXNPFEDSA-N 0 0 512.946 4.559 50 0 KJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000012484453 553377246 /nfs/dbraw/zinc/37/72/46/553377246.db2.gz HUGBIFVOCGDIRW-XMMPIXPASA-N 0 0 517.626 4.821 50 0 KJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000012484467 553377202 /nfs/dbraw/zinc/37/72/02/553377202.db2.gz HUGBIFVOCGDIRW-DEOSSOPVSA-N 0 0 517.626 4.821 50 0 KJAARN CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(C(C)(C)C)c1 ZINC000012498326 553382229 /nfs/dbraw/zinc/38/22/29/553382229.db2.gz TYUWWJMKIYQYAR-UHFFFAOYSA-N 0 0 500.661 4.862 50 0 KJAARN Cc1oc2cc(OC[C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc2c(=O)c1-c1ccc(F)cc1 ZINC000012499694 553382209 /nfs/dbraw/zinc/38/22/09/553382209.db2.gz OGGAUCPNFAOIHN-DEOSSOPVSA-N 0 0 506.549 4.609 50 0 KJAARN Cc1oc2cc(OC[C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc2c(=O)c1-c1ccc(F)cc1 ZINC000012499701 553382237 /nfs/dbraw/zinc/38/22/37/553382237.db2.gz OGGAUCPNFAOIHN-XMMPIXPASA-N 0 0 506.549 4.609 50 0 KJAARN CN(CCCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 ZINC000012508019 553382392 /nfs/dbraw/zinc/38/23/92/553382392.db2.gz IWOANEKRMVESOF-UHFFFAOYSA-N 0 0 506.455 4.979 50 0 KJAARN O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012523941 553383188 /nfs/dbraw/zinc/38/31/88/553383188.db2.gz KJTAGISGBDRHNQ-UHFFFAOYSA-N 0 0 505.518 4.595 50 0 KJAARN CCCn1c(SCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)nnc1-c1ccc(Cl)cc1 ZINC000012524805 553383712 /nfs/dbraw/zinc/38/37/12/553383712.db2.gz JDMAQPANRULTEN-UHFFFAOYSA-N 0 0 519.096 4.921 50 0 KJAARN CC(C)c1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000012524876 553383955 /nfs/dbraw/zinc/38/39/55/553383955.db2.gz PJXBIVHSJQIQBD-OAQYLSRUSA-N 0 0 516.714 4.713 50 0 KJAARN CC(C)c1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000012524877 553383916 /nfs/dbraw/zinc/38/39/16/553383916.db2.gz PJXBIVHSJQIQBD-NRFANRHFSA-N 0 0 516.714 4.713 50 0 KJAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000012526684 553384377 /nfs/dbraw/zinc/38/43/77/553384377.db2.gz ZLYPTGBYMDMYPC-UHFFFAOYSA-N 0 0 527.600 4.534 50 0 KJAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012527096 553384361 /nfs/dbraw/zinc/38/43/61/553384361.db2.gz UPYUPDHTMJJDOI-UHFFFAOYSA-N 0 0 509.691 4.854 50 0 KJAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000012528681 553384597 /nfs/dbraw/zinc/38/45/97/553384597.db2.gz DEULBSNKBKEZTA-AREMUKBSSA-N 0 0 506.591 4.991 50 0 KJAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000012528682 553384622 /nfs/dbraw/zinc/38/46/22/553384622.db2.gz DEULBSNKBKEZTA-SANMLTNESA-N 0 0 506.591 4.991 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)NCCc3ccccc3)c2)cc1 ZINC000012528756 553384567 /nfs/dbraw/zinc/38/45/67/553384567.db2.gz XRAUKKJSCJGQMG-UHFFFAOYSA-N 0 0 510.685 4.625 50 0 KJAARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012528774 553384660 /nfs/dbraw/zinc/38/46/60/553384660.db2.gz FMELIBYHIYNEDD-DEOSSOPVSA-N 0 0 502.489 4.604 50 0 KJAARN COc1cc(C(=O)N[C@H](C(=O)OCc2csc(Nc3ccc(C)cc3)n2)C(C)C)cc(OC)c1OC ZINC000012528779 553384638 /nfs/dbraw/zinc/38/46/38/553384638.db2.gz KUECGBAJYOZZFG-QFIPXVFZSA-N 0 0 513.616 4.719 50 0 KJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cs1 ZINC000012528955 553384733 /nfs/dbraw/zinc/38/47/33/553384733.db2.gz JLVUBRUQWBTWRV-QFIPXVFZSA-N 0 0 519.648 4.779 50 0 KJAARN Cc1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000012528962 553384782 /nfs/dbraw/zinc/38/47/82/553384782.db2.gz KSDFPODMUALKKW-UHFFFAOYSA-N 0 0 516.063 4.720 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(Nc3ccccc3)s2)c1 ZINC000012529014 553384757 /nfs/dbraw/zinc/38/47/57/553384757.db2.gz SRKUMVSHXRSBOM-UHFFFAOYSA-N 0 0 512.082 4.696 50 0 KJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1C ZINC000012529018 553385031 /nfs/dbraw/zinc/38/50/31/553385031.db2.gz TTXKWWVWYKZWTQ-IZZNHLLZSA-N 0 0 527.683 4.518 50 0 KJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1C ZINC000012529019 553385018 /nfs/dbraw/zinc/38/50/18/553385018.db2.gz TTXKWWVWYKZWTQ-CLJLJLNGSA-N 0 0 527.683 4.518 50 0 KJAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 ZINC000012529115 553385199 /nfs/dbraw/zinc/38/51/99/553385199.db2.gz QBJMFGDSEIZSDF-UHFFFAOYSA-N 0 0 517.695 4.655 50 0 KJAARN COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)Nc1ccccc1OC ZINC000012529191 553385416 /nfs/dbraw/zinc/38/54/16/553385416.db2.gz BNYDTQAJMVBUSA-UHFFFAOYSA-N 0 0 504.612 4.910 50 0 KJAARN C[C@@H](NC(=O)COC(=O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000012529212 553385398 /nfs/dbraw/zinc/38/53/98/553385398.db2.gz WDSANIYQJKLZPB-MGIIHASJSA-N 0 0 529.681 4.527 50 0 KJAARN C[C@H](NC(=O)COC(=O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000012529213 553385425 /nfs/dbraw/zinc/38/54/25/553385425.db2.gz WDSANIYQJKLZPB-KMRWNETISA-N 0 0 529.681 4.527 50 0 KJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1oc2ccccc2c1CSc1nc[nH]n1 ZINC000012529322 553385403 /nfs/dbraw/zinc/38/54/03/553385403.db2.gz SLDLLMBHXIYXLW-UHFFFAOYSA-N 0 0 523.615 4.730 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000012529565 553385797 /nfs/dbraw/zinc/38/57/97/553385797.db2.gz DLUWNBXMTVUUAQ-FQEVSTJZSA-N 0 0 510.593 4.577 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000012529569 553385802 /nfs/dbraw/zinc/38/58/02/553385802.db2.gz DLUWNBXMTVUUAQ-HXUWFJFHSA-N 0 0 510.593 4.577 50 0 KJAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C(C)=O)cc3)C2=O)c1 ZINC000012529655 1067138459 /nfs/dbraw/zinc/13/84/59/1067138459.db2.gz FAZVFRFXAQUETA-NLRVBDNBSA-N 0 0 517.607 4.560 50 0 KJAARN O=C(COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2)NCCc1ccc(F)cc1 ZINC000012529676 553385789 /nfs/dbraw/zinc/38/57/89/553385789.db2.gz QTJXCSNUWQKDQA-UHFFFAOYSA-N 0 0 524.658 4.519 50 0 KJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012530311 553386015 /nfs/dbraw/zinc/38/60/15/553386015.db2.gz GFSOMWWTKFBVSW-UHFFFAOYSA-N 0 0 514.051 4.752 50 0 KJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012530423 553385993 /nfs/dbraw/zinc/38/59/93/553385993.db2.gz FMGCHSVAWFYMJQ-UHFFFAOYSA-N 0 0 507.443 4.974 50 0 KJAARN C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)cc2C1 ZINC000012530587 553386051 /nfs/dbraw/zinc/38/60/51/553386051.db2.gz JERNBNHRCUWGAU-MRXNPFEDSA-N 0 0 525.092 4.887 50 0 KJAARN C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)cc2C1 ZINC000012530590 553385990 /nfs/dbraw/zinc/38/59/90/553385990.db2.gz JERNBNHRCUWGAU-INIZCTEOSA-N 0 0 525.092 4.887 50 0 KJAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000012530669 553386007 /nfs/dbraw/zinc/38/60/07/553386007.db2.gz ILVQLEGQNHWYNR-UHFFFAOYSA-N 0 0 517.003 4.804 50 0 KJAARN O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000012530748 553385984 /nfs/dbraw/zinc/38/59/84/553385984.db2.gz SMCPLTINYRICOF-UHFFFAOYSA-N 0 0 504.608 4.776 50 0 KJAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 ZINC000012531350 553386165 /nfs/dbraw/zinc/38/61/65/553386165.db2.gz PELUJFMXKOJMAK-WMZOPIPTSA-N 0 0 512.628 4.851 50 0 KJAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 ZINC000012531354 553386214 /nfs/dbraw/zinc/38/62/14/553386214.db2.gz PELUJFMXKOJMAK-FUHWJXTLSA-N 0 0 512.628 4.851 50 0 KJAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 ZINC000012531357 553386187 /nfs/dbraw/zinc/38/61/87/553386187.db2.gz PELUJFMXKOJMAK-AEFFLSMTSA-N 0 0 512.628 4.851 50 0 KJAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 ZINC000012531360 553386127 /nfs/dbraw/zinc/38/61/27/553386127.db2.gz PELUJFMXKOJMAK-SJLPKXTDSA-N 0 0 512.628 4.851 50 0 KJAARN COCCn1c2nc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000012531515 553386371 /nfs/dbraw/zinc/38/63/71/553386371.db2.gz WWFJEAGBXKGKKL-UHFFFAOYSA-N 0 0 511.365 4.815 50 0 KJAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000012531554 553386417 /nfs/dbraw/zinc/38/64/17/553386417.db2.gz YLFIWRCCCFAQRI-UHFFFAOYSA-N 0 0 502.032 4.761 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)ccc1Cl ZINC000012531813 553386387 /nfs/dbraw/zinc/38/63/87/553386387.db2.gz BQXBNZIYLZWWEE-KRWDZBQOSA-N 0 0 508.065 4.806 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)ccc1Cl ZINC000012531815 553386367 /nfs/dbraw/zinc/38/63/67/553386367.db2.gz BQXBNZIYLZWWEE-QGZVFWFLSA-N 0 0 508.065 4.806 50 0 KJAARN Cc1cccc2sc(NC(=O)c3cccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)c3)nc21 ZINC000012531865 553386540 /nfs/dbraw/zinc/38/65/40/553386540.db2.gz NZOGNYZGGUCCOQ-UHFFFAOYSA-N 0 0 510.616 4.507 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000012532075 553386592 /nfs/dbraw/zinc/38/65/92/553386592.db2.gz XLUWVWZBRLSEOX-UHFFFAOYSA-N 0 0 522.623 4.508 50 0 KJAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012532394 553386506 /nfs/dbraw/zinc/38/65/06/553386506.db2.gz FCDRNGLSEDSARN-DKODJIDWSA-N 0 0 528.646 4.813 50 0 KJAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012532396 553386613 /nfs/dbraw/zinc/38/66/13/553386613.db2.gz FCDRNGLSEDSARN-CBKZDSQWSA-N 0 0 528.646 4.813 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 ZINC000012532605 553386813 /nfs/dbraw/zinc/38/68/13/553386813.db2.gz OVILFTGCZNONAF-UHFFFAOYSA-N 0 0 507.612 4.709 50 0 KJAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(C)cc3Br)c2)c1 ZINC000012532664 553386754 /nfs/dbraw/zinc/38/67/54/553386754.db2.gz WIJQHSHPIADWEJ-UHFFFAOYSA-N 0 0 517.401 4.662 50 0 KJAARN Cc1cccc(-n2c(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000012532766 553386983 /nfs/dbraw/zinc/38/69/83/553386983.db2.gz PJLDFRXFDLDIBQ-UHFFFAOYSA-N 0 0 517.636 4.858 50 0 KJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2ccc3ccccc3n2)cc1OC ZINC000012532802 553386951 /nfs/dbraw/zinc/38/69/51/553386951.db2.gz DHPWPHRUYANHEH-QFIPXVFZSA-N 0 0 501.564 4.848 50 0 KJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2ccc3ccccc3n2)cc1OC ZINC000012532803 553386963 /nfs/dbraw/zinc/38/69/63/553386963.db2.gz DHPWPHRUYANHEH-JOCHJYFZSA-N 0 0 501.564 4.848 50 0 KJAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c1C ZINC000012532807 553386999 /nfs/dbraw/zinc/38/69/99/553386999.db2.gz CKRZVLDDCDXAGO-UHFFFAOYSA-N 0 0 516.019 4.746 50 0 KJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1 ZINC000012532840 553387006 /nfs/dbraw/zinc/38/70/06/553387006.db2.gz DXTZHMKLGLIGJH-UHFFFAOYSA-N 0 0 517.969 4.818 50 0 KJAARN CCN(C(=O)CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012532980 553387178 /nfs/dbraw/zinc/38/71/78/553387178.db2.gz LPYQSVWSILHAMH-HSZRJFAPSA-N 0 0 526.728 4.655 50 0 KJAARN CCN(C(=O)CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000012532981 553387156 /nfs/dbraw/zinc/38/71/56/553387156.db2.gz LPYQSVWSILHAMH-QHCPKHFHSA-N 0 0 526.728 4.655 50 0 KJAARN CCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012533045 553387185 /nfs/dbraw/zinc/38/71/85/553387185.db2.gz FMGKTVMQNIGANZ-JOCHJYFZSA-N 0 0 518.749 4.876 50 0 KJAARN CCN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000012533047 553387170 /nfs/dbraw/zinc/38/71/70/553387170.db2.gz FMGKTVMQNIGANZ-QFIPXVFZSA-N 0 0 518.749 4.876 50 0 KJAARN Cc1ccc(N2C(=O)C[C@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)[C@@H]2c2cccs2)cc1 ZINC000012533078 553387144 /nfs/dbraw/zinc/38/71/44/553387144.db2.gz SOKGYXDMRCKYON-YADARESESA-N 0 0 514.611 4.713 50 0 KJAARN Cc1ccc(N2C(=O)C[C@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)[C@H]2c2cccs2)cc1 ZINC000012533079 553387131 /nfs/dbraw/zinc/38/71/31/553387131.db2.gz SOKGYXDMRCKYON-CYFREDJKSA-N 0 0 514.611 4.713 50 0 KJAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)[C@@H]2c2cccs2)cc1 ZINC000012533080 553387153 /nfs/dbraw/zinc/38/71/53/553387153.db2.gz SOKGYXDMRCKYON-NTKDMRAZSA-N 0 0 514.611 4.713 50 0 KJAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)[C@H]2c2cccs2)cc1 ZINC000012533081 553387188 /nfs/dbraw/zinc/38/71/88/553387188.db2.gz SOKGYXDMRCKYON-DVECYGJZSA-N 0 0 514.611 4.713 50 0 KJAARN O=C(CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1)NC[C@@H]1CCCO1 ZINC000012533273 553387402 /nfs/dbraw/zinc/38/74/02/553387402.db2.gz ILIMORCCORANOK-SFHVURJKSA-N 0 0 511.698 4.616 50 0 KJAARN O=C(CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1)NC[C@H]1CCCO1 ZINC000012533274 553387390 /nfs/dbraw/zinc/38/73/90/553387390.db2.gz ILIMORCCORANOK-GOSISDBHSA-N 0 0 511.698 4.616 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000012533315 553387360 /nfs/dbraw/zinc/38/73/60/553387360.db2.gz ZQAOYAJHYZSBJW-UHFFFAOYSA-N 0 0 504.655 4.693 50 0 KJAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC000012533317 553387358 /nfs/dbraw/zinc/38/73/58/553387358.db2.gz AAIFQMFLPHUDRS-CYBMUJFWSA-N 0 0 519.929 4.577 50 0 KJAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC000012533319 553387382 /nfs/dbraw/zinc/38/73/82/553387382.db2.gz AAIFQMFLPHUDRS-ZDUSSCGKSA-N 0 0 519.929 4.577 50 0 KJAARN CCOc1cc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000012533608 553387392 /nfs/dbraw/zinc/38/73/92/553387392.db2.gz SLXLBWBIRXVQMK-JQIJEIRASA-N 0 0 500.595 4.570 50 0 KJAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000012534689 553387610 /nfs/dbraw/zinc/38/76/10/553387610.db2.gz BGBJRGXTHZEQHD-UHFFFAOYSA-N 0 0 513.579 4.521 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(-c3nnco3)cc2)c1 ZINC000012537605 553387826 /nfs/dbraw/zinc/38/78/26/553387826.db2.gz GNZDXEUOGOJDME-UHFFFAOYSA-N 0 0 512.975 4.623 50 0 KJAARN COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000012537711 553388029 /nfs/dbraw/zinc/38/80/29/553388029.db2.gz IPPOOAWIKKEXMY-IBGZPJMESA-N 0 0 519.619 4.869 50 0 KJAARN COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000012537712 553387991 /nfs/dbraw/zinc/38/79/91/553387991.db2.gz IPPOOAWIKKEXMY-LJQANCHMSA-N 0 0 519.619 4.869 50 0 KJAARN CCOc1ccc(C(=O)NCC(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1OCC ZINC000012538034 553388011 /nfs/dbraw/zinc/38/80/11/553388011.db2.gz LPRZGBQWFIVTSY-HHHXNRCGSA-N 0 0 504.583 4.754 50 0 KJAARN CCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1OCC ZINC000012538036 553388033 /nfs/dbraw/zinc/38/80/33/553388033.db2.gz LPRZGBQWFIVTSY-MHZLTWQESA-N 0 0 504.583 4.754 50 0 KJAARN O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012538231 553388016 /nfs/dbraw/zinc/38/80/16/553388016.db2.gz XJJQAVCVOKWWEC-UHFFFAOYSA-N 0 0 519.602 4.553 50 0 KJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc(N2CCOCC2)cc1 ZINC000012538232 553388245 /nfs/dbraw/zinc/38/82/45/553388245.db2.gz IGOWNQGVJSOVRK-UHFFFAOYSA-N 0 0 510.019 4.807 50 0 KJAARN NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000012538296 553388260 /nfs/dbraw/zinc/38/82/60/553388260.db2.gz ZQCPIZYXLXSFNQ-UHFFFAOYSA-N 0 0 502.987 4.899 50 0 KJAARN Cc1cc2oc(=O)cc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)c2cc1C(C)C ZINC000012539136 553388412 /nfs/dbraw/zinc/38/84/12/553388412.db2.gz GJDAXEDOMSPCBK-UHFFFAOYSA-N 0 0 519.667 4.949 50 0 KJAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000012539163 553388341 /nfs/dbraw/zinc/38/83/41/553388341.db2.gz DDIJXKMWCJFCQB-UHFFFAOYSA-N 0 0 515.686 4.626 50 0 KJAARN COc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)cc1OC ZINC000012539384 553388546 /nfs/dbraw/zinc/38/85/46/553388546.db2.gz UNLYJZBRTCOXAZ-UHFFFAOYSA-N 0 0 510.015 4.524 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 ZINC000012539877 553388768 /nfs/dbraw/zinc/38/87/68/553388768.db2.gz FVYNLYZNBUZIHY-UHFFFAOYSA-N 0 0 508.596 4.757 50 0 KJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)n2)s1 ZINC000012540227 553388896 /nfs/dbraw/zinc/38/88/96/553388896.db2.gz SLSMPYRXZJNRNU-UHFFFAOYSA-N 0 0 503.609 4.987 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000012540298 553388906 /nfs/dbraw/zinc/38/89/06/553388906.db2.gz JDMWQMLZLZSPML-UHFFFAOYSA-N 0 0 520.607 4.589 50 0 KJAARN O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012540688 553389116 /nfs/dbraw/zinc/38/91/16/553389116.db2.gz OYLVRFQHFKRFOW-UHFFFAOYSA-N 0 0 515.923 4.943 50 0 KJAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000012540748 553389165 /nfs/dbraw/zinc/38/91/65/553389165.db2.gz GPYWFAUNGILVPP-UHFFFAOYSA-N 0 0 519.048 4.619 50 0 KJAARN CCCn1nc(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2C)c2ccccc2c1=O ZINC000012540846 553389151 /nfs/dbraw/zinc/38/91/51/553389151.db2.gz LMSBKFGOPUEKEB-UHFFFAOYSA-N 0 0 511.003 4.821 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 ZINC000012540930 553389084 /nfs/dbraw/zinc/38/90/84/553389084.db2.gz JAOQFFYDBRQYKW-UHFFFAOYSA-N 0 0 514.522 4.530 50 0 KJAARN COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)NC(=O)c2cccn2C)cc1 ZINC000012541331 553389501 /nfs/dbraw/zinc/38/95/01/553389501.db2.gz FSHONCSOMIGCLD-LVZFUZTISA-N 0 0 509.562 4.572 50 0 KJAARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1OC ZINC000012541426 553389479 /nfs/dbraw/zinc/38/94/79/553389479.db2.gz KURAMPGABMJSJS-UHFFFAOYSA-N 0 0 513.568 4.722 50 0 KJAARN CCCCc1ccc(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c2ccc(Br)cc2)cc1 ZINC000012541431 553389484 /nfs/dbraw/zinc/38/94/84/553389484.db2.gz ACTOFDSGVGWRMA-OAQYLSRUSA-N 0 0 521.477 4.825 50 0 KJAARN CCCCc1ccc(NC(=O)COC(=O)[C@H](CCSC)NC(=O)c2ccc(Br)cc2)cc1 ZINC000012541433 553389505 /nfs/dbraw/zinc/38/95/05/553389505.db2.gz ACTOFDSGVGWRMA-NRFANRHFSA-N 0 0 521.477 4.825 50 0 KJAARN CCCCn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1-c1ccc(OC)cc1 ZINC000012541511 553389706 /nfs/dbraw/zinc/38/97/06/553389706.db2.gz OABJVLKDYURTMS-UHFFFAOYSA-N 0 0 500.422 4.817 50 0 KJAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)CC2=O)cc1 ZINC000012541551 553389680 /nfs/dbraw/zinc/38/96/80/553389680.db2.gz NFUMFDYLMWYCMG-WMZHIEFXSA-N 0 0 505.958 4.515 50 0 KJAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)CC2=O)cc1 ZINC000012541554 553389701 /nfs/dbraw/zinc/38/97/01/553389701.db2.gz NFUMFDYLMWYCMG-AUSIDOKSSA-N 0 0 505.958 4.515 50 0 KJAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccco3)CC2=O)cc1 ZINC000012541557 553389654 /nfs/dbraw/zinc/38/96/54/553389654.db2.gz NFUMFDYLMWYCMG-CVDCTZTESA-N 0 0 505.958 4.515 50 0 KJAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccco3)CC2=O)cc1 ZINC000012541559 553389697 /nfs/dbraw/zinc/38/96/97/553389697.db2.gz NFUMFDYLMWYCMG-XXBNENTESA-N 0 0 505.958 4.515 50 0 KJAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000012542026 553390037 /nfs/dbraw/zinc/39/00/37/553390037.db2.gz WVSMTAVGZMAZDV-OAQYLSRUSA-N 0 0 522.941 4.588 50 0 KJAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012542028 553389979 /nfs/dbraw/zinc/38/99/79/553389979.db2.gz WVSMTAVGZMAZDV-NRFANRHFSA-N 0 0 522.941 4.588 50 0 KJAARN CCN(C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000012542147 553390195 /nfs/dbraw/zinc/39/01/95/553390195.db2.gz MYWAWOMDHCJRCJ-FQEVSTJZSA-N 0 0 504.077 4.629 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc2N2CCCCC2)cc1 ZINC000012542197 553390229 /nfs/dbraw/zinc/39/02/29/553390229.db2.gz ZIRLVYNVMPNTLJ-UHFFFAOYSA-N 0 0 523.611 4.510 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)ccc1C ZINC000012542236 553390199 /nfs/dbraw/zinc/39/01/99/553390199.db2.gz KIARDLJHFRJMCC-DEOSSOPVSA-N 0 0 501.693 4.716 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)c3ccc4[nH]c(=O)[nH]c4c3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000012542447 553390576 /nfs/dbraw/zinc/39/05/76/553390576.db2.gz VQKVZOHYVKTWFK-UHFFFAOYSA-N 0 0 510.579 4.959 50 0 KJAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)NC(=O)NC1CCCC1 ZINC000012542455 553390596 /nfs/dbraw/zinc/39/05/96/553390596.db2.gz UFTFKPNILZDLEN-CMDGGOBGSA-N 0 0 513.809 4.525 50 0 KJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)NC(=O)NC1CCCC1 ZINC000012542456 553390624 /nfs/dbraw/zinc/39/06/24/553390624.db2.gz CALLKLRWDJZVOU-MDZDMXLPSA-N 0 0 513.809 4.525 50 0 KJAARN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1N=C(c3ccc4ccccc4c3)C[C@@H]1c1ccccc1)CS2 ZINC000012542831 553390862 /nfs/dbraw/zinc/39/08/62/553390862.db2.gz BBJIQLMAUFEMPQ-MIHVYDCKSA-N 0 0 513.619 4.515 50 0 KJAARN C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1N=C(c3ccc4ccccc4c3)C[C@@H]1c1ccccc1)CS2 ZINC000012542835 553390847 /nfs/dbraw/zinc/39/08/47/553390847.db2.gz BBJIQLMAUFEMPQ-AHPZMPFVSA-N 0 0 513.619 4.515 50 0 KJAARN O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012546262 553391455 /nfs/dbraw/zinc/39/14/55/553391455.db2.gz UJTZNMIJIBNPAR-UHFFFAOYSA-N 0 0 508.987 4.950 50 0 KJAARN CCCCn1c2nc(-c3ccc(OCc4c(F)cccc4Cl)c(OCC)c3)n(C)c2c(=O)[nH]c1=O ZINC000012546561 553391585 /nfs/dbraw/zinc/39/15/85/553391585.db2.gz NZNVTFSNTPKUQP-UHFFFAOYSA-N 0 0 500.958 4.661 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc4ncsc4c3)ccc2N2CCCC2)cc1 ZINC000012546637 553391550 /nfs/dbraw/zinc/39/15/50/553391550.db2.gz JJPVPBFIJHUFOY-UHFFFAOYSA-N 0 0 508.625 4.958 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CSc3nnc(-c4ccccc4)o3)ccc2C)cc1 ZINC000012546663 553391901 /nfs/dbraw/zinc/39/19/01/553391901.db2.gz PZUSZFMCPKJLMA-UHFFFAOYSA-N 0 0 510.597 4.585 50 0 KJAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000012546684 553391900 /nfs/dbraw/zinc/39/19/00/553391900.db2.gz OWJHZMKWNMTENS-UHFFFAOYSA-N 0 0 513.667 4.698 50 0 KJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012546728 553391890 /nfs/dbraw/zinc/39/18/90/553391890.db2.gz IUKKATLBMJAPIW-UHFFFAOYSA-N 0 0 520.438 4.812 50 0 KJAARN C[C@@H](c1ccccc1)n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012546817 553392022 /nfs/dbraw/zinc/39/20/22/553392022.db2.gz OUOHILYAMGHQNE-FQEVSTJZSA-N 0 0 500.624 4.573 50 0 KJAARN C[C@H](c1ccccc1)n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012546818 553391956 /nfs/dbraw/zinc/39/19/56/553391956.db2.gz OUOHILYAMGHQNE-HXUWFJFHSA-N 0 0 500.624 4.573 50 0 KJAARN C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012546925 553392213 /nfs/dbraw/zinc/39/22/13/553392213.db2.gz GQHNLPZWFVRAAK-HXUWFJFHSA-N 0 0 514.557 4.699 50 0 KJAARN C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012546926 553392208 /nfs/dbraw/zinc/39/22/08/553392208.db2.gz GQHNLPZWFVRAAK-FQEVSTJZSA-N 0 0 514.557 4.699 50 0 KJAARN Nc1cccc2c1C(=O)N(CC(=O)N1N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]1c1cccs1)C2=O ZINC000012547052 1066497014 /nfs/dbraw/zinc/49/70/14/1066497014.db2.gz RVCRTRUAUARBOM-NGBXFXMPSA-N 0 0 502.621 4.811 50 0 KJAARN Nc1cccc2c1C(=O)N(CC(=O)N1N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]1c1cccs1)C2=O ZINC000012547054 1066496936 /nfs/dbraw/zinc/49/69/36/1066496936.db2.gz RVCRTRUAUARBOM-ZWRKILNWSA-N 0 0 502.621 4.811 50 0 KJAARN O=C(NC(=S)n1nc(NC(=O)c2ccc(Cl)cc2)n2c3ccccc3nc12)c1ccc(Cl)cc1 ZINC000012548297 553392281 /nfs/dbraw/zinc/39/22/81/553392281.db2.gz HLTFLZZCWRPJFF-UHFFFAOYSA-N 0 0 509.378 4.806 50 0 KJAARN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)n2)cc1OC ZINC000012549117 553392528 /nfs/dbraw/zinc/39/25/28/553392528.db2.gz GWSBCXYZOMWVQJ-UHFFFAOYSA-N 0 0 508.021 4.518 50 0 KJAARN CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1)C(C)C ZINC000012549145 553392507 /nfs/dbraw/zinc/39/25/07/553392507.db2.gz ZWDVJQNYEYPQIM-VWLOTQADSA-N 0 0 509.628 4.529 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 ZINC000012551732 553393127 /nfs/dbraw/zinc/39/31/27/553393127.db2.gz IQNGRZWNSOZBMK-UHFFFAOYSA-N 0 0 506.624 4.556 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)ccc1C ZINC000012555193 553393268 /nfs/dbraw/zinc/39/32/68/553393268.db2.gz QRAUYWLGMRFHAA-UHFFFAOYSA-N 0 0 504.703 4.640 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000012555405 553393333 /nfs/dbraw/zinc/39/33/33/553393333.db2.gz KGLISEOTOQQMAI-UHFFFAOYSA-N 0 0 515.031 4.762 50 0 KJAARN C[C@@H](NC(=O)Cn1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000012555657 553393596 /nfs/dbraw/zinc/39/35/96/553393596.db2.gz UTXXLBUXPXFXNI-HUZOGFBVSA-N 0 0 506.046 4.586 50 0 KJAARN C[C@H](NC(=O)Cn1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000012555659 553393588 /nfs/dbraw/zinc/39/35/88/553393588.db2.gz UTXXLBUXPXFXNI-CPLFSFDISA-N 0 0 506.046 4.586 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000012555736 553393582 /nfs/dbraw/zinc/39/35/82/553393582.db2.gz OEHMFRWSHHDZFJ-JQIJEIRASA-N 0 0 508.622 4.914 50 0 KJAARN C[C@@H]1N(C)c2cc(NC(=O)c3ccco3)c([P@@](=O)(Nc3ccccc3)N3CCOCC3)cc2C1(C)C ZINC000012558653 553393768 /nfs/dbraw/zinc/39/37/68/553393768.db2.gz QFVGEQQQFNIKTN-HYRWFULMSA-N 0 0 508.559 4.911 50 0 KJAARN C[C@H]1N(C)c2cc(NC(=O)c3ccco3)c([P@@](=O)(Nc3ccccc3)N3CCOCC3)cc2C1(C)C ZINC000012558656 553393671 /nfs/dbraw/zinc/39/36/71/553393671.db2.gz QFVGEQQQFNIKTN-LRFXEURWSA-N 0 0 508.559 4.911 50 0 KJAARN CCCn1nc2ccccc2c1P(=NC(=O)Nc1cccc(Cl)c1)(N1CCOCC1)N1CCOCC1 ZINC000012559322 553393924 /nfs/dbraw/zinc/39/39/24/553393924.db2.gz RGBIHJFVZNURAT-UHFFFAOYSA-N 0 0 530.997 4.653 50 0 KJAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000012559328 553393962 /nfs/dbraw/zinc/39/39/62/553393962.db2.gz IBFRIJCETXPJQR-UHFFFAOYSA-N 0 0 519.929 4.577 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N/C=C/n3cnc4cc(C(F)(F)F)ccc43)c2)C1 ZINC000012559801 553394220 /nfs/dbraw/zinc/39/42/20/553394220.db2.gz SHSYDWVJHFLGMN-PIIXRYACSA-N 0 0 506.550 4.580 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N/C=C/n3cnc4cc(C(F)(F)F)ccc43)c2)C1 ZINC000012559803 553394174 /nfs/dbraw/zinc/39/41/74/553394174.db2.gz SHSYDWVJHFLGMN-CWNHSUMWSA-N 0 0 506.550 4.580 50 0 KJAARN CCCn1nc2ccccc2c1P(=NC(=S)N1CCN(CC)CC1)(N1CCCCC1)N1CCCCC1 ZINC000012559874 553394176 /nfs/dbraw/zinc/39/41/76/553394176.db2.gz PEQZCIVUQOWCCM-UHFFFAOYSA-N 0 0 529.739 4.997 50 0 KJAARN O=C(COc1ccc(Cl)cc1Cl)N=P(C1CCCCC1)(N1CCOCC1)N1CCOCC1 ZINC000012559997 553394200 /nfs/dbraw/zinc/39/42/00/553394200.db2.gz JYNAOBWIXXTWMY-UHFFFAOYSA-N 0 0 504.395 4.927 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)C1 ZINC000012560837 553394319 /nfs/dbraw/zinc/39/43/19/553394319.db2.gz ZZTDYSSOZFLVHZ-OAHLLOKOSA-N 0 0 518.941 4.575 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)C1 ZINC000012560839 553394290 /nfs/dbraw/zinc/39/42/90/553394290.db2.gz ZZTDYSSOZFLVHZ-HNNXBMFYSA-N 0 0 518.941 4.575 50 0 KJAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000012561205 553394542 /nfs/dbraw/zinc/39/45/42/553394542.db2.gz UKDWBILPPWKXOB-UHFFFAOYSA-N 0 0 521.639 4.742 50 0 KJAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000012561232 553394547 /nfs/dbraw/zinc/39/45/47/553394547.db2.gz QRLCXLCTOXHVDY-UHFFFAOYSA-N 0 0 505.640 4.617 50 0 KJAARN CCOc1cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)cc(OCC)c1OCC ZINC000012561259 553394606 /nfs/dbraw/zinc/39/46/06/553394606.db2.gz RRHVZRFCRIJOAS-UHFFFAOYSA-N 0 0 533.691 4.766 50 0 KJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000012562500 553394951 /nfs/dbraw/zinc/39/49/51/553394951.db2.gz VZGAGAVLYZDSNF-SZPZYZBQSA-N 0 0 518.620 4.570 50 0 KJAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012562634 553394933 /nfs/dbraw/zinc/39/49/33/553394933.db2.gz HEXCLBXAEPFAST-UHFFFAOYSA-N 0 0 524.086 4.672 50 0 KJAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012562852 553395201 /nfs/dbraw/zinc/39/52/01/553395201.db2.gz MQRXWQAEKGQZOI-UHFFFAOYSA-N 0 0 527.042 4.901 50 0 KJAARN O=C(c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000012563113 553395308 /nfs/dbraw/zinc/39/53/08/553395308.db2.gz MDVBXNOMLPTFAC-QPJJXVBHSA-N 0 0 514.022 4.751 50 0 KJAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000012563172 553395523 /nfs/dbraw/zinc/39/55/23/553395523.db2.gz KRCRWPNJVQEBEW-UHFFFAOYSA-N 0 0 506.624 4.556 50 0 KJAARN 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O=S(=O)(c1cccc(-c2nn(CN3CCC(Cc4ccccc4)CC3)c(=S)o2)c1)N1CCCCC1 ZINC000012604324 553402182 /nfs/dbraw/zinc/40/21/82/553402182.db2.gz LSOFBPBRQYEJLZ-UHFFFAOYSA-N 0 0 512.701 4.959 50 0 KJAARN O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1)c1ccccc1Cl ZINC000012604454 553402207 /nfs/dbraw/zinc/40/22/07/553402207.db2.gz QBTDCCFZNWDCRH-UHFFFAOYSA-N 0 0 506.411 4.883 50 0 KJAARN CCOc1ccccc1NC(=O)COC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012604707 553402364 /nfs/dbraw/zinc/40/23/64/553402364.db2.gz NENZLFSMSHGDBR-UHFFFAOYSA-N 0 0 516.472 4.917 50 0 KJAARN CCOc1ccc(NC(=O)COC(=O)c2ccccc2OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000012604726 553402367 /nfs/dbraw/zinc/40/23/67/553402367.db2.gz GYQMJVQMIQJFGC-UHFFFAOYSA-N 0 0 512.946 4.560 50 0 KJAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000012608586 553402435 /nfs/dbraw/zinc/40/24/35/553402435.db2.gz NFOCHNLAJGKONQ-UHFFFAOYSA-N 0 0 500.624 4.570 50 0 KJAARN COc1cc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000012616194 553402739 /nfs/dbraw/zinc/40/27/39/553402739.db2.gz KJASHZLZKMFZNH-BQYQJAHWSA-N 0 0 522.667 4.553 50 0 KJAARN O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000012616458 553402745 /nfs/dbraw/zinc/40/27/45/553402745.db2.gz SKNBSEJQXYXWTA-SSEXGKCCSA-N 0 0 520.629 4.842 50 0 KJAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000012616462 553402742 /nfs/dbraw/zinc/40/27/42/553402742.db2.gz SKNBSEJQXYXWTA-PMERELPUSA-N 0 0 520.629 4.842 50 0 KJAARN COc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccc(CNC(C)=O)cc4)cs3)cs2)cc1OC ZINC000012616558 553402759 /nfs/dbraw/zinc/40/27/59/553402759.db2.gz YQOHTOTYCVSIKE-UHFFFAOYSA-N 0 0 508.625 4.768 50 0 KJAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)ccc2C)c1 ZINC000012616693 553402755 /nfs/dbraw/zinc/40/27/55/553402755.db2.gz FIPNLPRPKJEAJV-UHFFFAOYSA-N 0 0 508.383 4.602 50 0 KJAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000012616696 553402965 /nfs/dbraw/zinc/40/29/65/553402965.db2.gz MWFVFAGVCMZVAZ-GFCCVEGCSA-N 0 0 512.346 4.512 50 0 KJAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000012616700 553402959 /nfs/dbraw/zinc/40/29/59/553402959.db2.gz MWFVFAGVCMZVAZ-LBPRGKRZSA-N 0 0 512.346 4.512 50 0 KJAARN Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000012617356 553403008 /nfs/dbraw/zinc/40/30/08/553403008.db2.gz CZEGTEYXWZVCQK-UHFFFAOYSA-N 0 0 512.591 4.691 50 0 KJAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nc4cc(S(N)(=O)=O)ccc4n3CC)n2)cc1 ZINC000012617566 553402999 /nfs/dbraw/zinc/40/29/99/553402999.db2.gz JESPPOPOXUTFAK-CQSZACIVSA-N 0 0 515.686 4.509 50 0 KJAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nc4cc(S(N)(=O)=O)ccc4n3CC)n2)cc1 ZINC000012617570 553403014 /nfs/dbraw/zinc/40/30/14/553403014.db2.gz JESPPOPOXUTFAK-AWEZNQCLSA-N 0 0 515.686 4.509 50 0 KJAARN O=C(CNc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)cc1 ZINC000012618399 553403152 /nfs/dbraw/zinc/40/31/52/553403152.db2.gz WLIDDXHXTRKCLQ-UHFFFAOYSA-N 0 0 520.438 4.926 50 0 KJAARN Cc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000012620938 553403539 /nfs/dbraw/zinc/40/35/39/553403539.db2.gz OHYHQFFRADTBQV-UHFFFAOYSA-N 0 0 510.479 4.952 50 0 KJAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012621044 553403694 /nfs/dbraw/zinc/40/36/94/553403694.db2.gz XUNBSVFCMXEIHD-OBGWFSINSA-N 0 0 512.672 4.635 50 0 KJAARN Cc1ccc2cc(COC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c(Cl)nc2c1C ZINC000012621097 553403717 /nfs/dbraw/zinc/40/37/17/553403717.db2.gz VBHWYXHYIGWQOV-UHFFFAOYSA-N 0 0 509.411 4.536 50 0 KJAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1OCc1ccccc1Cl ZINC000012623194 553404050 /nfs/dbraw/zinc/40/40/50/553404050.db2.gz ZWEUCTREIDNLNR-UHFFFAOYSA-N 0 0 521.422 4.846 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000012623243 553404074 /nfs/dbraw/zinc/40/40/74/553404074.db2.gz IRUFNEKCGZKVDS-UHFFFAOYSA-N 0 0 511.600 4.743 50 0 KJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc(Cl)s2)c1 ZINC000012623345 553404332 /nfs/dbraw/zinc/40/43/32/553404332.db2.gz OIGBEXRVEHTKER-UHFFFAOYSA-N 0 0 514.408 4.928 50 0 KJAARN CCCCc1ccc(NC(=O)COC(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 ZINC000012623503 553404311 /nfs/dbraw/zinc/40/43/11/553404311.db2.gz ZOFSTNWXDRZCKY-UHFFFAOYSA-N 0 0 508.546 4.990 50 0 KJAARN CC[C@@H](C)c1ccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)cc1 ZINC000012623564 553404298 /nfs/dbraw/zinc/40/42/98/553404298.db2.gz AABGXAGZJQZALI-JOCHJYFZSA-N 0 0 521.621 4.609 50 0 KJAARN CC[C@H](C)c1ccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)cc1 ZINC000012623567 553404304 /nfs/dbraw/zinc/40/43/04/553404304.db2.gz AABGXAGZJQZALI-QFIPXVFZSA-N 0 0 521.621 4.609 50 0 KJAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccccc3-c3ccccc3)C2=O)cc1 ZINC000012624361 553404671 /nfs/dbraw/zinc/40/46/71/553404671.db2.gz VINVMXGRJHQQED-UHFFFAOYSA-N 0 0 521.573 4.805 50 0 KJAARN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)N(C)Cc3ccccc3)ccc2C)cc1 ZINC000012624442 553404628 /nfs/dbraw/zinc/40/46/28/553404628.db2.gz QFDHHHNBBMEMKK-UHFFFAOYSA-N 0 0 508.640 4.954 50 0 KJAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000012624568 553404635 /nfs/dbraw/zinc/40/46/35/553404635.db2.gz LXHCULGRSIEGOQ-GOSISDBHSA-N 0 0 516.652 4.913 50 0 KJAARN Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000012624570 553404675 /nfs/dbraw/zinc/40/46/75/553404675.db2.gz LXHCULGRSIEGOQ-SFHVURJKSA-N 0 0 516.652 4.913 50 0 KJAARN CCOc1ccc(NC(=O)c2ccc(NC(=S)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)cc1 ZINC000012624853 553404886 /nfs/dbraw/zinc/40/48/86/553404886.db2.gz ZAGAQIMKVUZETA-UHFFFAOYSA-N 0 0 512.657 4.705 50 0 KJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000012625711 553404948 /nfs/dbraw/zinc/40/49/48/553404948.db2.gz VXCLINHPVWEKKK-UHFFFAOYSA-N 0 0 523.615 4.583 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000012628179 553405026 /nfs/dbraw/zinc/40/50/26/553405026.db2.gz BCWRJOZCJGYLHV-DEOSSOPVSA-N 0 0 509.578 4.937 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000012628182 553405000 /nfs/dbraw/zinc/40/50/00/553405000.db2.gz BCWRJOZCJGYLHV-XMMPIXPASA-N 0 0 509.578 4.937 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000012628470 553405266 /nfs/dbraw/zinc/40/52/66/553405266.db2.gz BLWNQENTOPXFMS-QHCPKHFHSA-N 0 0 505.958 4.883 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000012628472 553405252 /nfs/dbraw/zinc/40/52/52/553405252.db2.gz BLWNQENTOPXFMS-HSZRJFAPSA-N 0 0 505.958 4.883 50 0 KJAARN CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000012629371 553405230 /nfs/dbraw/zinc/40/52/30/553405230.db2.gz LPBQVHHYQJBSBM-GRSHGNNSSA-N 0 0 505.390 4.840 50 0 KJAARN Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)c1C ZINC000012629546 553405247 /nfs/dbraw/zinc/40/52/47/553405247.db2.gz UFTSJJYDHTXSSX-UHFFFAOYSA-N 0 0 517.607 4.660 50 0 KJAARN COc1cccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)c1 ZINC000012629891 553405259 /nfs/dbraw/zinc/40/52/59/553405259.db2.gz NTCNSXQNCAUZRW-IBGZPJMESA-N 0 0 508.431 4.978 50 0 KJAARN COc1cccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)c1 ZINC000012629894 553405467 /nfs/dbraw/zinc/40/54/67/553405467.db2.gz NTCNSXQNCAUZRW-LJQANCHMSA-N 0 0 508.431 4.978 50 0 KJAARN Cc1ccc(=O)n([C@H](C(=O)c2ccc(F)cc2)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000012630209 553405455 /nfs/dbraw/zinc/40/54/55/553405455.db2.gz QJCDINXVCCTSJI-SSEXGKCCSA-N 0 0 523.608 4.654 50 0 KJAARN O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000012630377 553405566 /nfs/dbraw/zinc/40/55/66/553405566.db2.gz VNIRLQPAJCYKQK-UHFFFAOYSA-N 0 0 512.437 4.882 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000012630596 553405479 /nfs/dbraw/zinc/40/54/79/553405479.db2.gz YSMWUUJXXCZYBC-UHFFFAOYSA-N 0 0 519.711 4.835 50 0 KJAARN COc1ccc(C(C)=O)cc1COC(=O)c1cccnc1SCC(=O)Nc1ccccc1OC(F)F ZINC000012630849 553405508 /nfs/dbraw/zinc/40/55/08/553405508.db2.gz BGWOJNLGCANVSK-UHFFFAOYSA-N 0 0 516.522 4.982 50 0 KJAARN COc1cccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)c1OC ZINC000012631047 553405687 /nfs/dbraw/zinc/40/56/87/553405687.db2.gz WFLQHRAXSRCCND-UHFFFAOYSA-N 0 0 519.417 4.539 50 0 KJAARN COCCCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012631786 553405672 /nfs/dbraw/zinc/40/56/72/553405672.db2.gz XJQPMRXWYOKYNN-UHFFFAOYSA-N 0 0 514.475 4.650 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000012632968 553405907 /nfs/dbraw/zinc/40/59/07/553405907.db2.gz SELMDWICXMNRQA-MHZLTWQESA-N 0 0 513.594 4.952 50 0 KJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000012632970 553405933 /nfs/dbraw/zinc/40/59/33/553405933.db2.gz SELMDWICXMNRQA-HHHXNRCGSA-N 0 0 513.594 4.952 50 0 KJAARN COC[C@@H](C)n1c(SCC(=O)c2ccc(OC(F)F)cc2OC(F)F)nc2ccccc2c1=O ZINC000012634784 553406305 /nfs/dbraw/zinc/40/63/05/553406305.db2.gz XLCXVMWKISGQHL-GFCCVEGCSA-N 0 0 500.470 4.782 50 0 KJAARN COC[C@H](C)n1c(SCC(=O)c2ccc(OC(F)F)cc2OC(F)F)nc2ccccc2c1=O ZINC000012634787 553406323 /nfs/dbraw/zinc/40/63/23/553406323.db2.gz XLCXVMWKISGQHL-LBPRGKRZSA-N 0 0 500.470 4.782 50 0 KJAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000012635302 553406690 /nfs/dbraw/zinc/40/66/90/553406690.db2.gz ZFKWHSCAHVANRB-UHFFFAOYSA-N 0 0 518.639 4.732 50 0 KJAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3Cc3ccccc3)c12 ZINC000012637341 553407053 /nfs/dbraw/zinc/40/70/53/553407053.db2.gz IGIYHODTSIBXEY-JOCHJYFZSA-N 0 0 500.624 4.820 50 0 KJAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3Cc3ccccc3)c12 ZINC000012637348 553407072 /nfs/dbraw/zinc/40/70/72/553407072.db2.gz IGIYHODTSIBXEY-QFIPXVFZSA-N 0 0 500.624 4.820 50 0 KJAARN O=C(CSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OCO2 ZINC000012639878 553408094 /nfs/dbraw/zinc/40/80/94/553408094.db2.gz OVIXQCAXRNTBLV-UHFFFAOYSA-N 0 0 510.015 4.762 50 0 KJAARN COc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000012640908 553408285 /nfs/dbraw/zinc/40/82/85/553408285.db2.gz VMJWMCJLPZXPHD-AWEZNQCLSA-N 0 0 507.584 4.912 50 0 KJAARN COc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000012640913 553408297 /nfs/dbraw/zinc/40/82/97/553408297.db2.gz VMJWMCJLPZXPHD-CQSZACIVSA-N 0 0 507.584 4.912 50 0 KJAARN CCOc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000012644578 553408690 /nfs/dbraw/zinc/40/86/90/553408690.db2.gz ABSYHVMLSXUXNW-UHFFFAOYSA-N 0 0 508.017 4.521 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)COC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)cc1 ZINC000012645783 553409031 /nfs/dbraw/zinc/40/90/31/553409031.db2.gz QTGBPSBUXPQPEG-UHFFFAOYSA-N 0 0 501.626 4.802 50 0 KJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)N4CCCC4)c3)C2=O)cc1C ZINC000012648101 553409134 /nfs/dbraw/zinc/40/91/34/553409134.db2.gz NFJMYEUHPXDFKU-ITYLOYPMSA-N 0 0 501.608 4.728 50 0 KJAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2cccc(OC(F)F)c2)nc1C ZINC000012649291 553409362 /nfs/dbraw/zinc/40/93/62/553409362.db2.gz NLVBVPWJXJHMGC-UHFFFAOYSA-N 0 0 504.511 4.620 50 0 KJAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000012653067 553410198 /nfs/dbraw/zinc/41/01/98/553410198.db2.gz PJURYWFBJJAPMX-CLJLJLNGSA-N 0 0 502.611 4.593 50 0 biogenic KJAARN O=C(CSc1nnc(NC2CCCCC2)s1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012653119 553410128 /nfs/dbraw/zinc/41/01/28/553410128.db2.gz LNWMTIAVSZYTOT-UHFFFAOYSA-N 0 0 501.600 4.869 50 0 KJAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c1 ZINC000012653706 553410163 /nfs/dbraw/zinc/41/01/63/553410163.db2.gz FRQSKZHRNBNNKH-UHFFFAOYSA-N 0 0 517.652 4.571 50 0 KJAARN Cc1ccc(CNC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000012654330 553410398 /nfs/dbraw/zinc/41/03/98/553410398.db2.gz FMADLSZXHJDTMC-UHFFFAOYSA-N 0 0 500.473 4.505 50 0 KJAARN CCCCCCn1nc(C(=O)OCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)c2ccccc2c1=O ZINC000012654506 553410395 /nfs/dbraw/zinc/41/03/95/553410395.db2.gz GYVRYTHQAWPOOR-UHFFFAOYSA-N 0 0 513.616 4.627 50 0 KJAARN COc1ccccc1CCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000012655647 553410687 /nfs/dbraw/zinc/41/06/87/553410687.db2.gz JSGBMGVCNQEHNT-QHCPKHFHSA-N 0 0 518.610 4.526 50 0 biogenic KJAARN CCN(CC)S(=O)(=O)c1ccc(Nc2ccccc2OC)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000012656376 553410645 /nfs/dbraw/zinc/41/06/45/553410645.db2.gz AOOHPAKGVQDQSR-UHFFFAOYSA-N 0 0 503.646 4.579 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc2N2CCCC2)cc1 ZINC000012657365 553410761 /nfs/dbraw/zinc/41/07/61/553410761.db2.gz FHUPCIVEPCPNHM-UHFFFAOYSA-N 0 0 529.684 4.822 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)CCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012658032 553411026 /nfs/dbraw/zinc/41/10/26/553411026.db2.gz LSZWPUZLILTMQE-SBUREZEXSA-N 0 0 506.599 4.889 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000012658067 553411010 /nfs/dbraw/zinc/41/10/10/553411010.db2.gz HVKUERCSPJZIMW-UHFFFAOYSA-N 0 0 501.413 4.562 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2CCc2ccccc2)cc1 ZINC000012660126 553411733 /nfs/dbraw/zinc/41/17/33/553411733.db2.gz KFIJGALJDKCJSV-UHFFFAOYSA-N 0 0 529.666 4.764 50 0 KJAARN Cc1ccc([C@H](O)CNC(=O)CCC(=O)O[C@@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cn1 ZINC000012660463 553411751 /nfs/dbraw/zinc/41/17/51/553411751.db2.gz ZVCSWJZDRZUPCV-ISONSBRLSA-N 0 0 522.686 4.764 50 0 biogenic KJAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012660866 553411905 /nfs/dbraw/zinc/41/19/05/553411905.db2.gz LFKJNEFTXZGSOH-UHFFFAOYSA-N 0 0 523.026 4.647 50 0 KJAARN COC(=O)c1ccc(Oc2coc3cc(OC(=O)[C@H]4CCCN4C(=O)OC(C)(C)C)ccc3c2=O)cc1 ZINC000012660990 553412174 /nfs/dbraw/zinc/41/21/74/553412174.db2.gz GKBINEDJONDXSH-HXUWFJFHSA-N 0 0 509.511 4.677 50 0 KJAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 ZINC000012661331 553412171 /nfs/dbraw/zinc/41/21/71/553412171.db2.gz DDHZWPSFJDFKDR-DJMISNODSA-N 0 0 534.697 4.749 50 0 biogenic KJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000012662353 553412418 /nfs/dbraw/zinc/41/24/18/553412418.db2.gz PMFNNFMCELNYRP-IXXIRNOKSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000012662434 553412668 /nfs/dbraw/zinc/41/26/68/553412668.db2.gz GVFGORHLALSXTD-LBLHBGJRSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN COC(=O)c1ccc2c(c1)[nH]cc2C(Cc1ccc(C(=O)OC)cc1N)c1c[nH]c2cc(C(=O)OC)ccc21 ZINC000012664595 553412644 /nfs/dbraw/zinc/41/26/44/553412644.db2.gz JIUUKYYDMFLPQZ-UHFFFAOYSA-N 0 0 525.561 4.966 50 0 biogenic KJAARN C[C@@H](OC(C)(C)C)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC(C)(C)C ZINC000012680527 553412672 /nfs/dbraw/zinc/41/26/72/553412672.db2.gz GXFFWYHTMLFJPF-DYESRHJHSA-N 0 0 531.115 4.548 50 0 KJAARN C[C@H](OC(C)(C)C)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC(C)(C)C ZINC000012680536 553412648 /nfs/dbraw/zinc/41/26/48/553412648.db2.gz GXFFWYHTMLFJPF-LAUBAEHRSA-N 0 0 531.115 4.548 50 0 KJAARN C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC(C)(C)C ZINC000012680541 553412611 /nfs/dbraw/zinc/41/26/11/553412611.db2.gz GXFFWYHTMLFJPF-UTKZUKDTSA-N 0 0 531.115 4.548 50 0 KJAARN C[C@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC(C)(C)C ZINC000012680548 553412626 /nfs/dbraw/zinc/41/26/26/553412626.db2.gz GXFFWYHTMLFJPF-UWJYYQICSA-N 0 0 531.115 4.548 50 0 KJAARN Cc1ccc(-c2csc(NC(=O)COC(=O)CNC(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000012682152 553412800 /nfs/dbraw/zinc/41/28/00/553412800.db2.gz YCEYULORMWZQHO-UHFFFAOYSA-N 0 0 500.001 4.898 50 0 KJAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012682788 553412779 /nfs/dbraw/zinc/41/27/79/553412779.db2.gz HSBFFUZSJNYFFT-UHFFFAOYSA-N 0 0 501.988 4.719 50 0 KJAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(C)cc2C)cc1 ZINC000012690474 553412952 /nfs/dbraw/zinc/41/29/52/553412952.db2.gz IOVQIKRYQODLJW-UHFFFAOYSA-N 0 0 510.612 4.768 50 0 KJAARN O=C(Nc1ccccc1I)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012691179 553412982 /nfs/dbraw/zinc/41/29/82/553412982.db2.gz JQYYCZRMXXKNTN-UHFFFAOYSA-N 0 0 512.756 4.998 50 0 KJAARN Nn1c(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000012691744 553413005 /nfs/dbraw/zinc/41/30/05/553413005.db2.gz FIKLFFTVIYSAPY-UHFFFAOYSA-N 0 0 502.003 4.896 50 0 KJAARN CCn1c2ccccc2c2cc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc(OC(F)F)cc4)C3=O)ccc21 ZINC000012691898 553413003 /nfs/dbraw/zinc/41/30/03/553413003.db2.gz FTHKVACLFWMWKO-MHZLTWQESA-N 0 0 506.509 4.822 50 0 KJAARN CCn1c2ccccc2c2cc(NC(=O)CN3C(=O)N[C@](C)(c4ccc(OC(F)F)cc4)C3=O)ccc21 ZINC000012691903 553412998 /nfs/dbraw/zinc/41/29/98/553412998.db2.gz FTHKVACLFWMWKO-HHHXNRCGSA-N 0 0 506.509 4.822 50 0 KJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)cc1 ZINC000012693029 553412996 /nfs/dbraw/zinc/41/29/96/553412996.db2.gz FOLBQDPWIYRWDT-UHFFFAOYSA-N 0 0 516.038 4.903 50 0 KJAARN Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000012693042 553413040 /nfs/dbraw/zinc/41/30/40/553413040.db2.gz SGXXYWBBMKFQFF-UHFFFAOYSA-N 0 0 512.557 4.865 50 0 KJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccccc5Cl)CC4)cc3)o2)cc1 ZINC000012694496 553413176 /nfs/dbraw/zinc/41/31/76/553413176.db2.gz LIZCIXGSVWMWPH-UHFFFAOYSA-N 0 0 523.014 4.512 50 0 KJAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 ZINC000012694511 553413086 /nfs/dbraw/zinc/41/30/86/553413086.db2.gz UMZXJKDBJKWPPK-UHFFFAOYSA-N 0 0 508.379 4.771 50 0 KJAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)c(C)c1C ZINC000012695159 553413168 /nfs/dbraw/zinc/41/31/68/553413168.db2.gz QWLPQZPXLRUVOX-UHFFFAOYSA-N 0 0 516.667 4.714 50 0 KJAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1 ZINC000012700648 553413356 /nfs/dbraw/zinc/41/33/56/553413356.db2.gz NSTHDBNTFNNCJW-OAQYLSRUSA-N 0 0 502.640 4.686 50 0 KJAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1 ZINC000012700651 553413555 /nfs/dbraw/zinc/41/35/55/553413555.db2.gz NSTHDBNTFNNCJW-NRFANRHFSA-N 0 0 502.640 4.686 50 0 KJAARN Cc1c2ccccc2oc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000012700705 553413620 /nfs/dbraw/zinc/41/36/20/553413620.db2.gz LXCIPJHNJUFXGP-UHFFFAOYSA-N 0 0 504.992 4.755 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)nc1-c1ccccc1 ZINC000012700892 553413597 /nfs/dbraw/zinc/41/35/97/553413597.db2.gz GNQQWODAOSKSKJ-KRWDZBQOSA-N 0 0 513.641 4.802 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)nc1-c1ccccc1 ZINC000012700895 553413537 /nfs/dbraw/zinc/41/35/37/553413537.db2.gz GNQQWODAOSKSKJ-QGZVFWFLSA-N 0 0 513.641 4.802 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCCCC(=O)OC)c(Cl)cc1Cl ZINC000012746209 553420525 /nfs/dbraw/zinc/42/05/25/553420525.db2.gz BUUQYJUYRKCPEB-UHFFFAOYSA-N 0 0 501.432 4.672 50 0 KJAARN CCNC(=O)NC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000012750875 553420548 /nfs/dbraw/zinc/42/05/48/553420548.db2.gz JLRUTENYZYPEQN-QFIPXVFZSA-N 0 0 507.015 4.777 50 0 KJAARN CCNC(=O)NC(=O)[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000012750879 553420541 /nfs/dbraw/zinc/42/05/41/553420541.db2.gz JLRUTENYZYPEQN-JOCHJYFZSA-N 0 0 507.015 4.777 50 0 KJAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000012751606 553420565 /nfs/dbraw/zinc/42/05/65/553420565.db2.gz CQKJKMUAVVENJH-UHFFFAOYSA-N 0 0 523.442 4.880 50 0 KJAARN Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)c(=O)n(-c2ccccc2)n1C ZINC000012758142 553420512 /nfs/dbraw/zinc/42/05/12/553420512.db2.gz PUTAFCBISBQPLO-UHFFFAOYSA-N 0 0 525.030 4.524 50 0 KJAARN Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000012758146 553420789 /nfs/dbraw/zinc/42/07/89/553420789.db2.gz DVUTXCFMCYPGEC-UHFFFAOYSA-N 0 0 525.030 4.524 50 0 KJAARN COC(=O)c1cccc(S(=O)(=O)Oc2cc3ccccc3cc2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000012790286 553420813 /nfs/dbraw/zinc/42/08/13/553420813.db2.gz SDPYJPVDXIEUKT-UHFFFAOYSA-N 0 0 505.548 4.963 50 0 KJAARN CCOC(=O)/C=C/c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012790378 553420803 /nfs/dbraw/zinc/42/08/03/553420803.db2.gz HTLNICWVGDWBHO-LICLKQGHSA-N 0 0 513.015 4.746 50 0 KJAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000012800397 553420950 /nfs/dbraw/zinc/42/09/50/553420950.db2.gz SITFESMIYVFDJO-UHFFFAOYSA-N 0 0 521.683 4.583 50 0 KJAARN C[C@@H](OC(=O)c1oc2ccccc2c1CSC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012802585 553421050 /nfs/dbraw/zinc/42/10/50/553421050.db2.gz ZGOALXJKIVJRIG-MRXNPFEDSA-N 0 0 516.641 4.830 50 0 KJAARN C[C@H](OC(=O)c1oc2ccccc2c1CSC1CCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012802592 553420929 /nfs/dbraw/zinc/42/09/29/553420929.db2.gz ZGOALXJKIVJRIG-INIZCTEOSA-N 0 0 516.641 4.830 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 ZINC000012806975 553420968 /nfs/dbraw/zinc/42/09/68/553420968.db2.gz CWFPFOSUGUFMKO-UHFFFAOYSA-N 0 0 513.664 4.960 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1I ZINC000012843029 553421609 /nfs/dbraw/zinc/42/16/09/553421609.db2.gz WQSVTIUEKNQVEI-UHFFFAOYSA-N 0 0 517.392 4.567 50 0 KJAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccccc1F ZINC000012843102 553421549 /nfs/dbraw/zinc/42/15/49/553421549.db2.gz ZDRQDQDWMRGSNX-UHFFFAOYSA-N 0 0 503.024 4.630 50 0 KJAARN COc1ccc(CCNC(=O)c2cnn3c2N[C@H](c2ccccc2OC)C[C@@H]3C(F)(F)F)cc1OC ZINC000012845592 553421711 /nfs/dbraw/zinc/42/17/11/553421711.db2.gz ZFBCVHMJVCBBMA-PGRDOPGGSA-N 0 0 504.509 4.542 50 0 KJAARN COc1ccc(CCNC(=O)c2cnn3c2N[C@H](c2ccccc2OC)C[C@H]3C(F)(F)F)cc1OC ZINC000012845595 553421727 /nfs/dbraw/zinc/42/17/27/553421727.db2.gz ZFBCVHMJVCBBMA-AVRDEDQJSA-N 0 0 504.509 4.542 50 0 KJAARN COc1ccc(CCNC(=O)c2cnn3c2N[C@@H](c2ccccc2OC)C[C@@H]3C(F)(F)F)cc1OC ZINC000012845600 553421707 /nfs/dbraw/zinc/42/17/07/553421707.db2.gz ZFBCVHMJVCBBMA-XMSQKQJNSA-N 0 0 504.509 4.542 50 0 KJAARN COc1ccc(CCNC(=O)c2cnn3c2N[C@@H](c2ccccc2OC)C[C@H]3C(F)(F)F)cc1OC ZINC000012845604 553421703 /nfs/dbraw/zinc/42/17/03/553421703.db2.gz ZFBCVHMJVCBBMA-GCJKJVERSA-N 0 0 504.509 4.542 50 0 KJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccc(F)cc2)cc1 ZINC000012854260 553422065 /nfs/dbraw/zinc/42/20/65/553422065.db2.gz FKDQJZLPBSZQDJ-UHFFFAOYSA-N 0 0 507.381 4.821 50 0 KJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)c2ccc(F)cc2)cc1 ZINC000012854686 553422061 /nfs/dbraw/zinc/42/20/61/553422061.db2.gz LDLVADJOKONWKZ-UHFFFAOYSA-N 0 0 522.982 4.729 50 0 KJAARN COc1cc(C(=O)N(C)CCOc2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012854729 553422092 /nfs/dbraw/zinc/42/20/92/553422092.db2.gz OEJFKNXOQAVPDA-UHFFFAOYSA-N 0 0 502.489 4.883 50 0 KJAARN CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000012855873 553422321 /nfs/dbraw/zinc/42/23/21/553422321.db2.gz BAJCIXXBGWWOEV-UHFFFAOYSA-N 0 0 503.949 4.912 50 0 KJAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cc(Cl)ccc1Cl ZINC000012856011 553422310 /nfs/dbraw/zinc/42/23/10/553422310.db2.gz NFOFXMRPIHVLOJ-UHFFFAOYSA-N 0 0 503.411 4.676 50 0 KJAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000012856133 553422307 /nfs/dbraw/zinc/42/23/07/553422307.db2.gz DSFHIIBYRYMXAP-LJQANCHMSA-N 0 0 506.628 4.546 50 0 KJAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000012856138 553422300 /nfs/dbraw/zinc/42/23/00/553422300.db2.gz DSFHIIBYRYMXAP-IBGZPJMESA-N 0 0 506.628 4.546 50 0 KJAARN C[C@]1(C2=NO[C@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000012856931 553422474 /nfs/dbraw/zinc/42/24/74/553422474.db2.gz HNRFWQUBLBZFJG-BTDLBPIBSA-N 0 0 558.270 4.828 50 0 KJAARN C[C@@]1(C2=NO[C@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000012856937 553422447 /nfs/dbraw/zinc/42/24/47/553422447.db2.gz HNRFWQUBLBZFJG-DYZYQPBXSA-N 0 0 558.270 4.828 50 0 KJAARN C[C@]1(C2=NO[C@@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000012856947 553422412 /nfs/dbraw/zinc/42/24/12/553422412.db2.gz HNRFWQUBLBZFJG-QGHHPUGFSA-N 0 0 558.270 4.828 50 0 KJAARN C[C@@]1(C2=NO[C@@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000012856954 553422425 /nfs/dbraw/zinc/42/24/25/553422425.db2.gz HNRFWQUBLBZFJG-BMLIUANNSA-N 0 0 558.270 4.828 50 0 KJAARN CCOC(=O)C=C(NC(=O)Nc1cccc(C(F)(F)F)c1)NN(C)c1ncc(C(F)(F)F)cc1Cl ZINC000012858896 553422652 /nfs/dbraw/zinc/42/26/52/553422652.db2.gz RHDBYTKXUGEXNB-DHDCSXOGSA-N 0 0 525.837 4.940 50 0 KJAARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000012860817 553422927 /nfs/dbraw/zinc/42/29/27/553422927.db2.gz NJGWSWKGLBTOIW-RQMFYIHNSA-N 0 0 504.671 4.751 50 0 biogenic KJAARN COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5ccc(Cl)s5)CC4)c23)cc1 ZINC000012863262 553423150 /nfs/dbraw/zinc/42/31/50/553423150.db2.gz WRZMZVAIXOZXPO-UHFFFAOYSA-N 0 0 507.062 4.593 50 0 KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC[C@@H](C)c2ccccc2)C(=O)[C@]31C ZINC000012863359 553423139 /nfs/dbraw/zinc/42/31/39/553423139.db2.gz RZAAJOYUVVTPMO-KKIUXKEOSA-N 0 0 522.605 4.950 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC[C@H](C)c2ccccc2)C(=O)[C@]31C ZINC000012863370 553423124 /nfs/dbraw/zinc/42/31/24/553423124.db2.gz RZAAJOYUVVTPMO-RQZFFVEVSA-N 0 0 522.605 4.950 50 0 biogenic KJAARN CCc1ccc(C(=O)COC(=O)CCC2=N[C@@H]3SC4=C(CCCC4)[C@@H]3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000012863644 553423159 /nfs/dbraw/zinc/42/31/59/553423159.db2.gz OIVNDJFRJAPNSU-SQMFLSJESA-N 0 0 510.656 4.692 50 0 KJAARN CCc1ccc(C(=O)COC(=O)CCC2=N[C@@H]3SC4=C(CCCC4)[C@H]3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000012863664 553423099 /nfs/dbraw/zinc/42/30/99/553423099.db2.gz OIVNDJFRJAPNSU-MHBGZZOHSA-N 0 0 510.656 4.692 50 0 KJAARN COc1cccc(COc2ccc3c(C)c(CC(=O)N4CC[C@@]5(O)CCCC[C@H]5C4)c(=O)oc3c2C)c1 ZINC000012863748 553423148 /nfs/dbraw/zinc/42/31/48/553423148.db2.gz BSCVQOHXMYYUIK-CHJDUVSTSA-N 0 0 505.611 4.694 50 0 biogenic KJAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccc(OC)cc3)CC(=O)N21 ZINC000012864644 553423248 /nfs/dbraw/zinc/42/32/48/553423248.db2.gz GFVFCIZHEZTQNV-YZNIXAGQSA-N 0 0 509.606 4.503 50 0 biogenic KJAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccc(OC)cc3)CC(=O)N12 ZINC000012864651 553423307 /nfs/dbraw/zinc/42/33/07/553423307.db2.gz GFVFCIZHEZTQNV-FREGXXQWSA-N 0 0 509.606 4.503 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)Nc4cccc(OC)c4)cc2)C(=O)[C@]31C ZINC000012866156 553423501 /nfs/dbraw/zinc/42/35/01/553423501.db2.gz QGJGDHGSNCCJCX-LJAQVGFWSA-N 0 0 510.550 4.678 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)NCCCc4ccccc4)cc2)C(=O)[C@]31C ZINC000012866926 553423601 /nfs/dbraw/zinc/42/36/01/553423601.db2.gz KVJBVMDFMMZMIG-HKBQPEDESA-N 0 0 522.605 4.779 50 0 biogenic KJAARN O=C1CN(Cc2cccs2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Br)cc3)N12 ZINC000012869433 553423852 /nfs/dbraw/zinc/42/38/52/553423852.db2.gz XSQRSWYKZHAPMK-XUZZJYLKSA-N 0 0 506.425 4.877 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCCc2ccccc2)C(=O)[C@]31C ZINC000012870248 553424008 /nfs/dbraw/zinc/42/40/08/553424008.db2.gz MUQWUPNCTQWMCT-HKBQPEDESA-N 0 0 522.605 4.779 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3cccc(F)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012872584 553424206 /nfs/dbraw/zinc/42/42/06/553424206.db2.gz JOQLNGOHDIFJBA-QHCPKHFHSA-N 0 0 506.574 4.657 50 0 biogenic KJAARN COc1ccc(CCN2CC(=O)N3C[C@@H](c4ccc(C)cc4)c4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1OC ZINC000012872659 553424185 /nfs/dbraw/zinc/42/41/85/553424185.db2.gz XVQXACCXMAPYPE-BNHRFMORSA-N 0 0 523.633 4.768 50 0 biogenic KJAARN COc1ccc(CCN2CC(=O)N3C[C@H](c4ccc(C)cc4)c4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1OC ZINC000012872669 553424178 /nfs/dbraw/zinc/42/41/78/553424178.db2.gz XVQXACCXMAPYPE-QNLPTKCRSA-N 0 0 523.633 4.768 50 0 biogenic KJAARN CCCCOCCCN1CC(=O)N2C[C@@H](c3cccc(OC)c3OCC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873401 553424452 /nfs/dbraw/zinc/42/44/52/553424452.db2.gz ANMUHHNQQSBCKT-FWUCURJTSA-N 0 0 533.669 4.814 50 0 biogenic KJAARN CCCCOCCCN1CC(=O)N2C[C@H](c3cccc(OC)c3OCC)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873406 553424391 /nfs/dbraw/zinc/42/43/91/553424391.db2.gz ANMUHHNQQSBCKT-IPBJYNAHSA-N 0 0 533.669 4.814 50 0 biogenic KJAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000012873480 553424386 /nfs/dbraw/zinc/42/43/86/553424386.db2.gz QRAGGZVOVDIVCX-CHJDUVSTSA-N 0 0 501.627 4.939 50 0 biogenic KJAARN CCCOc1ccc([C@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000012873488 553424403 /nfs/dbraw/zinc/42/44/03/553424403.db2.gz QRAGGZVOVDIVCX-RCRUUEGKSA-N 0 0 501.627 4.939 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012873497 553424425 /nfs/dbraw/zinc/42/44/25/553424425.db2.gz PQDHLJDHVAXYRF-FWUCURJTSA-N 0 0 527.596 4.946 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012873505 553424428 /nfs/dbraw/zinc/42/44/28/553424428.db2.gz PQDHLJDHVAXYRF-IPBJYNAHSA-N 0 0 527.596 4.946 50 0 biogenic KJAARN CCc1ccc([C@@H]2CN3C(=O)CN(Cc4ccc(OC)c(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012873779 553424440 /nfs/dbraw/zinc/42/44/40/553424440.db2.gz RYVPPLAEPUBCPZ-BNHRFMORSA-N 0 0 523.633 4.979 50 0 biogenic KJAARN CCc1ccc([C@H]2CN3C(=O)CN(Cc4ccc(OC)c(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012873785 553424450 /nfs/dbraw/zinc/42/44/50/553424450.db2.gz RYVPPLAEPUBCPZ-QNLPTKCRSA-N 0 0 523.633 4.979 50 0 biogenic KJAARN CC(C)C[C@@H](C(=O)NCc1c(F)cccc1Cl)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012875599 553424746 /nfs/dbraw/zinc/42/47/46/553424746.db2.gz UXGUFLXOUKXKHV-CUNXSJBXSA-N 0 0 510.997 4.727 50 0 biogenic KJAARN CC(C)C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012875676 553424714 /nfs/dbraw/zinc/42/47/14/553424714.db2.gz AMQZAXAQQUMRDQ-CUNXSJBXSA-N 0 0 526.559 4.953 50 0 biogenic KJAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccc(Br)cc3)CN1C(=O)CN(Cc1ccco1)C2=O ZINC000012876598 553424715 /nfs/dbraw/zinc/42/47/15/553424715.db2.gz SERDFHHGTIOHEU-FNZWTVRRSA-N 0 0 504.384 4.755 50 0 biogenic KJAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccc(Br)cc3)CN1C(=O)CN(Cc1ccco1)C2=O ZINC000012876605 553424718 /nfs/dbraw/zinc/42/47/18/553424718.db2.gz SERDFHHGTIOHEU-IBVKSMDESA-N 0 0 504.384 4.755 50 0 biogenic KJAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(C[C@@H]4CCCO4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000012878628 553425071 /nfs/dbraw/zinc/42/50/71/553425071.db2.gz LINWQLATBBFZNW-KOVHPOKXSA-N 0 0 531.653 4.566 50 0 biogenic KJAARN CCCOc1ccc([C@H]2CN3C(=O)CN(C[C@@H]4CCCO4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000012878634 553425245 /nfs/dbraw/zinc/42/52/45/553425245.db2.gz LINWQLATBBFZNW-JYTFDMTESA-N 0 0 531.653 4.566 50 0 biogenic KJAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(C[C@H]4CCCO4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000012878639 553425267 /nfs/dbraw/zinc/42/52/67/553425267.db2.gz LINWQLATBBFZNW-HHKSPADHSA-N 0 0 531.653 4.566 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3ccccc3F)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012880195 553425255 /nfs/dbraw/zinc/42/52/55/553425255.db2.gz AAVHROOWTUQFMU-QHCPKHFHSA-N 0 0 506.574 4.657 50 0 biogenic KJAARN O=C(NC[C@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=O ZINC000012881826 553425722 /nfs/dbraw/zinc/42/57/22/553425722.db2.gz KNFHTQBFBWLJMB-NBYOPXRUSA-N 0 0 520.589 4.560 50 0 biogenic KJAARN O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=O ZINC000012881832 553425653 /nfs/dbraw/zinc/42/56/53/553425653.db2.gz KNFHTQBFBWLJMB-GHKAFPQUSA-N 0 0 520.589 4.560 50 0 biogenic KJAARN CCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(OC)cc3)N2C1=O ZINC000012882681 553425810 /nfs/dbraw/zinc/42/58/10/553425810.db2.gz KLSPAALDHJYYDV-BDYUSTAISA-N 0 0 508.578 4.799 50 0 biogenic KJAARN CCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(OC)c3)N2C1=O ZINC000012883198 553425824 /nfs/dbraw/zinc/42/58/24/553425824.db2.gz YXLWWSLYYFCUMN-BDYUSTAISA-N 0 0 508.578 4.799 50 0 biogenic KJAARN COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(C)cc3)N2C1=O ZINC000012883509 553425771 /nfs/dbraw/zinc/42/57/71/553425771.db2.gz ALHSXJDROXOAHM-XTEPFMGCSA-N 0 0 522.605 4.726 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1 ZINC000012883749 553425788 /nfs/dbraw/zinc/42/57/88/553425788.db2.gz ACHQQXBCGYQFNN-VSDOPOLSSA-N 0 0 512.654 4.618 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1 ZINC000012883759 553425751 /nfs/dbraw/zinc/42/57/51/553425751.db2.gz ACHQQXBCGYQFNN-ZYEPOGDBSA-N 0 0 512.654 4.618 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1 ZINC000012883767 553426007 /nfs/dbraw/zinc/42/60/07/553426007.db2.gz ACHQQXBCGYQFNN-WRRFIGKISA-N 0 0 512.654 4.618 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1 ZINC000012883771 553425987 /nfs/dbraw/zinc/42/59/87/553425987.db2.gz ACHQQXBCGYQFNN-KPUKOFIMSA-N 0 0 512.654 4.618 50 0 biogenic KJAARN COc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 ZINC000012887036 553426232 /nfs/dbraw/zinc/42/62/32/553426232.db2.gz LXSBXNBDXOZFEV-IBGZPJMESA-N 0 0 525.598 4.885 50 0 biogenic KJAARN COc1cc2c(c(OCC(=O)Nc3ccc4c(c3)OCCO4)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 ZINC000012887417 553426213 /nfs/dbraw/zinc/42/62/13/553426213.db2.gz PBHOUYWLCCQYKT-IBGZPJMESA-N 0 0 525.598 4.885 50 0 biogenic KJAARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCCC1 ZINC000012888197 553426329 /nfs/dbraw/zinc/42/63/29/553426329.db2.gz QEEYDUHHZBDGIS-ZXHWRMGRSA-N 0 0 541.729 4.838 50 0 biogenic KJAARN COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4c(OC)cc5c(c4oc3=O)CCC(C)(C)O5)c2c1 ZINC000012900696 553426736 /nfs/dbraw/zinc/42/67/36/553426736.db2.gz MTKDSWUSXFRSOK-UHFFFAOYSA-N 0 0 504.583 4.605 50 0 biogenic KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1OC ZINC000012906631 553426826 /nfs/dbraw/zinc/42/68/26/553426826.db2.gz BMZBLGWMDADUTD-FYWRMAATSA-N 0 0 514.557 4.806 50 0 KJAARN CCCCN(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012919335 553427377 /nfs/dbraw/zinc/42/73/77/553427377.db2.gz YOPCECPMRFPBAC-UHFFFAOYSA-N 0 0 503.578 4.720 50 0 KJAARN Cc1ccc2nc(CSc3nnc(-c4ccc(Br)o4)n3Cc3ccccc3)cc(=O)n2c1 ZINC000012922242 553427433 /nfs/dbraw/zinc/42/74/33/553427433.db2.gz HQLDLHSUVLEVLP-UHFFFAOYSA-N 0 0 508.401 4.958 50 0 KJAARN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000012923425 553427580 /nfs/dbraw/zinc/42/75/80/553427580.db2.gz ZPWQMLYYGKGJGJ-RUZDIDTESA-N 0 0 502.640 4.721 50 0 KJAARN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000012923432 553427418 /nfs/dbraw/zinc/42/74/18/553427418.db2.gz ZPWQMLYYGKGJGJ-VWLOTQADSA-N 0 0 502.640 4.721 50 0 KJAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000012936127 553427992 /nfs/dbraw/zinc/42/79/92/553427992.db2.gz OKRVCYSKNZZTQF-LJQANCHMSA-N 0 0 501.699 4.717 50 0 KJAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000012936134 553427937 /nfs/dbraw/zinc/42/79/37/553427937.db2.gz OKRVCYSKNZZTQF-IBGZPJMESA-N 0 0 501.699 4.717 50 0 KJAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)CSc1ccccc1C(=O)OC ZINC000012951176 553428355 /nfs/dbraw/zinc/42/83/55/553428355.db2.gz AZNIJCBSAITHAD-UHFFFAOYSA-N 0 0 530.649 4.783 50 0 KJAARN COCCOc1cc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(Cl)cc1Cl ZINC000012951263 553428537 /nfs/dbraw/zinc/42/85/37/553428537.db2.gz FDDLVZZNKRYPBW-UHFFFAOYSA-N 0 0 527.401 4.992 50 0 KJAARN COc1ccc(NC(=O)C(=O)c2cccn2-c2c(C(=O)Nc3ccc(OC)cc3)cnn2-c2ccccc2)cc1 ZINC000012952201 553428979 /nfs/dbraw/zinc/42/89/79/553428979.db2.gz NRRZRTGVEFXKNY-UHFFFAOYSA-N 0 0 535.560 4.754 50 0 KJAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)c(Cl)c1 ZINC000012953060 553429000 /nfs/dbraw/zinc/42/90/00/553429000.db2.gz VADRPZVJKNEXBD-UHFFFAOYSA-N 0 0 528.833 4.591 50 0 KJAARN COc1ccccc1N1CCN(Cc2nc3c(s2)CCc2c-3ccn2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012955037 553429354 /nfs/dbraw/zinc/42/93/54/553429354.db2.gz PFAUZMPQAYPAJU-UHFFFAOYSA-N 0 0 534.707 4.586 50 0 KJAARN O=C(c1ccc(C(F)(F)F)cc1)n1c(=O)oc2c1cc(I)cc2I ZINC000012957542 553429873 /nfs/dbraw/zinc/42/98/73/553429873.db2.gz NSTYZTYUNWTFJK-UHFFFAOYSA-N 0 0 559.019 4.511 50 0 KJAARN O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000012960002 553430568 /nfs/dbraw/zinc/43/05/68/553430568.db2.gz BSSJXTHBJIHMSC-XMMPIXPASA-N 0 0 508.500 4.862 50 0 KJAARN O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000012960009 553430565 /nfs/dbraw/zinc/43/05/65/553430565.db2.gz BSSJXTHBJIHMSC-DEOSSOPVSA-N 0 0 508.500 4.862 50 0 KJAARN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012972783 553431253 /nfs/dbraw/zinc/43/12/53/553431253.db2.gz IOZYBBBAJPOANB-OAQYLSRUSA-N 0 0 527.042 4.670 50 0 KJAARN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000012972786 553431176 /nfs/dbraw/zinc/43/11/76/553431176.db2.gz IOZYBBBAJPOANB-NRFANRHFSA-N 0 0 527.042 4.670 50 0 KJAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)Oc1ccc(N(C)S(=O)(=O)c4cc(C)ccc4C)cc1)(C3)C2 ZINC000012986582 553431633 /nfs/dbraw/zinc/43/16/33/553431633.db2.gz QOPSXOOSPNXCMG-LDCALFFHSA-N 0 0 510.656 4.509 50 0 KJAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)C(c3ccccc3)c3ccccc3)c2)CC1 ZINC000012998538 553431651 /nfs/dbraw/zinc/43/16/51/553431651.db2.gz MSUOVUHPKPAKSX-UHFFFAOYSA-N 0 0 512.075 4.528 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013005987 553432246 /nfs/dbraw/zinc/43/22/46/553432246.db2.gz VUFDPFKYOKNGKD-UHFFFAOYSA-N 0 0 503.621 4.622 50 0 KJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000013009361 553432227 /nfs/dbraw/zinc/43/22/27/553432227.db2.gz MZZPNLMQKHAZDQ-BUHFOSPRSA-N 0 0 501.537 4.772 50 0 KJAARN Cc1sc2ncnc(N3CCC(C(=O)N(C)CC(=O)Nc4ccccc4C(F)(F)F)CC3)c2c1C ZINC000013011673 553432409 /nfs/dbraw/zinc/43/24/09/553432409.db2.gz HRFSHKJHNMTXJD-UHFFFAOYSA-N 0 0 505.566 4.640 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3)c(NC(=O)c3cc(OC)cc(OC)c3)c2)cc1 ZINC000013014741 553432865 /nfs/dbraw/zinc/43/28/65/553432865.db2.gz LGNRYHMBNHBJIH-UHFFFAOYSA-N 0 0 525.627 4.756 50 0 KJAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3s2)cc1 ZINC000013015665 553432855 /nfs/dbraw/zinc/43/28/55/553432855.db2.gz UDJDGTGKUSYGIN-UHFFFAOYSA-N 0 0 512.560 4.941 50 0 KJAARN O=C1S[C@@H](Nc2ccccc2)C(=O)N1Cc1ccc(CN2C(=O)S[C@H](Nc3ccccc3)C2=O)cc1 ZINC000013016605 553433054 /nfs/dbraw/zinc/43/30/54/553433054.db2.gz FPKQKIADBHIRDF-SZPZYZBQSA-N 0 0 518.620 4.954 50 0 KJAARN Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000013016945 553432975 /nfs/dbraw/zinc/43/29/75/553432975.db2.gz HQSKRCHCFLAGDH-UHFFFAOYSA-N 0 0 507.431 4.704 50 0 KJAARN O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000013016958 553433018 /nfs/dbraw/zinc/43/30/18/553433018.db2.gz AQBHPWSESIJTPT-HXUWFJFHSA-N 0 0 503.548 4.720 50 0 KJAARN O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000013016960 553432987 /nfs/dbraw/zinc/43/29/87/553432987.db2.gz AQBHPWSESIJTPT-FQEVSTJZSA-N 0 0 503.548 4.720 50 0 KJAARN CCOC(=O)c1c(NC(=O)COC(=O)C=Cc2ccc(Br)c(Cl)c2)oc(C)c1C(C)=O ZINC000013016972 553433003 /nfs/dbraw/zinc/43/30/03/553433003.db2.gz FSWYFDKRYHFYMT-SOFGYWHQSA-N 0 0 512.740 4.578 50 0 KJAARN C[C@@H](NC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)c1ccc(F)cc1 ZINC000013017499 553433173 /nfs/dbraw/zinc/43/31/73/553433173.db2.gz UMVQBQMPJZCQOI-MRXNPFEDSA-N 0 0 500.665 4.511 50 0 KJAARN C[C@H](NC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)c1ccc(F)cc1 ZINC000013017503 553433200 /nfs/dbraw/zinc/43/32/00/553433200.db2.gz UMVQBQMPJZCQOI-INIZCTEOSA-N 0 0 500.665 4.511 50 0 KJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000013017804 553433182 /nfs/dbraw/zinc/43/31/82/553433182.db2.gz UXXUKLVJFKTCAV-UHFFFAOYSA-N 0 0 525.030 4.640 50 0 KJAARN CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013022750 553433397 /nfs/dbraw/zinc/43/33/97/553433397.db2.gz BFNTURXMJQRUTO-HHHXNRCGSA-N 0 0 501.696 4.780 50 0 KJAARN CSCC[C@H](NC(=O)c1ccccc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013022752 553433438 /nfs/dbraw/zinc/43/34/38/553433438.db2.gz BFNTURXMJQRUTO-MHZLTWQESA-N 0 0 501.696 4.780 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000013022812 553433390 /nfs/dbraw/zinc/43/33/90/553433390.db2.gz YAJBQYOZKKSPBT-UHFFFAOYSA-N 0 0 503.621 4.622 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1ccc(Br)cc1Br ZINC000013026730 553436279 /nfs/dbraw/zinc/43/62/79/553436279.db2.gz AGGJIWJMUYPNML-UHFFFAOYSA-N 0 0 507.273 4.579 50 0 KJAARN O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000013027427 553436838 /nfs/dbraw/zinc/43/68/38/553436838.db2.gz XCEGDYLAVNXLNC-UHFFFAOYSA-N 0 0 502.592 4.693 50 0 KJAARN O=C(CSc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)NC12CC3CC(CC(C3)C1)C2 ZINC000013027843 553437486 /nfs/dbraw/zinc/43/74/86/553437486.db2.gz DUMQBXVYFVOYDP-UHFFFAOYSA-N 0 0 512.745 4.579 50 0 KJAARN Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccc(Cl)cc4Cl)n(Cc4ccco4)c3nc12 ZINC000013029404 1066202113 /nfs/dbraw/zinc/20/21/13/1066202113.db2.gz FZYPTCBDCPOJSQ-UHFFFAOYSA-N 0 0 504.333 4.519 50 0 KJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2cc4[nH]c(=O)[nH]c4cc2Br)n1)CCCC3 ZINC000013039320 553443284 /nfs/dbraw/zinc/44/32/84/553443284.db2.gz IKUOCXJVQSDYPQ-UHFFFAOYSA-N 0 0 504.435 4.541 50 0 KJAARN COC(=O)c1c(COC(=O)/C(=C/c2ccccc2)n2nnnc2C)nc2ccccc2c1-c1ccccc1 ZINC000013057578 553443292 /nfs/dbraw/zinc/44/32/92/553443292.db2.gz ZNKDECPBXKEXAV-UQQQWYQISA-N 0 0 505.534 4.725 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013063094 553443521 /nfs/dbraw/zinc/44/35/21/553443521.db2.gz JJCNKKJLXTVJIU-UHFFFAOYSA-N 0 0 516.063 4.720 50 0 KJAARN O=C(c1ccc(-n2nncc2-c2ccc(Br)cc2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000013071058 553444770 /nfs/dbraw/zinc/44/47/70/553444770.db2.gz ONCVSMGUPQUJIF-UHFFFAOYSA-N 0 0 506.379 4.798 50 0 KJAARN CC(C)(C)c1ccc(OCc2nnc(SCc3nnc(-c4ccc(Br)cc4)o3)n2N)cc1 ZINC000013074986 553444772 /nfs/dbraw/zinc/44/47/72/553444772.db2.gz XDNHTNJVUGTIOO-UHFFFAOYSA-N 0 0 515.437 4.973 50 0 KJAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000013076011 553445031 /nfs/dbraw/zinc/44/50/31/553445031.db2.gz JIYSUJZLGZQGMS-UHFFFAOYSA-N 0 0 502.552 4.571 50 0 KJAARN Nn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1nnc(-c2ccccc2Br)o1 ZINC000013095155 553445783 /nfs/dbraw/zinc/44/57/83/553445783.db2.gz OOCQRKTXCMWYBJ-UHFFFAOYSA-N 0 0 512.414 4.944 50 0 KJAARN COc1cc(C(=O)COC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)ccc1OC(F)F ZINC000013095210 553445767 /nfs/dbraw/zinc/44/57/67/553445767.db2.gz OHIYAVLSUPSMDB-IBGZPJMESA-N 0 0 504.313 4.784 50 0 KJAARN COC(=O)c1ccc(C)c(NC(=O)CSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1 ZINC000013095444 553445770 /nfs/dbraw/zinc/44/57/70/553445770.db2.gz VZMQPTCOLDFPQP-UHFFFAOYSA-N 0 0 506.653 4.999 50 0 KJAARN O=C(COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)Nc1nnc(-c2ccccc2)o1 ZINC000013095468 553445758 /nfs/dbraw/zinc/44/57/58/553445758.db2.gz LLUFUWKRNAFXTD-UHFFFAOYSA-N 0 0 522.627 4.853 50 0 KJAARN O=C(CSc1ccccc1C(=O)Nc1ccccc1N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000013095568 553445976 /nfs/dbraw/zinc/44/59/76/553445976.db2.gz MAOGZMUNYTWKKL-UHFFFAOYSA-N 0 0 505.684 4.953 50 0 KJAARN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)c2)cc1 ZINC000013095584 553445889 /nfs/dbraw/zinc/44/58/89/553445889.db2.gz OJZMVDXXFXHUMF-UHFFFAOYSA-N 0 0 519.623 4.623 50 0 KJAARN Cc1csc(N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c2ccccc2)n1 ZINC000013095838 553445985 /nfs/dbraw/zinc/44/59/85/553445985.db2.gz VOTSFPJCTUPSPS-IAGOWNOFSA-N 0 0 506.049 4.881 50 0 KJAARN Cc1csc(N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)c2ccccc2)n1 ZINC000013095840 553445942 /nfs/dbraw/zinc/44/59/42/553445942.db2.gz VOTSFPJCTUPSPS-CALCHBBNSA-N 0 0 506.049 4.881 50 0 KJAARN Cc1csc(N(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c2ccccc2)n1 ZINC000013095841 553446129 /nfs/dbraw/zinc/44/61/29/553446129.db2.gz VOTSFPJCTUPSPS-IRXDYDNUSA-N 0 0 506.049 4.881 50 0 KJAARN Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nn1-c1ccc(Cl)cc1 ZINC000013095883 553446080 /nfs/dbraw/zinc/44/60/80/553446080.db2.gz JILLCTFORMMOQW-UHFFFAOYSA-N 0 0 513.303 4.577 50 0 KJAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cc4[nH]c(=O)[nH]c4cc3Br)o2)cc1 ZINC000013095940 553446091 /nfs/dbraw/zinc/44/60/91/553446091.db2.gz CNGXGIHCTNXPML-UHFFFAOYSA-N 0 0 502.394 4.697 50 0 KJAARN CCCCCn1nc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O ZINC000013096031 553446278 /nfs/dbraw/zinc/44/62/78/553446278.db2.gz AENCFTFHSCCXNJ-UHFFFAOYSA-N 0 0 508.928 4.970 50 0 KJAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000013096033 553446267 /nfs/dbraw/zinc/44/62/67/553446267.db2.gz DJBQAVXUFVCCDK-UHFFFAOYSA-N 0 0 511.847 4.992 50 0 KJAARN O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000013096267 553446426 /nfs/dbraw/zinc/44/64/26/553446426.db2.gz VGCOSJKNAGRAKL-UHFFFAOYSA-N 0 0 515.639 4.526 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)ccc1Cl ZINC000013096617 553446434 /nfs/dbraw/zinc/44/64/34/553446434.db2.gz LUMWGMPDJRBQEM-UHFFFAOYSA-N 0 0 508.946 4.667 50 0 KJAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)CC1 ZINC000013096849 553446483 /nfs/dbraw/zinc/44/64/83/553446483.db2.gz UWKQXVXKVYMRLK-UHFFFAOYSA-N 0 0 500.020 4.711 50 0 KJAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000013096866 553446471 /nfs/dbraw/zinc/44/64/71/553446471.db2.gz GISBNMIMKUSONT-UHFFFAOYSA-N 0 0 517.051 4.925 50 0 KJAARN COc1ccccc1-c1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000013096932 553446630 /nfs/dbraw/zinc/44/66/30/553446630.db2.gz HTQQOTDRDPYGHT-UHFFFAOYSA-N 0 0 514.913 4.607 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)Cc2ccccc2)cc1 ZINC000013096940 553446640 /nfs/dbraw/zinc/44/66/40/553446640.db2.gz RHYYFNPWAILYHK-UHFFFAOYSA-N 0 0 506.411 4.781 50 0 KJAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000013097039 553446624 /nfs/dbraw/zinc/44/66/24/553446624.db2.gz VRAFUMGZGPNDKX-UHFFFAOYSA-N 0 0 514.603 4.601 50 0 KJAARN O=C(COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)Nc1c(Cl)cccc1C(F)(F)F ZINC000013098063 553446780 /nfs/dbraw/zinc/44/67/80/553446780.db2.gz HVLFYEZAMIUOJD-UHFFFAOYSA-N 0 0 515.875 4.913 50 0 KJAARN COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3ncc(Cl)c(Cl)c3Cl)n2)c1 ZINC000013098148 553446802 /nfs/dbraw/zinc/44/68/02/553446802.db2.gz XJOVDJXIBPTYIW-UHFFFAOYSA-N 0 0 502.763 4.978 50 0 KJAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC000013098160 553446804 /nfs/dbraw/zinc/44/68/04/553446804.db2.gz VLPJHHODBWPUCZ-NDENLUEZSA-N 0 0 508.489 4.638 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000013098277 553446980 /nfs/dbraw/zinc/44/69/80/553446980.db2.gz RGLWPEANKSEGRK-HHHXNRCGSA-N 0 0 522.561 4.567 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000013098278 553446994 /nfs/dbraw/zinc/44/69/94/553446994.db2.gz RGLWPEANKSEGRK-MHZLTWQESA-N 0 0 522.561 4.567 50 0 KJAARN CCCn1c(=O)n(C)c(=O)c2c(SCc3csc(-c4cccc(OC)c4)n3)nc(CC(C)C)nc21 ZINC000013098376 553446949 /nfs/dbraw/zinc/44/69/49/553446949.db2.gz WHOQULHUCFIWEU-UHFFFAOYSA-N 0 0 511.673 4.523 50 0 KJAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccc3c(c1)oc(=O)cc3C(F)(F)F)C2=O ZINC000013098400 553446945 /nfs/dbraw/zinc/44/69/45/553446945.db2.gz FIFVINLKMWLNRG-UHFFFAOYSA-N 0 0 508.493 4.634 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)ccc2Cl)C[C@@H](C)O1 ZINC000013098536 553447165 /nfs/dbraw/zinc/44/71/65/553447165.db2.gz CSRJTMVWFMSLFM-IAGOWNOFSA-N 0 0 509.049 4.635 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)ccc2Cl)C[C@H](C)O1 ZINC000013098538 553447186 /nfs/dbraw/zinc/44/71/86/553447186.db2.gz CSRJTMVWFMSLFM-CALCHBBNSA-N 0 0 509.049 4.635 50 0 KJAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)ccc2Cl)C[C@H](C)O1 ZINC000013098539 553447170 /nfs/dbraw/zinc/44/71/70/553447170.db2.gz CSRJTMVWFMSLFM-IRXDYDNUSA-N 0 0 509.049 4.635 50 0 KJAARN COc1cc(-c2nnc(COC(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)o2)cc(OC)c1OC ZINC000013098570 553447181 /nfs/dbraw/zinc/44/71/81/553447181.db2.gz LNPMGIQMFMPQOB-UHFFFAOYSA-N 0 0 500.511 4.767 50 0 KJAARN COC(=O)c1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 ZINC000013098589 553447317 /nfs/dbraw/zinc/44/73/17/553447317.db2.gz UEROCZVCKMRGNP-UHFFFAOYSA-N 0 0 505.621 4.762 50 0 KJAARN CCc1cccc2c(C(=O)COC(=O)c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)c[nH]c21 ZINC000013098709 553447286 /nfs/dbraw/zinc/44/72/86/553447286.db2.gz OITAPZCODNSMJI-UHFFFAOYSA-N 0 0 504.514 4.935 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000013100362 553447513 /nfs/dbraw/zinc/44/75/13/553447513.db2.gz MTQUPAODEDUZFV-UHFFFAOYSA-N 0 0 502.596 4.732 50 0 KJAARN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013100790 553447730 /nfs/dbraw/zinc/44/77/30/553447730.db2.gz XEQXMFIKNSEULN-UHFFFAOYSA-N 0 0 506.444 4.503 50 0 KJAARN O=C1c2ccccc2C(=CNc2ccc(I)cc2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000013101901 1066220582 /nfs/dbraw/zinc/22/05/82/1066220582.db2.gz OEDIMCWCMOUZMK-UNOMPAQXSA-N 0 0 510.287 4.660 50 0 KJAARN CC(C)N(C(=O)CO[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1[C@@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000013102327 553447818 /nfs/dbraw/zinc/44/78/18/553447818.db2.gz DAHHAWNSAVMYJT-UHZLQASHSA-N 0 0 515.647 4.690 50 0 biogenic KJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000013102776 553447847 /nfs/dbraw/zinc/44/78/47/553447847.db2.gz BMUXWJMDJFQBKJ-UHFFFAOYSA-N 0 0 519.593 4.819 50 0 KJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccn3)cs2)ccc1OC ZINC000013109530 553448086 /nfs/dbraw/zinc/44/80/86/553448086.db2.gz LPQANBCJSYKPHV-UHFFFAOYSA-N 0 0 508.625 4.677 50 0 KJAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)c2)CC1 ZINC000013109583 553448080 /nfs/dbraw/zinc/44/80/80/553448080.db2.gz AYYAJVSGPFCKDF-UHFFFAOYSA-N 0 0 519.092 4.659 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc(Br)cc3)ccc2C)cc1 ZINC000013109740 553448216 /nfs/dbraw/zinc/44/82/16/553448216.db2.gz MMGDREJYCVAOAZ-UHFFFAOYSA-N 0 0 505.390 4.584 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000013109783 553448201 /nfs/dbraw/zinc/44/82/01/553448201.db2.gz YDHAGDNVMRGABV-HHHXNRCGSA-N 0 0 522.561 4.567 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000013109784 553448152 /nfs/dbraw/zinc/44/81/52/553448152.db2.gz YDHAGDNVMRGABV-MHZLTWQESA-N 0 0 522.561 4.567 50 0 KJAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(COC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)nc(=O)c12 ZINC000013109903 553448171 /nfs/dbraw/zinc/44/81/71/553448171.db2.gz KPZAUVWJJWZRNG-JWTNVVGKSA-N 0 0 507.612 4.601 50 0 KJAARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 ZINC000013110216 553448178 /nfs/dbraw/zinc/44/81/78/553448178.db2.gz AUAMHIPMWDHJOX-VAWYXSNFSA-N 0 0 512.353 4.792 50 0 KJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013112616 553448431 /nfs/dbraw/zinc/44/84/31/553448431.db2.gz CNDJQSBABPIZKX-UHFFFAOYSA-N 0 0 518.561 4.766 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013112899 553448421 /nfs/dbraw/zinc/44/84/21/553448421.db2.gz WVHGNMLDMJGNOT-UHFFFAOYSA-N 0 0 518.561 4.766 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013112901 553448401 /nfs/dbraw/zinc/44/84/01/553448401.db2.gz HQMOTOLBJXCQDX-UHFFFAOYSA-N 0 0 518.561 4.766 50 0 KJAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCN(c2ccccc2O)CC1 ZINC000013113068 553448535 /nfs/dbraw/zinc/44/85/35/553448535.db2.gz GKDAOMJBFHEOTP-UHFFFAOYSA-N 0 0 500.020 4.712 50 0 KJAARN CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)sc(C)c1-c1ccc(C)cc1 ZINC000013113078 553448554 /nfs/dbraw/zinc/44/85/54/553448554.db2.gz UVJMJNCEZIMNMM-UHFFFAOYSA-N 0 0 505.640 4.605 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccc(OC)c3)ccc2N2CCCCC2)cc1 ZINC000013113275 553448605 /nfs/dbraw/zinc/44/86/05/553448605.db2.gz PXHMMUCXAYEHDV-UHFFFAOYSA-N 0 0 509.628 4.676 50 0 KJAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000013113322 553448555 /nfs/dbraw/zinc/44/85/55/553448555.db2.gz OSFFWTSRNLFRCF-UHFFFAOYSA-N 0 0 512.031 4.642 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2ccc(-n3nncc3-c3ccc(Br)cc3)cc2)CC1 ZINC000013114414 553448755 /nfs/dbraw/zinc/44/87/55/553448755.db2.gz PMZSPCDBFXXPJE-UHFFFAOYSA-N 0 0 518.415 4.668 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000013115417 553448931 /nfs/dbraw/zinc/44/89/31/553448931.db2.gz AXMDPRFIMFLHSV-UHFFFAOYSA-N 0 0 500.520 4.624 50 0 KJAARN CCCCCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000013116955 553448907 /nfs/dbraw/zinc/44/89/07/553448907.db2.gz NPWDZAQDVXBDII-INIZCTEOSA-N 0 0 522.096 4.946 50 0 KJAARN CCCCCCn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000013116956 553448964 /nfs/dbraw/zinc/44/89/64/553448964.db2.gz NPWDZAQDVXBDII-MRXNPFEDSA-N 0 0 522.096 4.946 50 0 KJAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000013117002 553449019 /nfs/dbraw/zinc/44/90/19/553449019.db2.gz NBYIONGMMBBINN-UHFFFAOYSA-N 0 0 509.609 4.590 50 0 KJAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000013117695 553449087 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COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2N2CCCCC2)cc1 ZINC000013134756 553452498 /nfs/dbraw/zinc/45/24/98/553452498.db2.gz OATKZPVZYOMYQY-UHFFFAOYSA-N 0 0 525.627 4.756 50 0 KJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)n2)c1 ZINC000013134914 553452702 /nfs/dbraw/zinc/45/27/02/553452702.db2.gz TXEKKSSAMJWARU-UHFFFAOYSA-N 0 0 509.609 4.905 50 0 KJAARN Cc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013135375 553452635 /nfs/dbraw/zinc/45/26/35/553452635.db2.gz JVIHWZIEQMQQBD-HSZRJFAPSA-N 0 0 500.020 4.842 50 0 KJAARN Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013135376 553452658 /nfs/dbraw/zinc/45/26/58/553452658.db2.gz JVIHWZIEQMQQBD-QHCPKHFHSA-N 0 0 500.020 4.842 50 0 KJAARN CCOc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2OC)cc1 ZINC000013135378 553452837 /nfs/dbraw/zinc/45/28/37/553452837.db2.gz IVBSKPLGXRKDKL-UHFFFAOYSA-N 0 0 512.584 4.505 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000013137192 553453103 /nfs/dbraw/zinc/45/31/03/553453103.db2.gz LYCJFRFHHMSINT-UHFFFAOYSA-N 0 0 509.609 4.670 50 0 KJAARN NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000013137218 553453228 /nfs/dbraw/zinc/45/32/28/553453228.db2.gz IWKFTXXHAFSAMB-UHFFFAOYSA-N 0 0 504.340 4.559 50 0 KJAARN O=S(=O)(c1cccc(Br)c1)N1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000013137444 553453202 /nfs/dbraw/zinc/45/32/02/553453202.db2.gz SLOMGLVVHGDVHP-UHFFFAOYSA-N 0 0 515.458 4.632 50 0 KJAARN O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000013137794 553453242 /nfs/dbraw/zinc/45/32/42/553453242.db2.gz MAAHPQPAOJUSDV-UHFFFAOYSA-N 0 0 529.062 4.593 50 0 KJAARN COc1ccc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000013137891 553453219 /nfs/dbraw/zinc/45/32/19/553453219.db2.gz GWZDPVDLUQIFGC-UHFFFAOYSA-N 0 0 507.971 4.878 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000013137896 553453469 /nfs/dbraw/zinc/45/34/69/553453469.db2.gz CVMRRZGISWFYFQ-UHFFFAOYSA-N 0 0 512.440 4.699 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(NC(C)=O)ccc2OC)c1 ZINC000013137953 553453451 /nfs/dbraw/zinc/45/34/51/553453451.db2.gz HHYPMJSOVGOSTQ-UHFFFAOYSA-N 0 0 501.992 4.775 50 0 KJAARN Cc1c(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000013138127 553453615 /nfs/dbraw/zinc/45/36/15/553453615.db2.gz VQLFZDHEGZSZHF-UHFFFAOYSA-N 0 0 508.607 4.734 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2N2CCCCC2)cc1 ZINC000013138256 553453783 /nfs/dbraw/zinc/45/37/83/553453783.db2.gz QLKBIMUZCLQELS-UHFFFAOYSA-N 0 0 525.627 4.756 50 0 KJAARN CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)cc1 ZINC000013138283 553453798 /nfs/dbraw/zinc/45/37/98/553453798.db2.gz OFRSXVFYRFPQDZ-UHFFFAOYSA-N 0 0 519.417 4.838 50 0 KJAARN C[C@@H](OC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)NCCC1=CCCCC1 ZINC000013140320 553454137 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504.277 4.966 50 0 KJAARN COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000013145810 553454941 /nfs/dbraw/zinc/45/49/41/553454941.db2.gz RJWYAJZFUMHXRX-SFHVURJKSA-N 0 0 513.685 4.888 50 0 KJAARN COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000013145811 553454884 /nfs/dbraw/zinc/45/48/84/553454884.db2.gz RJWYAJZFUMHXRX-GOSISDBHSA-N 0 0 513.685 4.888 50 0 KJAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)cc1 ZINC000013146284 553455112 /nfs/dbraw/zinc/45/51/12/553455112.db2.gz DPKMTOHHHOFKJV-UHFFFAOYSA-N 0 0 527.668 4.531 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1 ZINC000013146461 553455326 /nfs/dbraw/zinc/45/53/26/553455326.db2.gz YBQLIGYHHPJLJC-UHFFFAOYSA-N 0 0 510.037 4.764 50 0 KJAARN CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1OC ZINC000013147607 553455449 /nfs/dbraw/zinc/45/54/49/553455449.db2.gz KQJKYQRLGLRQAE-UHFFFAOYSA-N 0 0 525.627 4.756 50 0 KJAARN CSc1cccc(NC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)c1 ZINC000013147689 553455458 /nfs/dbraw/zinc/45/54/58/553455458.db2.gz NZTGVCLCXQNYIV-DEOSSOPVSA-N 0 0 505.571 4.552 50 0 KJAARN C[C@@H]1CCc2c(sc3ncnc(OCC(=O)Nc4cc(C(F)(F)F)ccc4N4CCOCC4)c32)C1 ZINC000013147697 553455646 /nfs/dbraw/zinc/45/56/46/553455646.db2.gz PSUKKHJCNXUVBQ-CQSZACIVSA-N 0 0 506.550 4.689 50 0 KJAARN C[C@H]1CCc2c(sc3ncnc(OCC(=O)Nc4cc(C(F)(F)F)ccc4N4CCOCC4)c32)C1 ZINC000013147698 553455627 /nfs/dbraw/zinc/45/56/27/553455627.db2.gz PSUKKHJCNXUVBQ-AWEZNQCLSA-N 0 0 506.550 4.689 50 0 KJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)CC2 ZINC000013147927 553455636 /nfs/dbraw/zinc/45/56/36/553455636.db2.gz IILAOERWCMEMPU-QHCPKHFHSA-N 0 0 506.908 4.712 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)CC2 ZINC000013147928 553455607 /nfs/dbraw/zinc/45/56/07/553455607.db2.gz IILAOERWCMEMPU-HSZRJFAPSA-N 0 0 506.908 4.712 50 0 KJAARN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000013148273 553455798 /nfs/dbraw/zinc/45/57/98/553455798.db2.gz GVDLBUUXSXCUFT-QHCPKHFHSA-N 0 0 504.693 4.584 50 0 KJAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000013148274 553455771 /nfs/dbraw/zinc/45/57/71/553455771.db2.gz GVDLBUUXSXCUFT-HSZRJFAPSA-N 0 0 504.693 4.584 50 0 KJAARN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4OCC)CC3)ccc2C)cc1 ZINC000013148325 553455768 /nfs/dbraw/zinc/45/57/68/553455768.db2.gz WWSFSRNYZGLLAE-UHFFFAOYSA-N 0 0 523.655 4.556 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000013148466 553455988 /nfs/dbraw/zinc/45/59/88/553455988.db2.gz TYUFFOXSGYZVAX-UHFFFAOYSA-N 0 0 504.992 4.833 50 0 KJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000013148563 553455980 /nfs/dbraw/zinc/45/59/80/553455980.db2.gz JHGJYXCPORBGJO-UHFFFAOYSA-N 0 0 508.402 4.896 50 0 KJAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000013148569 553456028 /nfs/dbraw/zinc/45/60/28/553456028.db2.gz LWJMYRHKZPURSK-AGHHOFFYSA-N 0 0 506.676 4.944 50 0 KJAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000013148570 553456026 /nfs/dbraw/zinc/45/60/26/553456026.db2.gz LWJMYRHKZPURSK-XJABCFGWSA-N 0 0 506.676 4.944 50 0 KJAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C ZINC000013148571 553455937 /nfs/dbraw/zinc/45/59/37/553455937.db2.gz LWJMYRHKZPURSK-PIPMEXSNSA-N 0 0 506.676 4.944 50 0 KJAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C ZINC000013148572 553456016 /nfs/dbraw/zinc/45/60/16/553456016.db2.gz LWJMYRHKZPURSK-RBDMOPTHSA-N 0 0 506.676 4.944 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc2N2CCCCC2)cc1 ZINC000013148614 553456010 /nfs/dbraw/zinc/45/60/10/553456010.db2.gz WYQSUPKLVPWPMZ-UHFFFAOYSA-N 0 0 505.600 4.615 50 0 KJAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(C)ccc2C)cc1 ZINC000013148723 553455962 /nfs/dbraw/zinc/45/59/62/553455962.db2.gz DGEMBHDNWDXPOI-UHFFFAOYSA-N 0 0 510.612 4.768 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000013149011 553456109 /nfs/dbraw/zinc/45/61/09/553456109.db2.gz FYUZTQKHTZWLDY-UHFFFAOYSA-N 0 0 519.070 4.734 50 0 KJAARN CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3)C2=O)cc1 ZINC000013149304 553456378 /nfs/dbraw/zinc/45/63/78/553456378.db2.gz JYHWXISYTORGRY-UHFFFAOYSA-N 0 0 529.040 4.643 50 0 KJAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc2c(c1)NC(=O)CO2 ZINC000013149874 553456485 /nfs/dbraw/zinc/45/64/85/553456485.db2.gz XDQBRZYJTXTLKD-UHFFFAOYSA-N 0 0 503.605 4.632 50 0 KJAARN COc1ccc(OC)c(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000013150323 553456691 /nfs/dbraw/zinc/45/66/91/553456691.db2.gz CDAGINOCSKLICM-UHFFFAOYSA-N 0 0 511.003 4.749 50 0 KJAARN CCOc1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2OCC)cc(N2C(=O)CCC2=O)c1 ZINC000013154270 553456915 /nfs/dbraw/zinc/45/69/15/553456915.db2.gz UTAOPIJPJFXBNL-UHFFFAOYSA-N 0 0 501.539 4.642 50 0 KJAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)n(CC)c21 ZINC000013163061 553456899 /nfs/dbraw/zinc/45/68/99/553456899.db2.gz APLSKOICUCOTOI-SDORMZKBSA-N 0 0 501.674 4.529 50 0 KJAARN Cc1sc2ncnc(Sc3ccccc3C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)c2c1C ZINC000013163650 553457270 /nfs/dbraw/zinc/45/72/70/553457270.db2.gz TTZAJAAXDLDDSB-UHFFFAOYSA-N 0 0 505.577 4.830 50 0 KJAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000013163826 553457250 /nfs/dbraw/zinc/45/72/50/553457250.db2.gz IWFVLUCENNBZFW-LJQANCHMSA-N 0 0 508.644 4.720 50 0 KJAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000013163827 553457255 /nfs/dbraw/zinc/45/72/55/553457255.db2.gz IWFVLUCENNBZFW-IBGZPJMESA-N 0 0 508.644 4.720 50 0 KJAARN C[C@@H](NS(=O)(=O)c1cccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c1)c1ccccc1 ZINC000013164774 553457228 /nfs/dbraw/zinc/45/72/28/553457228.db2.gz ULIJQZUXODTMCT-OAQYLSRUSA-N 0 0 508.640 4.710 50 0 KJAARN C[C@H](NS(=O)(=O)c1cccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c1)c1ccccc1 ZINC000013164775 553457262 /nfs/dbraw/zinc/45/72/62/553457262.db2.gz ULIJQZUXODTMCT-NRFANRHFSA-N 0 0 508.640 4.710 50 0 KJAARN Cc1ccc(NC(=O)Cc2nc(COC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)cs2)cc1 ZINC000013165295 553457429 /nfs/dbraw/zinc/45/74/29/553457429.db2.gz ZIFDVNWHJHJNHT-UHFFFAOYSA-N 0 0 510.575 4.689 50 0 KJAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000013165399 553457437 /nfs/dbraw/zinc/45/74/37/553457437.db2.gz WYRHHAUXCXAOJQ-UHFFFAOYSA-N 0 0 511.500 4.730 50 0 KJAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000013165406 553457427 /nfs/dbraw/zinc/45/74/27/553457427.db2.gz TZMAQWPJALUDIZ-UHFFFAOYSA-N 0 0 512.031 4.642 50 0 KJAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013165409 553457446 /nfs/dbraw/zinc/45/74/46/553457446.db2.gz GGZCWFNLIKBUBU-UHFFFAOYSA-N 0 0 522.549 4.668 50 0 KJAARN COc1cc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000013282803 553457572 /nfs/dbraw/zinc/45/75/72/553457572.db2.gz KFGCXLJVOHVYES-VWLOTQADSA-N 0 0 500.555 4.565 50 0 KJAARN CCCCCOC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)OCCCCC)cc2)cc1 ZINC000013304311 553458119 /nfs/dbraw/zinc/45/81/19/553458119.db2.gz WNLDZGKLZBSFFZ-UHFFFAOYSA-N 0 0 506.617 4.744 50 0 KJAARN CC(C)c1ccc(NC(=O)CN2C(=O)C(c3cccs3)=NC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000013363112 553458603 /nfs/dbraw/zinc/45/86/03/553458603.db2.gz RGDALLYBSAPFOW-UHFFFAOYSA-N 0 0 510.660 4.869 50 0 KJAARN Cc1c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2cccs2)N3)c(=O)n(-c2ccccc2)n1C ZINC000013387922 553458995 /nfs/dbraw/zinc/45/89/95/553458995.db2.gz DYPAKLQEDQHBME-YJBOKZPZSA-N 0 0 502.522 4.655 50 0 KJAARN CCOc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000013389050 553458929 /nfs/dbraw/zinc/45/89/29/553458929.db2.gz ISNHLTWBYJRGSL-UHFFFAOYSA-N 0 0 516.710 4.911 50 0 KJAARN O=C([C@@H]1CC(c2c(Cl)cccc2Cl)=NO1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013394790 553459015 /nfs/dbraw/zinc/45/90/15/553459015.db2.gz MKKARSMKFKMISE-INIZCTEOSA-N 0 0 507.727 4.902 50 0 KJAARN O=C1[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000013395046 553458990 /nfs/dbraw/zinc/45/89/90/553458990.db2.gz UHHIVOAGOSKCQA-HKBOAZHASA-N 0 0 516.907 4.712 50 0 KJAARN C[C@@H](NC(=O)CCCCCCCCC(=O)N[C@@H](C)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000013424927 553459359 /nfs/dbraw/zinc/45/93/59/553459359.db2.gz PZRMTWUETISIOM-DEQMQSMYSA-N 0 0 524.658 4.797 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)sc2c1C[C@H](C)CC2 ZINC000013496480 553464246 /nfs/dbraw/zinc/46/42/46/553464246.db2.gz PQIBBLOREVCMCB-PETZXYHTSA-N 0 0 504.608 4.613 50 0 KJAARN O=c1/c(=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)sc2nc(-c3cccc(Cl)c3)nn12 ZINC000013510683 553467279 /nfs/dbraw/zinc/46/72/79/553467279.db2.gz NHCFMXKUFSZKLY-MRCUWXFGSA-N 0 0 505.386 4.590 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)OC2(CCCC2)OC3=O)cc1 ZINC000013512788 553467877 /nfs/dbraw/zinc/46/78/77/553467877.db2.gz FYDCOKDZCCELBK-VXNXHJTFSA-N 0 0 516.594 4.524 50 0 KJAARN O=C(NCc1ccccc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1 ZINC000013512893 553467938 /nfs/dbraw/zinc/46/79/38/553467938.db2.gz ISOUUYPLELEANY-SFQUDFHCSA-N 0 0 504.178 4.892 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1C ZINC000013513501 553467915 /nfs/dbraw/zinc/46/79/15/553467915.db2.gz PRWIRKCDAAXSSE-IWIPYMOSSA-N 0 0 509.566 4.675 50 0 KJAARN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013514004 553468074 /nfs/dbraw/zinc/46/80/74/553468074.db2.gz YSHCDVHRSBXTKW-ZRBLBEILSA-N 0 0 509.356 4.517 50 0 KJAARN Cc1cc(C(=O)COC(=O)C=Cc2ccc(Br)o2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000013522065 553468375 /nfs/dbraw/zinc/46/83/75/553468375.db2.gz VCLCASLMLNMQOB-LNENJAERSA-N 0 0 500.345 4.740 50 0 KJAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013525588 553468983 /nfs/dbraw/zinc/46/89/83/553468983.db2.gz MXFHZFRIFOVQNO-UHFFFAOYSA-N 0 0 501.340 4.667 50 0 KJAARN O=C(OCN1C(=O)c2ccccc2C1=O)c1c2c(nc3ccccc31)/C(=C/c1ccc3c(c1)OCO3)CC2 ZINC000013526208 1066372028 /nfs/dbraw/zinc/37/20/28/1066372028.db2.gz CMIZEMNAGWFUQN-QGOAFFKASA-N 0 0 504.498 4.861 50 0 KJAARN O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccc(-c4cccc(Cl)c4)o3)n(C[C@@H]3CCCO3)c21 ZINC000013526372 553469159 /nfs/dbraw/zinc/46/91/59/553469159.db2.gz PONUXKGEODUMHP-FQEVSTJZSA-N 0 0 502.958 4.694 50 0 KJAARN O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccc(-c4cccc(Cl)c4)o3)n(C[C@H]3CCCO3)c21 ZINC000013526376 553469119 /nfs/dbraw/zinc/46/91/19/553469119.db2.gz PONUXKGEODUMHP-HXUWFJFHSA-N 0 0 502.958 4.694 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nnc(Nc3ccccc3F)s2)ccc1C ZINC000013526970 553469318 /nfs/dbraw/zinc/46/93/18/553469318.db2.gz ROHWYUXOEROQPT-OAHLLOKOSA-N 0 0 523.681 4.879 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2nnc(Nc3ccccc3F)s2)ccc1C ZINC000013526974 553469353 /nfs/dbraw/zinc/46/93/53/553469353.db2.gz ROHWYUXOEROQPT-HNNXBMFYSA-N 0 0 523.681 4.879 50 0 KJAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013527186 553469313 /nfs/dbraw/zinc/46/93/13/553469313.db2.gz MTYLGPVSBUVQGF-JXMROGBWSA-N 0 0 505.636 4.780 50 0 KJAARN CCOc1cc(-c2nn(CN3CCN(c4ccc(F)cc4)CC3)c(=S)o2)cc(OCC)c1OCC ZINC000013527672 553469281 /nfs/dbraw/zinc/46/92/81/553469281.db2.gz ZHRXTDGFGNGDRM-UHFFFAOYSA-N 0 0 502.612 4.987 50 0 KJAARN COc1ccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000013527853 553469452 /nfs/dbraw/zinc/46/94/52/553469452.db2.gz NEISPUOTKKVUPM-UHFFFAOYSA-N 0 0 523.651 4.779 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000013541662 553469721 /nfs/dbraw/zinc/46/97/21/553469721.db2.gz HMWBKBVMLDNKON-ZIFWVBPMSA-N 0 0 504.995 4.888 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N2CCOCC2)cc1 ZINC000013551618 553470462 /nfs/dbraw/zinc/47/04/62/553470462.db2.gz OWFHJOXWLZGVMM-JWGURIENSA-N 0 0 500.473 4.604 50 0 KJAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccco1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000013552403 553470748 /nfs/dbraw/zinc/47/07/48/553470748.db2.gz BGKDRAJBUFXXQB-MGAZVUHYSA-N 0 0 513.185 4.685 50 0 KJAARN Cc1ccc2c(c1C)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000013555625 553471137 /nfs/dbraw/zinc/47/11/37/553471137.db2.gz DHYCXBQSTSCQEX-BAAZAXTHSA-N 0 0 512.009 4.971 50 0 KJAARN COc1cccc(NC(=O)CSc2nnc3c4c5c(sc4nc(SC)n23)COC(C)(C)C5)c1 ZINC000013555722 553471111 /nfs/dbraw/zinc/47/11/11/553471111.db2.gz LHNWNLDLZCWOMI-UHFFFAOYSA-N 0 0 501.659 4.652 50 0 KJAARN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000013556293 553471131 /nfs/dbraw/zinc/47/11/31/553471131.db2.gz DUPHXMZVLNBXOT-QHCPKHFHSA-N 0 0 521.566 4.604 50 0 KJAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000013556556 553471082 /nfs/dbraw/zinc/47/10/82/553471082.db2.gz VDKCXBMFXZEWES-BAAZAXTHSA-N 0 0 512.009 4.971 50 0 KJAARN CC(=O)c1ccc(NC(=O)[C@@H](SC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc2)cc1 ZINC000013572378 553474149 /nfs/dbraw/zinc/47/41/49/553474149.db2.gz OJTCWWYZSBPMCZ-GSPPDTAYSA-N 0 0 517.676 4.868 50 0 KJAARN CC(=O)c1ccc(NC(=O)[C@H](SC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc2)cc1 ZINC000013572380 553474089 /nfs/dbraw/zinc/47/40/89/553474089.db2.gz OJTCWWYZSBPMCZ-BORKOYIJSA-N 0 0 517.676 4.868 50 0 KJAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1nc(-c2ccccc2Cl)cs1 ZINC000013572565 553474257 /nfs/dbraw/zinc/47/42/57/553474257.db2.gz WBKGEYKMUNHBEE-CABCVRRESA-N 0 0 517.101 4.701 50 0 KJAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000013572598 553474283 /nfs/dbraw/zinc/47/42/83/553474283.db2.gz PBSUVWUPAULGHC-ZBFHGGJFSA-N 0 0 517.101 4.701 50 0 KJAARN Cc1sc(NC(=O)CSC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc1-c1ccc(C)cc1 ZINC000013572653 553474255 /nfs/dbraw/zinc/47/42/55/553474255.db2.gz WAXLFBDHLNRNPT-MJGOQNOKSA-N 0 0 510.710 4.665 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)c2ccccc2)cc1 ZINC000013574815 553474670 /nfs/dbraw/zinc/47/46/70/553474670.db2.gz FSBYMYNQEARXDX-VWLOTQADSA-N 0 0 503.576 4.524 50 0 KJAARN O=C(NC1CCCCCCC1)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1 ZINC000013575048 553474655 /nfs/dbraw/zinc/47/46/55/553474655.db2.gz HHEFGRNXHOVRNJ-NMWGTECJSA-N 0 0 527.712 4.989 50 0 KJAARN O=C(NCCC1=CCCCC1)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1 ZINC000013575059 553474609 /nfs/dbraw/zinc/47/46/09/553474609.db2.gz RZBYANDSASMWRS-NMWGTECJSA-N 0 0 525.696 4.766 50 0 KJAARN O=C(NCc1ccc(Cl)cc1)/C(=C/c1ccc(I)o1)NC(=O)c1ccccc1 ZINC000013575077 553474631 /nfs/dbraw/zinc/47/46/31/553474631.db2.gz SFIQESFHIBTGSV-PDGQHHTCSA-N 0 0 506.727 4.625 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)c2ccccc2)cc1 ZINC000013575884 553474861 /nfs/dbraw/zinc/47/48/61/553474861.db2.gz IJSMCPSYQFXRDB-AREMUKBSSA-N 0 0 517.603 4.914 50 0 KJAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2NC(C)=O)cc1Br ZINC000013576570 553475091 /nfs/dbraw/zinc/47/50/91/553475091.db2.gz UMFVCRQZPQAWLR-HAHDFKILSA-N 0 0 522.399 4.503 50 0 KJAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccccc1Cl ZINC000013576830 553475229 /nfs/dbraw/zinc/47/52/29/553475229.db2.gz JFTTWWYIRXDOQS-KRCALCKTSA-N 0 0 500.064 4.536 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccccc1Cl ZINC000013576833 553475221 /nfs/dbraw/zinc/47/52/21/553475221.db2.gz JFTTWWYIRXDOQS-VIXPVTTASA-N 0 0 500.064 4.536 50 0 KJAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccccc1Cl ZINC000013576834 553475201 /nfs/dbraw/zinc/47/52/01/553475201.db2.gz JFTTWWYIRXDOQS-NHKZQCCDSA-N 0 0 500.064 4.536 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccccc1Cl ZINC000013576837 553475192 /nfs/dbraw/zinc/47/51/92/553475192.db2.gz JFTTWWYIRXDOQS-RUOYCICXSA-N 0 0 500.064 4.536 50 0 KJAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000013576877 553475216 /nfs/dbraw/zinc/47/52/16/553475216.db2.gz ZUMKFFWHSFJJAS-BKSPAHHJSA-N 0 0 500.064 4.536 50 0 KJAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000013576880 553475206 /nfs/dbraw/zinc/47/52/06/553475206.db2.gz ZUMKFFWHSFJJAS-BPYKYCOYSA-N 0 0 500.064 4.536 50 0 KJAARN COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3)C(S(=O)(=O)c3cccc(Cl)c3)=C(N)N1CC2 ZINC000013576910 553475237 /nfs/dbraw/zinc/47/52/37/553475237.db2.gz VWYOFPNAEVPVSS-JOCHJYFZSA-N 0 0 509.027 4.955 50 0 KJAARN COc1cc2c(cc1OC)C1=C[C@@H](c3ccccc3)C(S(=O)(=O)c3cccc(Cl)c3)=C(N)N1CC2 ZINC000013576911 553475222 /nfs/dbraw/zinc/47/52/22/553475222.db2.gz VWYOFPNAEVPVSS-QFIPXVFZSA-N 0 0 509.027 4.955 50 0 KJAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2N)cc1OCc1ccccc1 ZINC000013576914 553475181 /nfs/dbraw/zinc/47/51/81/553475181.db2.gz BREZOWBIGQWMFX-IMRQLAEWSA-N 0 0 507.590 4.944 50 0 KJAARN O=C(NCc1ccccc1NC(=S)Nc1ccccc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000013577148 553475233 /nfs/dbraw/zinc/47/52/33/553475233.db2.gz DBGNFSABIWHWHM-ITYLOYPMSA-N 0 0 507.619 4.978 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000013577168 553475179 /nfs/dbraw/zinc/47/51/79/553475179.db2.gz CULPIPBAMDVJJT-VIXPVTTASA-N 0 0 500.064 4.536 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000013577171 553475204 /nfs/dbraw/zinc/47/52/04/553475204.db2.gz CULPIPBAMDVJJT-RUOYCICXSA-N 0 0 500.064 4.536 50 0 KJAARN O=C(CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1c(F)cc(Br)cc1F ZINC000013579931 553475518 /nfs/dbraw/zinc/47/55/18/553475518.db2.gz AHGQTSJNZNSLBY-HZPDHXFCSA-N 0 0 507.356 4.914 50 0 KJAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Br)c1 ZINC000013581782 553475795 /nfs/dbraw/zinc/47/57/95/553475795.db2.gz LCZPNCJISWGPPS-QFIPXVFZSA-N 0 0 511.376 4.501 50 0 KJAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013592611 553477192 /nfs/dbraw/zinc/47/71/92/553477192.db2.gz UAYDXQGAYOBHAF-UHFFFAOYSA-N 0 0 504.533 4.562 50 0 KJAARN C[C@@H](CCc1ccccc1)Nc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000013595522 553477137 /nfs/dbraw/zinc/47/71/37/553477137.db2.gz QIOYXAAVEVWOCD-KRWDZBQOSA-N 0 0 504.660 4.756 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000013596634 553477154 /nfs/dbraw/zinc/47/71/54/553477154.db2.gz KGDJCLIXFPGXAN-MVEZSNKKSA-N 0 0 522.605 4.614 50 0 KJAARN O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013598773 553477404 /nfs/dbraw/zinc/47/74/04/553477404.db2.gz ZHJKKJFZCXMXKG-JBOQNHBVSA-N 0 0 535.688 4.707 50 0 KJAARN COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)Nc4ccc(CN5CCOCC5)cc4)ccc32)cc1 ZINC000013607210 553477533 /nfs/dbraw/zinc/47/75/33/553477533.db2.gz VGYVCFBXMVEUFW-FQEVSTJZSA-N 0 0 514.578 4.707 50 0 biogenic KJAARN C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013609991 553477820 /nfs/dbraw/zinc/47/78/20/553477820.db2.gz GXKBESJCWFNWGM-LJQANCHMSA-N 0 0 504.533 4.772 50 0 KJAARN C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013609995 553477821 /nfs/dbraw/zinc/47/78/21/553477821.db2.gz GXKBESJCWFNWGM-IBGZPJMESA-N 0 0 504.533 4.772 50 0 KJAARN Cc1ccc(C)c(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000013616106 553478153 /nfs/dbraw/zinc/47/81/53/553478153.db2.gz LIHGUQHVXVXRJZ-PAYUHHOPSA-N 0 0 521.613 4.946 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)nc2-c2ccc(OC)c(OC)c2)cc1OC ZINC000013617213 553478157 /nfs/dbraw/zinc/47/81/57/553478157.db2.gz IZYSNNZFXDSRQU-UHFFFAOYSA-N 0 0 524.643 4.781 50 0 KJAARN CCCCOc1ccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OCC ZINC000013618370 553478134 /nfs/dbraw/zinc/47/81/34/553478134.db2.gz UBNFJZASICDTEQ-ZHZULCJRSA-N 0 0 500.418 4.706 50 0 KJAARN Cc1c(O)ccc2c(C)c(CC(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(=O)oc12 ZINC000013624081 553478297 /nfs/dbraw/zinc/47/82/97/553478297.db2.gz UQFXXEHHNACKHM-UHFFFAOYSA-N 0 0 518.560 4.870 50 0 KJAARN CC(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)c12 ZINC000013624978 553478263 /nfs/dbraw/zinc/47/82/63/553478263.db2.gz BZQVIZWQKOKLEQ-UHFFFAOYSA-N 0 0 524.617 4.811 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nccc(-c3ccc(OC)cc3)n2)c(C(=O)OCC)c1C ZINC000013642498 553479282 /nfs/dbraw/zinc/47/92/82/553479282.db2.gz GRRWDIRHBOEWQZ-UHFFFAOYSA-N 0 0 515.613 4.606 50 0 KJAARN CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000013647189 553480024 /nfs/dbraw/zinc/48/00/24/553480024.db2.gz VHNIXFNSSYLGBA-FQEVSTJZSA-N 0 0 506.347 4.933 50 0 KJAARN COc1ccc(CN2C(=S)N(Cc3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000013659730 553480703 /nfs/dbraw/zinc/48/07/03/553480703.db2.gz NDQAUFMXBPZLQZ-QFIPXVFZSA-N 0 0 524.042 4.884 50 0 KJAARN COc1ccc(CN2C(=S)N(Cc3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000013659733 553480651 /nfs/dbraw/zinc/48/06/51/553480651.db2.gz NDQAUFMXBPZLQZ-JOCHJYFZSA-N 0 0 524.042 4.884 50 0 KJAARN CN(Cc1ccc(OC(F)F)cc1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000013683025 553484930 /nfs/dbraw/zinc/48/49/30/553484930.db2.gz OGLVYALPLFPIMI-UHFFFAOYSA-N 0 0 503.141 4.682 50 0 KJAARN O=C(C[C@H]1C(=O)N(CCc2ccccc2)C(=S)N1Cc1ccco1)Nc1ccc(Br)cc1 ZINC000013689209 553485665 /nfs/dbraw/zinc/48/56/65/553485665.db2.gz ZGLVFEFZPSXCHS-NRFANRHFSA-N 0 0 512.429 4.611 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 ZINC000013748313 553487550 /nfs/dbraw/zinc/48/75/50/553487550.db2.gz ODMPCRVJFRVHDE-JLPGSUDCSA-N 0 0 509.566 4.756 50 0 KJAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000013749006 553487597 /nfs/dbraw/zinc/48/75/97/553487597.db2.gz KLIXSFPQTBGDOY-VOIUYBSRSA-N 0 0 518.031 4.932 50 0 KJAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000013749009 553487571 /nfs/dbraw/zinc/48/75/71/553487571.db2.gz KLIXSFPQTBGDOY-UPCLLVRISA-N 0 0 518.031 4.932 50 0 KJAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000013749011 553487591 /nfs/dbraw/zinc/48/75/91/553487591.db2.gz KLIXSFPQTBGDOY-FYSMJZIKSA-N 0 0 518.031 4.932 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1F ZINC000013749160 553487659 /nfs/dbraw/zinc/48/76/59/553487659.db2.gz XETAQISCLNAYGU-UCQKPKSFSA-N 0 0 513.529 4.505 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1 ZINC000013749730 553487670 /nfs/dbraw/zinc/48/76/70/553487670.db2.gz WJFJAYQNSPQGQN-UQQQWYQISA-N 0 0 505.603 4.926 50 0 KJAARN CCOc1ccc(/C=C(/NC(=O)c2ccccc2C)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC ZINC000013750135 553487672 /nfs/dbraw/zinc/48/76/72/553487672.db2.gz LPIULOTWAXYKGL-JJIBRWJFSA-N 0 0 502.567 4.989 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)cc1C ZINC000013750260 553487697 /nfs/dbraw/zinc/48/76/97/553487697.db2.gz UKRZQFMTMHYCEC-XYGWBWBKSA-N 0 0 521.602 4.544 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)cc1 ZINC000013750581 553487968 /nfs/dbraw/zinc/48/79/68/553487968.db2.gz MYMJABQUHZNHKA-UQQQWYQISA-N 0 0 521.602 4.626 50 0 KJAARN O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)c1)N1CCOCC1 ZINC000013751449 553487983 /nfs/dbraw/zinc/48/79/83/553487983.db2.gz VLSXKAPYEXGODM-DQSJHHFOSA-N 0 0 505.665 4.713 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 ZINC000013752287 553488140 /nfs/dbraw/zinc/48/81/40/553488140.db2.gz DXICENRIOINOKU-UQQQWYQISA-N 0 0 505.603 4.926 50 0 KJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3c(Br)cc(C)cc3Br)n2N)c1 ZINC000013757618 553488281 /nfs/dbraw/zinc/48/82/81/553488281.db2.gz GCYOWHNKTMOYFO-UHFFFAOYSA-N 0 0 511.243 4.532 50 0 KJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCN(Cc1ccccc1)C3 ZINC000013763490 553488758 /nfs/dbraw/zinc/48/87/58/553488758.db2.gz LWNHIHGTIBCCTF-UHFFFAOYSA-N 0 0 521.664 4.669 50 0 KJAARN COc1ccc(CCn2cnc3c(c2=N)[C@@H](c2ccc(OC)c(OC)c2)c2ccc(O)cc2O3)cc1OC ZINC000013768273 553489210 /nfs/dbraw/zinc/48/92/10/553489210.db2.gz NOFMPHSKSVRBJJ-SANMLTNESA-N 0 0 515.566 4.631 50 0 KJAARN COC(=O)c1c(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000013769213 553489218 /nfs/dbraw/zinc/48/92/18/553489218.db2.gz RHERRZJDVNWUSM-AHCMPFEKSA-N 0 0 512.672 4.729 50 0 biogenic,in-vitro KJAARN COc1ccc(CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)cs/c2=N\c2ccccc2)cc1OC ZINC000013769536 553489207 /nfs/dbraw/zinc/48/92/07/553489207.db2.gz PHBXJUZDEOMFSE-DQSJHHFOSA-N 0 0 523.680 4.959 50 0 KJAARN O=C(CCC(=O)N1CCN(CCOc2cccc3ccccc32)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000013770470 553489477 /nfs/dbraw/zinc/48/94/77/553489477.db2.gz FUWHPRAMKSPOPW-UHFFFAOYSA-N 0 0 521.687 4.681 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000013774528 553489559 /nfs/dbraw/zinc/48/95/59/553489559.db2.gz PHEAVRIKTARNEQ-OWXSRONMSA-N 0 0 517.006 4.854 50 0 KJAARN COc1ccc(CCN(C(=O)c2cccc(F)c2)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000013775131 553489827 /nfs/dbraw/zinc/48/98/27/553489827.db2.gz FLERXDQYZDLKSS-JOCHJYFZSA-N 0 0 510.949 4.513 50 0 KJAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(COC5=CC=CC[C@@H]5OC)nc4c32)cc1OC ZINC000013776106 553490067 /nfs/dbraw/zinc/49/00/67/553490067.db2.gz XNSJZUZCIYFZKA-DFBJGRDBSA-N 0 0 514.538 4.508 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3Cc3cccnc3)c2)C[C@H](C)O1 ZINC000013779346 553490459 /nfs/dbraw/zinc/49/04/59/553490459.db2.gz QXYPJCSAXAIXNY-GIHDVYHASA-N 0 0 520.680 4.690 50 0 KJAARN 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 ZINC000013783535 553490445 /nfs/dbraw/zinc/49/04/45/553490445.db2.gz WOFMFGQZHJDGCX-ZPZHTWQZSA-N 0 0 521.437 4.869 50 0 in-vitro KJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1 ZINC000013785787 553490609 /nfs/dbraw/zinc/49/06/09/553490609.db2.gz QUGMUXRJISZJJC-UQQQWYQISA-N 0 0 520.618 4.792 50 0 KJAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccnc4)nn3c2=O)ccc1OC(C)C ZINC000013785884 553490581 /nfs/dbraw/zinc/49/05/81/553490581.db2.gz LDJIDJGZPGUAKX-MYYYXRDXSA-N 0 0 520.618 4.709 50 0 KJAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000013787662 553490733 /nfs/dbraw/zinc/49/07/33/553490733.db2.gz DPUALGDKCIYXHO-AWEZNQCLSA-N 0 0 517.471 4.882 50 0 KJAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc(OC)c1OC ZINC000013788291 553491046 /nfs/dbraw/zinc/49/10/46/553491046.db2.gz ORNQRVQPUKWWID-REUBFRLUSA-N 0 0 510.546 4.917 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000013801018 553491374 /nfs/dbraw/zinc/49/13/74/553491374.db2.gz MUUKIXLVDDEOJI-QFXGEWDLSA-N 0 0 507.036 4.651 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1C ZINC000013801288 553491324 /nfs/dbraw/zinc/49/13/24/553491324.db2.gz CIAZGWRILUDSLV-UQQQWYQISA-N 0 0 520.618 4.711 50 0 KJAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(N(C[C@@H](C)O)C[C@@H](C)O)n1 ZINC000013805230 553491782 /nfs/dbraw/zinc/49/17/82/553491782.db2.gz ZFHAEJSHNVZVMB-HUUCEWRRSA-N 0 0 504.722 4.579 50 0 KJAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(N(C[C@@H](C)O)C[C@H](C)O)n1 ZINC000013805233 553491786 /nfs/dbraw/zinc/49/17/86/553491786.db2.gz ZFHAEJSHNVZVMB-GASCZTMLSA-N 0 0 504.722 4.579 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1C ZINC000013810077 553492137 /nfs/dbraw/zinc/49/21/37/553492137.db2.gz MZZCPLHZQSNNRO-XYGWBWBKSA-N 0 0 520.618 4.711 50 0 KJAARN O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1)N1CCOCC1 ZINC000013810168 553492106 /nfs/dbraw/zinc/49/21/06/553492106.db2.gz AWZHVSQORHBHLN-DQSJHHFOSA-N 0 0 505.665 4.713 50 0 KJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 ZINC000013810267 553492383 /nfs/dbraw/zinc/49/23/83/553492383.db2.gz INZSPHYZFQYJOQ-BWAHOGKJSA-N 0 0 520.618 4.792 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1C ZINC000013810296 553492385 /nfs/dbraw/zinc/49/23/85/553492385.db2.gz RANVZRQZTQVBBF-HAHDFKILSA-N 0 0 511.632 4.987 50 0 KJAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OC(C)C ZINC000013810555 553492365 /nfs/dbraw/zinc/49/23/65/553492365.db2.gz PWMXWGSLUJEDGJ-XYGWBWBKSA-N 0 0 520.618 4.709 50 0 KJAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OC ZINC000013810565 553492364 /nfs/dbraw/zinc/49/23/64/553492364.db2.gz AYNHCQIEVHTZQN-XSFVSMFZSA-N 0 0 500.418 4.706 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000013815532 553492936 /nfs/dbraw/zinc/49/29/36/553492936.db2.gz PDGHWJAKXKHZBB-ZIFWVBPMSA-N 0 0 504.995 4.888 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000013815536 553492925 /nfs/dbraw/zinc/49/29/25/553492925.db2.gz PDGHWJAKXKHZBB-VETGKBFTSA-N 0 0 504.995 4.888 50 0 KJAARN Cc1nc2sc3c(nc(N4CCN(C)CC4)n(-c4cccc(Cl)c4)c3=O)c2c2c1COC(C)(C)C2 ZINC000013817430 553492917 /nfs/dbraw/zinc/49/29/17/553492917.db2.gz KCVXUYHWCFSRDY-UHFFFAOYSA-N 0 0 510.063 4.560 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000013839340 553493023 /nfs/dbraw/zinc/49/30/23/553493023.db2.gz BCCADAULOGLEBC-AREMUKBSSA-N 0 0 515.545 4.941 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000013839343 553493112 /nfs/dbraw/zinc/49/31/12/553493112.db2.gz BCCADAULOGLEBC-SANMLTNESA-N 0 0 515.545 4.941 50 0 KJAARN O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000013857802 553493469 /nfs/dbraw/zinc/49/34/69/553493469.db2.gz DNOAUEBSLOJGFH-ZYXPHRRPSA-N 0 0 514.581 4.619 50 0 KJAARN CSCC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857855 553493452 /nfs/dbraw/zinc/49/34/52/553493452.db2.gz HSDAGJFYJOYEFF-SMJVQMQXSA-N 0 0 524.642 4.842 50 0 KJAARN COc1ccc(NC(=O)[C@H](CCSC)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000013857860 553493454 /nfs/dbraw/zinc/49/34/54/553493454.db2.gz YXCQPGUOSZPZLJ-KDCGEYSRSA-N 0 0 512.631 4.648 50 0 KJAARN COc1ccccc1NC(=O)[C@H](CCSC)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857864 553493477 /nfs/dbraw/zinc/49/34/77/553493477.db2.gz QDBRCJQGWLXIDH-SKPBHNPKSA-N 0 0 512.631 4.648 50 0 KJAARN CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857865 553493503 /nfs/dbraw/zinc/49/35/03/553493503.db2.gz HAENGIQPIGXXIV-MKTBVKGBSA-N 0 0 524.642 4.842 50 0 KJAARN CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857867 553493467 /nfs/dbraw/zinc/49/34/67/553493467.db2.gz HAENGIQPIGXXIV-SMJVQMQXSA-N 0 0 524.642 4.842 50 0 KJAARN CCCC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857905 553493450 /nfs/dbraw/zinc/49/34/50/553493450.db2.gz YAGHYOBBZABUMG-SMJVQMQXSA-N 0 0 522.601 4.863 50 0 KJAARN Cc1ccn([C@H](C(=O)c2ccccc2)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)c1 ZINC000013880102 553493870 /nfs/dbraw/zinc/49/38/70/553493870.db2.gz FECJJHVEZVBYSL-SSEXGKCCSA-N 0 0 505.618 4.515 50 0 KJAARN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OC ZINC000013881023 553493982 /nfs/dbraw/zinc/49/39/82/553493982.db2.gz OJORSZKQEBHAGE-VXLYETTFSA-N 0 0 505.390 4.840 50 0 KJAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1 ZINC000013894802 553494552 /nfs/dbraw/zinc/49/45/52/553494552.db2.gz CXTBFYPQUPLZRH-UHFFFAOYSA-N 0 0 502.570 4.747 50 0 KJAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1 ZINC000013894901 553494528 /nfs/dbraw/zinc/49/45/28/553494528.db2.gz OEFVSKPQIYNSEX-UHFFFAOYSA-N 0 0 508.587 4.950 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000013896388 553494857 /nfs/dbraw/zinc/49/48/57/553494857.db2.gz WTAIGCVLFXPDBW-ZEKHAJRLSA-N 0 0 512.631 4.960 50 0 KJAARN Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013896644 553494863 /nfs/dbraw/zinc/49/48/63/553494863.db2.gz OZZXGFGGUSSWEF-UHFFFAOYSA-N 0 0 512.031 4.718 50 0 KJAARN O=C(C[C@H]1C(=O)N(CCc2ccccc2)C(=S)N1CCc1ccc(Cl)cc1)NCCc1ccccc1 ZINC000013898731 553495164 /nfs/dbraw/zinc/49/51/64/553495164.db2.gz PGDFCWFRXQXXRW-SANMLTNESA-N 0 0 520.098 4.672 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013899244 553495196 /nfs/dbraw/zinc/49/51/96/553495196.db2.gz JVLUOFVSAXVVEW-UHFFFAOYSA-N 0 0 523.655 4.614 50 0 KJAARN CC(C)(C)C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013941604 553496540 /nfs/dbraw/zinc/49/65/40/553496540.db2.gz DGTSANDCMFBVSA-TTZMSILDSA-N 0 0 521.613 4.648 50 0 KJAARN COc1ccc2nc(N(C(=O)c3ccc(NC(C)=O)cc3)C(=O)c3ccc(NC(C)=O)cc3)sc2c1 ZINC000013944200 553497339 /nfs/dbraw/zinc/49/73/39/553497339.db2.gz BDBRWMGTXXUZTG-UHFFFAOYSA-N 0 0 502.552 4.709 50 0 KJAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000013946211 553497323 /nfs/dbraw/zinc/49/73/23/553497323.db2.gz BYGVFWRPIPOFIH-JQIJEIRASA-N 0 0 502.640 4.922 50 0 KJAARN CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000013955954 553497471 /nfs/dbraw/zinc/49/74/71/553497471.db2.gz BLFBRUHHKMBOQT-UHFFFAOYSA-N 0 0 520.428 4.728 50 0 KJAARN CCCCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nnc1-c1nn(C)cc1Cl ZINC000013958195 553497734 /nfs/dbraw/zinc/49/77/34/553497734.db2.gz XWWBHFSYNIYKRU-UHFFFAOYSA-N 0 0 511.073 4.718 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4c[nH]c5ccc(OC)cc45)cc3n2)cc1 ZINC000013961280 553498580 /nfs/dbraw/zinc/49/85/80/553498580.db2.gz MGUDDGSRVJKPSE-UHFFFAOYSA-N 0 0 509.488 4.886 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4c[nH]c5ccc(OC)cc45)c3n2)cc1 ZINC000013961473 553498878 /nfs/dbraw/zinc/49/88/78/553498878.db2.gz CQEPXSDSSXDJFU-UHFFFAOYSA-N 0 0 509.488 4.886 50 0 KJAARN O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013987269 553499029 /nfs/dbraw/zinc/49/90/29/553499029.db2.gz PYGUSLXXHWDCPK-UHFFFAOYSA-N 0 0 517.529 4.995 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000013987444 553499011 /nfs/dbraw/zinc/49/90/11/553499011.db2.gz DTCIWPFSDLAQNC-UHFFFAOYSA-N 0 0 526.102 4.918 50 0 KJAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000013988266 553498998 /nfs/dbraw/zinc/49/89/98/553498998.db2.gz UBVMXBMAJBUWIY-UHFFFAOYSA-N 0 0 504.486 4.597 50 0 KJAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000013988269 553499027 /nfs/dbraw/zinc/49/90/27/553499027.db2.gz KCPGSCGUYVUPPV-UHFFFAOYSA-N 0 0 516.447 4.675 50 0 KJAARN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1Br ZINC000014008657 553498987 /nfs/dbraw/zinc/49/89/87/553498987.db2.gz QZSDPJWVDMBIKR-QPEQYQDCSA-N 0 0 507.200 4.598 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)c1ccco1 ZINC000014010424 553499274 /nfs/dbraw/zinc/49/92/74/553499274.db2.gz WXRLGJSWPAVQHE-UHFFFAOYSA-N 0 0 501.608 4.628 50 0 KJAARN CCOc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCN(C)CC2)c1 ZINC000014022793 553499502 /nfs/dbraw/zinc/49/95/02/553499502.db2.gz PXSUBJNDNSVTIU-UHFFFAOYSA-N 0 0 528.074 4.522 50 0 KJAARN CCCCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)cc1 ZINC000014058062 553499542 /nfs/dbraw/zinc/49/95/42/553499542.db2.gz POUHFFCYOJHTJY-UHFFFAOYSA-N 0 0 500.584 4.833 50 0 KJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCCC3)n2)s1 ZINC000014066156 553499435 /nfs/dbraw/zinc/49/94/35/553499435.db2.gz BJBAMRXNQPDSLO-UHFFFAOYSA-N 0 0 507.641 4.586 50 0 KJAARN CC[C@@H](C)c1ccccc1NC(=O)CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O ZINC000014070238 553499580 /nfs/dbraw/zinc/49/95/80/553499580.db2.gz VRGXOVCEDGGVIS-LJQANCHMSA-N 0 0 501.583 4.651 50 0 KJAARN CC[C@H](C)c1ccccc1NC(=O)CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O ZINC000014070241 553499634 /nfs/dbraw/zinc/49/96/34/553499634.db2.gz VRGXOVCEDGGVIS-IBGZPJMESA-N 0 0 501.583 4.651 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000014075297 553499843 /nfs/dbraw/zinc/49/98/43/553499843.db2.gz KETGGCCJSZSXPH-UHFFFAOYSA-N 0 0 517.695 4.799 50 0 KJAARN O=C(CSc1ccccc1C(=O)OCc1nnc(-c2ccccc2Br)o1)N1CCCC1 ZINC000014075456 553499851 /nfs/dbraw/zinc/49/98/51/553499851.db2.gz WIMKGSQJDRIMAC-UHFFFAOYSA-N 0 0 502.390 4.571 50 0 KJAARN COCCn1c(=O)c2c(-c3ccccc3Cl)csc2nc1SCC(=O)NCc1ccccc1 ZINC000014083985 553499953 /nfs/dbraw/zinc/49/99/53/553499953.db2.gz IBBOOQZPAHDFKK-UHFFFAOYSA-N 0 0 500.045 4.833 50 0 KJAARN Cc1cc(NC(=O)CSCC(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)no1 ZINC000014086816 553500312 /nfs/dbraw/zinc/50/03/12/553500312.db2.gz ZTTGGPTTYGNOBH-OAQYLSRUSA-N 0 0 507.490 4.597 50 0 KJAARN Cc1cc(NC(=O)CSCC(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)no1 ZINC000014086818 553500333 /nfs/dbraw/zinc/50/03/33/553500333.db2.gz ZTTGGPTTYGNOBH-NRFANRHFSA-N 0 0 507.490 4.597 50 0 KJAARN CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)cc1 ZINC000014108595 553500953 /nfs/dbraw/zinc/50/09/53/553500953.db2.gz NPHPFNFPKNMQJG-DEOSSOPVSA-N 0 0 500.393 4.618 50 0 KJAARN CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cc1 ZINC000014108598 553500932 /nfs/dbraw/zinc/50/09/32/553500932.db2.gz NPHPFNFPKNMQJG-XMMPIXPASA-N 0 0 500.393 4.618 50 0 KJAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)CC2)c1C ZINC000014113493 553500843 /nfs/dbraw/zinc/50/08/43/553500843.db2.gz FELZQKHJOSGAKU-UHFFFAOYSA-N 0 0 519.955 4.558 50 0 KJAARN Cc1c(NC(=O)CSc2ccccc2C(=O)NC[C@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000014113496 553500918 /nfs/dbraw/zinc/50/09/18/553500918.db2.gz BJBQTCVOGNSKFW-FQEVSTJZSA-N 0 0 514.651 4.749 50 0 KJAARN Cc1c(NC(=O)CSc2ccccc2C(=O)NC[C@@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000014113501 553500960 /nfs/dbraw/zinc/50/09/60/553500960.db2.gz BJBQTCVOGNSKFW-HXUWFJFHSA-N 0 0 514.651 4.749 50 0 KJAARN Cc1cc(-c2csc(NC(=O)CCCn3cnc4c(C)cccc4c3=O)n2)c(C)n1C[C@@H]1CCCO1 ZINC000014115563 553500847 /nfs/dbraw/zinc/50/08/47/553500847.db2.gz YAQYEBUQPGIHTB-FQEVSTJZSA-N 0 0 505.644 4.845 50 0 KJAARN Cc1cc(-c2csc(NC(=O)CCCn3cnc4c(C)cccc4c3=O)n2)c(C)n1C[C@H]1CCCO1 ZINC000014115568 553500856 /nfs/dbraw/zinc/50/08/56/553500856.db2.gz YAQYEBUQPGIHTB-HXUWFJFHSA-N 0 0 505.644 4.845 50 0 KJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc(Cl)c5)CC4)cc3)o2)cc1 ZINC000014116494 553500943 /nfs/dbraw/zinc/50/09/43/553500943.db2.gz YFAOMKCWOATYNW-UHFFFAOYSA-N 0 0 523.014 4.512 50 0 KJAARN Cc1nc(-c2cccc(NC(=O)COC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)c2)cs1 ZINC000014118275 553500884 /nfs/dbraw/zinc/50/08/84/553500884.db2.gz OWKAKJVNUXFJLI-GCLMJIJYSA-N 0 0 509.672 4.957 50 0 KJAARN Cc1nc(-c2cccc(NC(=O)COC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)c2)cs1 ZINC000014118278 553500877 /nfs/dbraw/zinc/50/08/77/553500877.db2.gz OWKAKJVNUXFJLI-CZILXDHESA-N 0 0 509.672 4.957 50 0 KJAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCCc1ccc(Cl)cc1Cl ZINC000014128734 553501197 /nfs/dbraw/zinc/50/11/97/553501197.db2.gz TZMDHOZPKLGDBL-UHFFFAOYSA-N 0 0 504.336 4.526 50 0 KJAARN Cc1cc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c(C)n1CCC1=CCCCC1 ZINC000014128771 553501236 /nfs/dbraw/zinc/50/12/36/553501236.db2.gz DXBBJHJTQRFTLQ-UHFFFAOYSA-N 0 0 507.052 4.743 50 0 KJAARN CCOC(=O)C(=Cc1ccc(OC(F)F)c(OC)c1)C1=CSc2nnc(-c3ccc(OC)cc3)n2N1 ZINC000014129507 553501422 /nfs/dbraw/zinc/50/14/22/553501422.db2.gz WHXOBINFYDVKBU-BOPFTXTBSA-N 0 0 516.526 4.520 50 0 KJAARN COc1ccc(Br)cc1-c1nc(COC(=O)Cn2cc(C(F)(F)F)ccc2=O)cs1 ZINC000014129604 553501502 /nfs/dbraw/zinc/50/15/02/553501502.db2.gz XZOUFPUYQDJRNB-UHFFFAOYSA-N 0 0 503.296 4.505 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2C2CCCCC2)cc1OC ZINC000014137829 553502855 /nfs/dbraw/zinc/50/28/55/553502855.db2.gz QVGUFZXNOJMQJY-UHFFFAOYSA-N 0 0 510.616 4.605 50 0 KJAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)n1Cc1ccccc1)N(C)C ZINC000014139261 553502971 /nfs/dbraw/zinc/50/29/71/553502971.db2.gz XTOVEBYBWQFOBU-HSZRJFAPSA-N 0 0 508.692 4.552 50 0 KJAARN CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)n1Cc1ccccc1)N(C)C ZINC000014139262 553503041 /nfs/dbraw/zinc/50/30/41/553503041.db2.gz XTOVEBYBWQFOBU-QHCPKHFHSA-N 0 0 508.692 4.552 50 0 KJAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)Nc1ccc2ccccc2c1 ZINC000014141862 553503047 /nfs/dbraw/zinc/50/30/47/553503047.db2.gz BNDLZAYXQUQBRP-UHFFFAOYSA-N 0 0 508.983 4.767 50 0 KJAARN CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014155151 553504967 /nfs/dbraw/zinc/50/49/67/553504967.db2.gz AJLAJDBBAZAJDN-UHFFFAOYSA-N 0 0 505.640 4.627 50 0 KJAARN CCc1cccc(C)c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC000014161393 553505501 /nfs/dbraw/zinc/50/55/01/553505501.db2.gz RSGRXZLRBQWQAP-UHFFFAOYSA-N 0 0 515.031 4.827 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(C)cc2)c2ccc(C)cc2)cc1OC ZINC000014165697 553505736 /nfs/dbraw/zinc/50/57/36/553505736.db2.gz OSBDBEUBWRWWTH-UHFFFAOYSA-N 0 0 528.696 4.566 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2cc(Cl)ccc2OC)cc1OC ZINC000014166096 553505761 /nfs/dbraw/zinc/50/57/61/553505761.db2.gz DOFSMQZQGFDANL-UHFFFAOYSA-N 0 0 504.992 4.508 50 0 KJAARN COc1cc(/C=C2\NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000014170922 1066375149 /nfs/dbraw/zinc/37/51/49/1066375149.db2.gz XCXDNYMODHOAKI-UCQKPKSFSA-N 0 0 501.608 4.900 50 0 KJAARN CCc1sc2nc(SCC(=O)Nc3ccccc3C(N)=O)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000014182803 553505891 /nfs/dbraw/zinc/50/58/91/553505891.db2.gz QFDWYGBEMAWRDE-UHFFFAOYSA-N 0 0 506.653 4.515 50 0 KJAARN Cc1noc(C)c1COc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000014185770 553506076 /nfs/dbraw/zinc/50/60/76/553506076.db2.gz FDCPDJRGKQDACK-XKZIYDEJSA-N 0 0 511.987 4.990 50 0 KJAARN COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000014185994 553506078 /nfs/dbraw/zinc/50/60/78/553506078.db2.gz CVPZWLZAFNAHFZ-UHFFFAOYSA-N 0 0 517.047 4.528 50 0 KJAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2N=C(C=Cc3ccco3)C[C@@H]2c2ccco2)C1=O ZINC000014197147 553506373 /nfs/dbraw/zinc/50/63/73/553506373.db2.gz QYBBDTHHGWTTDM-PJDKQIDISA-N 0 0 508.534 4.836 50 0 KJAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2N=C(C=Cc3ccco3)C[C@H]2c2ccco2)C1=O ZINC000014197149 553506392 /nfs/dbraw/zinc/50/63/92/553506392.db2.gz QYBBDTHHGWTTDM-PWWHKISZSA-N 0 0 508.534 4.836 50 0 KJAARN NC(=O)Cn1c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)nnc1-c1cccs1 ZINC000014251652 553506463 /nfs/dbraw/zinc/50/64/63/553506463.db2.gz DBMWIDKBQNZFIS-UHFFFAOYSA-N 0 0 500.005 4.668 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)NC2CCC(NC(=S)Nc3ccc(C(=O)OCC)cc3)CC2)cc1 ZINC000014356743 553512206 /nfs/dbraw/zinc/51/22/06/553512206.db2.gz ZONTVNUIFMGNNB-UHFFFAOYSA-N 0 0 528.700 4.624 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1C ZINC000014357057 553512169 /nfs/dbraw/zinc/51/21/69/553512169.db2.gz BRIFZUFTFDLMPN-ONOODXEBSA-N 0 0 513.443 4.916 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1C ZINC000014357059 553512186 /nfs/dbraw/zinc/51/21/86/553512186.db2.gz BRIFZUFTFDLMPN-YHVDPYDOSA-N 0 0 513.443 4.916 50 0 KJAARN Cn1nc(C(=O)OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)c2ccccc2c1=O ZINC000014357326 553512357 /nfs/dbraw/zinc/51/23/57/553512357.db2.gz KIHZYOSEECOCAX-HHHXNRCGSA-N 0 0 516.557 4.621 50 0 KJAARN Cn1nc(C(=O)OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)c2ccccc2c1=O ZINC000014357329 553512352 /nfs/dbraw/zinc/51/23/52/553512352.db2.gz KIHZYOSEECOCAX-MHZLTWQESA-N 0 0 516.557 4.621 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)C2(c3cccc(F)c3)CCCC2)ccc1C ZINC000014357434 553512348 /nfs/dbraw/zinc/51/23/48/553512348.db2.gz JFVCGHPGNJWENQ-LJQANCHMSA-N 0 0 504.624 4.547 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)C2(c3cccc(F)c3)CCCC2)ccc1C ZINC000014357436 553512321 /nfs/dbraw/zinc/51/23/21/553512321.db2.gz JFVCGHPGNJWENQ-IBGZPJMESA-N 0 0 504.624 4.547 50 0 KJAARN O=C(CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1)NC12CC3CC(CC(C3)C1)C2 ZINC000014357643 553512493 /nfs/dbraw/zinc/51/24/93/553512493.db2.gz JKUJNSVIJHDAFW-UHFFFAOYSA-N 0 0 527.650 4.672 50 0 KJAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014357891 553512681 /nfs/dbraw/zinc/51/26/81/553512681.db2.gz RYPIIEALPKAANX-UHFFFAOYSA-N 0 0 522.627 4.951 50 0 KJAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)ccc2C)c(C)c1 ZINC000014358245 553512856 /nfs/dbraw/zinc/51/28/56/553512856.db2.gz GDCQLCODZSCCMX-UHFFFAOYSA-N 0 0 506.580 4.845 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1 ZINC000014358412 553512958 /nfs/dbraw/zinc/51/29/58/553512958.db2.gz IUBQDYUTHXIDPA-VWLOTQADSA-N 0 0 514.578 4.709 50 0 KJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1 ZINC000014358415 553512943 /nfs/dbraw/zinc/51/29/43/553512943.db2.gz IUBQDYUTHXIDPA-RUZDIDTESA-N 0 0 514.578 4.709 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(-n3nc(SC)sc3=S)cc2)ccc1C ZINC000014358545 553512975 /nfs/dbraw/zinc/51/29/75/553512975.db2.gz MBBIYTPRONVGBC-UHFFFAOYSA-N 0 0 508.716 4.976 50 0 KJAARN CCOc1ccc(CCNC(=O)COC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)cc1OCC ZINC000014358573 553512992 /nfs/dbraw/zinc/51/29/92/553512992.db2.gz QBGQIRPMYNOFMB-UHFFFAOYSA-N 0 0 514.669 4.954 50 0 KJAARN Cc1cc(C(=O)COC(=O)c2ccccc2OS(=O)(=O)c2cc(C)ccc2C)c(C)n1C[C@@H]1CCCO1 ZINC000014358594 553512985 /nfs/dbraw/zinc/51/29/85/553512985.db2.gz NYLFRPKHKGLAJD-QFIPXVFZSA-N 0 0 525.623 4.708 50 0 KJAARN Cc1cc(C(=O)COC(=O)c2ccccc2OS(=O)(=O)c2cc(C)ccc2C)c(C)n1C[C@H]1CCCO1 ZINC000014358596 553512956 /nfs/dbraw/zinc/51/29/56/553512956.db2.gz NYLFRPKHKGLAJD-JOCHJYFZSA-N 0 0 525.623 4.708 50 0 KJAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1c2c(nc3ccccc31)CCC2 ZINC000014358873 553513156 /nfs/dbraw/zinc/51/31/56/553513156.db2.gz KZQFIKLGEYQLHW-STZFKDTASA-N 0 0 509.534 4.791 50 0 KJAARN Cc1cc(C(=O)COC(=O)c2cc(Br)c(Br)s2)c(C)n1C[C@@H]1CCCO1 ZINC000014358889 553513201 /nfs/dbraw/zinc/51/32/01/553513201.db2.gz BEQMFRDQPIHCSD-LBPRGKRZSA-N 0 0 505.228 4.910 50 0 KJAARN Cc1cc(C(=O)COC(=O)c2cc(Br)c(Br)s2)c(C)n1C[C@H]1CCCO1 ZINC000014358891 553513161 /nfs/dbraw/zinc/51/31/61/553513161.db2.gz BEQMFRDQPIHCSD-GFCCVEGCSA-N 0 0 505.228 4.910 50 0 KJAARN COc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000014359136 553513353 /nfs/dbraw/zinc/51/33/53/553513353.db2.gz MUMATRYHHQBCTQ-SFHVURJKSA-N 0 0 511.571 4.848 50 0 KJAARN COc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000014359137 553513326 /nfs/dbraw/zinc/51/33/26/553513326.db2.gz MUMATRYHHQBCTQ-GOSISDBHSA-N 0 0 511.571 4.848 50 0 KJAARN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N(C1CCCCC1)C1CCCCC1 ZINC000014359512 553513470 /nfs/dbraw/zinc/51/34/70/553513470.db2.gz ASFKJMDXFFGRSV-MHZLTWQESA-N 0 0 516.638 4.931 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000014359951 553513814 /nfs/dbraw/zinc/51/38/14/553513814.db2.gz XDFDGWBKBADUHI-QPUVPPAHSA-N 0 0 524.683 4.982 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000014359953 553513783 /nfs/dbraw/zinc/51/37/83/553513783.db2.gz XDFDGWBKBADUHI-BITABPLHSA-N 0 0 524.683 4.982 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000014360048 553513840 /nfs/dbraw/zinc/51/38/40/553513840.db2.gz VCSSGAIWROFGQL-UHFFFAOYSA-N 0 0 522.048 4.550 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COc2ccc(-n3cnnn3)cc2)cc1 ZINC000014360382 553513965 /nfs/dbraw/zinc/51/39/65/553513965.db2.gz NIEFPNHOUYOORG-NDEPHWFRSA-N 0 0 504.550 4.581 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COc2ccc(-n3cnnn3)cc2)cc1 ZINC000014360384 553513987 /nfs/dbraw/zinc/51/39/87/553513987.db2.gz NIEFPNHOUYOORG-MUUNZHRXSA-N 0 0 504.550 4.581 50 0 KJAARN O=S(=O)(Nc1ccc(Cl)cc1)c1cc(NC(=S)NC[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC000014360397 553513994 /nfs/dbraw/zinc/51/39/94/553513994.db2.gz YSDYZIJGICCDNW-FQEVSTJZSA-N 0 0 509.097 4.597 50 0 KJAARN O=S(=O)(Nc1ccc(Cl)cc1)c1cc(NC(=S)NC[C@H]2CCCO2)ccc1N1CCCCC1 ZINC000014360399 553513976 /nfs/dbraw/zinc/51/39/76/553513976.db2.gz YSDYZIJGICCDNW-HXUWFJFHSA-N 0 0 509.097 4.597 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000014360834 553514179 /nfs/dbraw/zinc/51/41/79/553514179.db2.gz AJOJCCAVVXMFFI-OKILXGFUSA-N 0 0 510.987 4.826 50 0 KJAARN O=C(CCc1nc2ccccc2s1)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O ZINC000014360946 553514290 /nfs/dbraw/zinc/51/42/90/553514290.db2.gz JXGXTHNPLZTGMM-AQTBWJFISA-N 0 0 503.552 4.683 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)c(OCc3ccccc3)c2)c1 ZINC000014360991 553514313 /nfs/dbraw/zinc/51/43/13/553514313.db2.gz VVUWLCAOIXWSBK-AREMUKBSSA-N 0 0 503.555 4.558 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)c(OCc3ccccc3)c2)c1 ZINC000014360993 553514326 /nfs/dbraw/zinc/51/43/26/553514326.db2.gz VVUWLCAOIXWSBK-SANMLTNESA-N 0 0 503.555 4.558 50 0 KJAARN CC(C)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1 ZINC000014361362 553514469 /nfs/dbraw/zinc/51/44/69/553514469.db2.gz RCVZHLZPYAZAKL-UHFFFAOYSA-N 0 0 505.706 4.776 50 0 KJAARN Cc1ccc(N2C(=O)C[C@H](Nc3cccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)c3)C2=O)c(C)c1 ZINC000014361406 553514450 /nfs/dbraw/zinc/51/44/50/553514450.db2.gz GCTRWJUITMYYRN-NRFANRHFSA-N 0 0 517.529 4.867 50 0 KJAARN CC[C@@H](C)Nc1cnc2c(c1)c(NC(=O)[C@@H]1CCOC1)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014531551 553517422 /nfs/dbraw/zinc/51/74/22/553517422.db2.gz RCTRHHSOKXFIFI-IEBWSBKVSA-N 0 0 503.603 4.732 50 0 KJAARN CC[C@H](C)Nc1cnc2c(c1)c(NC(=O)[C@@H]1CCOC1)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014531552 553517529 /nfs/dbraw/zinc/51/75/29/553517529.db2.gz RCTRHHSOKXFIFI-PKOBYXMFSA-N 0 0 503.603 4.732 50 0 KJAARN CC[C@@H](C)Nc1cnc2c(c1)c(NC(=O)[C@H]1CCOC1)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014531553 553517667 /nfs/dbraw/zinc/51/76/67/553517667.db2.gz RCTRHHSOKXFIFI-MJGOQNOKSA-N 0 0 503.603 4.732 50 0 KJAARN CC[C@H](C)Nc1cnc2c(c1)c(NC(=O)[C@H]1CCOC1)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014531554 553517692 /nfs/dbraw/zinc/51/76/92/553517692.db2.gz RCTRHHSOKXFIFI-HKUYNNGSSA-N 0 0 503.603 4.732 50 0 KJAARN COC(=O)c1c(NC(=O)c2cccnc2)c2cc(NCc3ccc(F)c(OC)c3)cnc2n1CC(C)C ZINC000014533495 1067157124 /nfs/dbraw/zinc/15/71/24/1067157124.db2.gz YJPLTJIWXLBENL-UHFFFAOYSA-N 0 0 505.550 4.886 50 0 KJAARN COc1cc(NC(=O)c2cc(NCc3cc4ccccc4o3)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1 ZINC000014534253 1067157920 /nfs/dbraw/zinc/15/79/20/1067157920.db2.gz JVYANPIVBAQXLQ-UHFFFAOYSA-N 0 0 509.584 4.565 50 0 KJAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(NCc3cccc(OCCO)c3)cnc2n1CCC(C)C ZINC000014534567 1067157998 /nfs/dbraw/zinc/15/79/98/1067157998.db2.gz CUSRRFWZPSIVLD-UHFFFAOYSA-N 0 0 520.586 4.698 50 0 KJAARN COC(=O)c1c(NC(=O)c2cccnc2)c2cc(NCc3ccc(C(=O)OC)cc3)cnc2n1CC(C)C ZINC000014534734 1067158113 /nfs/dbraw/zinc/15/81/13/1067158113.db2.gz BGHBCHLHJZEKSZ-UHFFFAOYSA-N 0 0 515.570 4.525 50 0 KJAARN CC[C@@H](C)C(=O)Nc1c2cc(NCc3cccc(F)c3F)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014534918 1067158041 /nfs/dbraw/zinc/15/80/41/1067158041.db2.gz KYYSTPZBYQHSLA-QAPCUYQASA-N 0 0 500.546 4.877 50 0 KJAARN CC[C@H](C)C(=O)Nc1c2cc(NCc3cccc(F)c3F)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014534919 1067158151 /nfs/dbraw/zinc/15/81/51/1067158151.db2.gz KYYSTPZBYQHSLA-YJBOKZPZSA-N 0 0 500.546 4.877 50 0 KJAARN CC[C@@H](C)C(=O)Nc1c2cc(NCc3cccc(F)c3F)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014534920 1067158091 /nfs/dbraw/zinc/15/80/91/1067158091.db2.gz KYYSTPZBYQHSLA-CRAIPNDOSA-N 0 0 500.546 4.877 50 0 KJAARN CC[C@H](C)C(=O)Nc1c2cc(NCc3cccc(F)c3F)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014534921 1067158166 /nfs/dbraw/zinc/15/81/66/1067158166.db2.gz KYYSTPZBYQHSLA-MAUKXSAKSA-N 0 0 500.546 4.877 50 0 KJAARN COC(=O)c1c(NC(=O)C2CC2)c2cc(NCc3ccc(OC)c(O)c3)cnc2n1Cc1ccccc1 ZINC000014534988 1067157886 /nfs/dbraw/zinc/15/78/86/1067157886.db2.gz QKGJSMPEKFRTTK-UHFFFAOYSA-N 0 0 500.555 4.546 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCOC2)c2cc(NC3CCSCC3)cnc2n1CCCc1ccccc1 ZINC000014535440 1067158119 /nfs/dbraw/zinc/15/81/19/1067158119.db2.gz YUGNUGFHIXILER-HXUWFJFHSA-N 0 0 522.671 4.738 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(NC3CCSCC3)cnc2n1CCCc1ccccc1 ZINC000014535441 1067157955 /nfs/dbraw/zinc/15/79/55/1067157955.db2.gz YUGNUGFHIXILER-FQEVSTJZSA-N 0 0 522.671 4.738 50 0 KJAARN COc1ccc(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)Nc3ccccc3)c2)c(OC)c1 ZINC000014535760 1067158093 /nfs/dbraw/zinc/15/80/93/1067158093.db2.gz XMBKGHVVAMJPNV-UHFFFAOYSA-N 0 0 509.628 4.789 50 0 KJAARN COc1ccc(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)Nc3ccccc3)c2)cc1OC ZINC000014535976 1067158053 /nfs/dbraw/zinc/15/80/53/1067158053.db2.gz LPWGRYCCOXTYQV-UHFFFAOYSA-N 0 0 509.628 4.789 50 0 KJAARN COc1ccc([C@@H](C)NC(=O)c2cc(NCc3ccc(Cl)cc3)cc(S(=O)(=O)N(C)C)c2)cc1 ZINC000014536075 553518123 /nfs/dbraw/zinc/51/81/23/553518123.db2.gz CYXSOKUNMDBOJX-QGZVFWFLSA-N 0 0 502.036 4.702 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(N[C@@H](C)CC(F)(F)F)cnc2n1Cc1ccccc1 ZINC000014536303 1067207991 /nfs/dbraw/zinc/20/79/91/1067207991.db2.gz PHXLTJCRRLFMRK-KXBFYZLASA-N 0 0 504.509 4.742 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(N[C@@H](C)CC(F)(F)F)cnc2n1Cc1ccccc1 ZINC000014536304 1067208023 /nfs/dbraw/zinc/20/80/23/1067208023.db2.gz PHXLTJCRRLFMRK-HNAYVOBHSA-N 0 0 504.509 4.742 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(N[C@H](C)CC(F)(F)F)cnc2n1Cc1ccccc1 ZINC000014536305 1067208230 /nfs/dbraw/zinc/20/82/30/1067208230.db2.gz PHXLTJCRRLFMRK-BEFAXECRSA-N 0 0 504.509 4.742 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(N[C@H](C)CC(F)(F)F)cnc2n1Cc1ccccc1 ZINC000014536306 1067208119 /nfs/dbraw/zinc/20/81/19/1067208119.db2.gz PHXLTJCRRLFMRK-DNVCBOLYSA-N 0 0 504.509 4.742 50 0 KJAARN COC(=O)c1c(NC(=O)CCc2ccccc2)c2cc(NCc3cccc(OC)c3OC)cnc2n1C ZINC000014538039 1067158121 /nfs/dbraw/zinc/15/81/21/1067158121.db2.gz CTRUHBHYMSQILB-UHFFFAOYSA-N 0 0 502.571 4.561 50 0 KJAARN COc1cc(CNc2cc(C(=O)NCc3cccnc3)cc(S(=O)(=O)Nc3ccccc3)c2)ccc1F ZINC000014538664 1067158125 /nfs/dbraw/zinc/15/81/25/1067158125.db2.gz RMAKXNQQSIRBRV-UHFFFAOYSA-N 0 0 520.586 4.572 50 0 KJAARN COc1ccc([C@@H](C)NC(=O)c2cc(NCc3cc4ccccc4o3)cc(S(=O)(=O)N(C)C)c2)cc1 ZINC000014539371 1067158160 /nfs/dbraw/zinc/15/81/60/1067158160.db2.gz NZUZCXSNRBTHSF-GOSISDBHSA-N 0 0 507.612 4.795 50 0 KJAARN COC(=O)c1c(NC(=O)c2ccco2)c2cc(NCc3ccc(OCCO)cc3)cnc2n1CCC(C)C ZINC000014539760 553518568 /nfs/dbraw/zinc/51/85/68/553518568.db2.gz SMPUOOFMFXCDRD-UHFFFAOYSA-N 0 0 520.586 4.698 50 0 KJAARN COc1ccc(OC)c(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000014540073 553518530 /nfs/dbraw/zinc/51/85/30/553518530.db2.gz NFDKLCUYWLKOJK-UHFFFAOYSA-N 0 0 509.628 4.789 50 0 KJAARN COCCn1c2ncc(NCc3cccc(F)c3)cc2c(NC(=O)CCc2ccccc2)c1C(=O)OC ZINC000014541093 1067158138 /nfs/dbraw/zinc/15/81/38/1067158138.db2.gz SKUJLHGZRNKYOK-UHFFFAOYSA-N 0 0 504.562 4.792 50 0 KJAARN COCCn1c2ncc(NCc3ccc(SC)cc3)cc2c(NC(=O)Cc2ccccc2)c1C(=O)OC ZINC000014541186 1067158106 /nfs/dbraw/zinc/15/81/06/1067158106.db2.gz CCEPCARMGGSGDN-UHFFFAOYSA-N 0 0 518.639 4.985 50 0 KJAARN COC(=O)c1c(NC(=O)c2cccnc2)c2cc(NCc3cc(OC)ccc3OC)cnc2n1CC(C)C ZINC000014541417 1067158069 /nfs/dbraw/zinc/15/80/69/1067158069.db2.gz MYZRHHJFPOOVGK-UHFFFAOYSA-N 0 0 517.586 4.756 50 0 KJAARN CCOc1cc(CNc2cc(C(=O)N[C@@H](C)c3ccccc3)cc(S(=O)(=O)NC(C)C)c2)ccc1O ZINC000014541454 1067158134 /nfs/dbraw/zinc/15/81/34/1067158134.db2.gz KAMWYQURGUPDBG-IBGZPJMESA-N 0 0 511.644 4.581 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCOC2)c2cc(N[C@@H](C)CC(C)(C)OC)cnc2n1CCc1ccccc1 ZINC000014541625 1067158022 /nfs/dbraw/zinc/15/80/22/1067158022.db2.gz JLRNFGLJKIBYCY-PZJWPPBQSA-N 0 0 522.646 4.656 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(N[C@@H](C)CC(C)(C)OC)cnc2n1CCc1ccccc1 ZINC000014541626 1067158699 /nfs/dbraw/zinc/15/86/99/1067158699.db2.gz JLRNFGLJKIBYCY-FPOVZHCZSA-N 0 0 522.646 4.656 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCOC2)c2cc(N[C@H](C)CC(C)(C)OC)cnc2n1CCc1ccccc1 ZINC000014541627 1067158551 /nfs/dbraw/zinc/15/85/51/1067158551.db2.gz JLRNFGLJKIBYCY-TZIWHRDSSA-N 0 0 522.646 4.656 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(N[C@H](C)CC(C)(C)OC)cnc2n1CCc1ccccc1 ZINC000014541628 1067158833 /nfs/dbraw/zinc/15/88/33/1067158833.db2.gz JLRNFGLJKIBYCY-CTNGQTDRSA-N 0 0 522.646 4.656 50 0 KJAARN COc1cc(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)Nc3ccccc3)c2)cc(OC)c1 ZINC000014541690 553518876 /nfs/dbraw/zinc/51/88/76/553518876.db2.gz CUZAEBCOPBNXRW-UHFFFAOYSA-N 0 0 509.628 4.789 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCOC2)c2cc(NCC(C)(C)C)cnc2n1CCc1c[nH]c2ccccc12 ZINC000014542024 553518748 /nfs/dbraw/zinc/51/87/48/553518748.db2.gz CKKZTTINRLNRBI-LJQANCHMSA-N 0 0 517.630 4.980 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(NCC(C)(C)C)cnc2n1CCc1c[nH]c2ccccc12 ZINC000014542025 553518880 /nfs/dbraw/zinc/51/88/80/553518880.db2.gz CKKZTTINRLNRBI-IBGZPJMESA-N 0 0 517.630 4.980 50 0 KJAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(NCc3ccc(F)cc3)cnc2n1CCc1ccccn1 ZINC000014542327 1067158762 /nfs/dbraw/zinc/15/87/62/1067158762.db2.gz IISGREBXPMUPBE-UHFFFAOYSA-N 0 0 501.562 4.950 50 0 KJAARN COCC(=O)Nc1c2cc(N[C@@H](C)CC(C)(C)OC)cnc2n(CCCc2ccccc2)c1C(=O)OC ZINC000014731564 1067158556 /nfs/dbraw/zinc/15/85/56/1067158556.db2.gz KKUKJVGZGHOBCV-IBGZPJMESA-N 0 0 510.635 4.656 50 0 KJAARN COCC(=O)Nc1c2cc(N[C@H](C)CC(C)(C)OC)cnc2n(CCCc2ccccc2)c1C(=O)OC ZINC000014731566 1067158738 /nfs/dbraw/zinc/15/87/38/1067158738.db2.gz KKUKJVGZGHOBCV-LJQANCHMSA-N 0 0 510.635 4.656 50 0 KJAARN O=C(NC1CCCC1)c1cc(NCc2ccc3c(c2)OCCO3)cc(S(=O)(=O)Nc2ccccc2)c1 ZINC000014740496 553519368 /nfs/dbraw/zinc/51/93/68/553519368.db2.gz BMVZUGWPFAAPJR-UHFFFAOYSA-N 0 0 507.612 4.543 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(NCc3cccc(OC)c3)cnc2n1Cc1ccccc1 ZINC000014740587 1067158534 /nfs/dbraw/zinc/15/85/34/1067158534.db2.gz TUJNHKVNTHOIGQ-DEOSSOPVSA-N 0 0 514.582 4.609 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(NCc3cccc(OC)c3)cnc2n1Cc1ccccc1 ZINC000014740588 1067158743 /nfs/dbraw/zinc/15/87/43/1067158743.db2.gz TUJNHKVNTHOIGQ-XMMPIXPASA-N 0 0 514.582 4.609 50 0 KJAARN COC(=O)c1c(NC(C)=O)c2cc(NCc3ccccc3OC)cnc2n1CCc1ccc(OC)cc1 ZINC000014741209 1067158748 /nfs/dbraw/zinc/15/87/48/1067158748.db2.gz XKKGZZZVSLCLHH-UHFFFAOYSA-N 0 0 502.571 4.653 50 0 KJAARN COCc1ccc(CNc2cnc3c(c2)c(NC(=O)c2ccccc2)c(C(=O)OC)n3C[C@@H]2CCCO2)o1 ZINC000014742086 1067158570 /nfs/dbraw/zinc/15/85/70/1067158570.db2.gz IXXDAAXNNJGUCN-NRFANRHFSA-N 0 0 518.570 4.606 50 0 KJAARN COCc1ccc(CNc2cnc3c(c2)c(NC(=O)c2ccccc2)c(C(=O)OC)n3C[C@H]2CCCO2)o1 ZINC000014742087 1067158811 /nfs/dbraw/zinc/15/88/11/1067158811.db2.gz IXXDAAXNNJGUCN-OAQYLSRUSA-N 0 0 518.570 4.606 50 0 KJAARN COCCC(=O)Nc1c2cc(NCc3cccnc3)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000014742260 1067158775 /nfs/dbraw/zinc/15/87/75/1067158775.db2.gz ARPFSOIUEHASCN-UHFFFAOYSA-N 0 0 526.597 4.529 50 0 KJAARN COC(=O)c1c(NC(=O)c2ccoc2)c2cc(NCc3ccc(OC)c(OC)c3)cnc2n1CC(C)C ZINC000014742882 553519613 /nfs/dbraw/zinc/51/96/13/553519613.db2.gz CLHNHBPBFCREJE-UHFFFAOYSA-N 0 0 506.559 4.954 50 0 KJAARN COCC(=O)Nc1c2cc(NCc3ccc(C)s3)cnc2n(CCc2ccc(OC)cc2)c1C(=O)OC ZINC000014743155 1067158725 /nfs/dbraw/zinc/15/87/25/1067158725.db2.gz QEXLSZOXWPDXNH-UHFFFAOYSA-N 0 0 522.627 4.641 50 0 KJAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(N[C@@H](C)CC(F)(F)F)cnc2n1CCc1ccccn1 ZINC000014743514 553519818 /nfs/dbraw/zinc/51/98/18/553519818.db2.gz GNWUTIJXHFYJJM-HNNXBMFYSA-N 0 0 503.525 4.952 50 0 KJAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(N[C@H](C)CC(F)(F)F)cnc2n1CCc1ccccn1 ZINC000014743515 553519909 /nfs/dbraw/zinc/51/99/09/553519909.db2.gz GNWUTIJXHFYJJM-OAHLLOKOSA-N 0 0 503.525 4.952 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(NCc3cccc(O)c3)cnc2n1CCc1ccccc1 ZINC000014744942 1067158795 /nfs/dbraw/zinc/15/87/95/1067158795.db2.gz ZHXKEWHGENWJRQ-DEOSSOPVSA-N 0 0 514.582 4.501 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(NCc3cccc(O)c3)cnc2n1CCc1ccccc1 ZINC000014744943 1067159602 /nfs/dbraw/zinc/15/96/02/1067159602.db2.gz ZHXKEWHGENWJRQ-XMMPIXPASA-N 0 0 514.582 4.501 50 0 KJAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(NCc3ccccc3F)cnc2n1CCc1ccccn1 ZINC000014745385 1067159546 /nfs/dbraw/zinc/15/95/46/1067159546.db2.gz AEXJHFQIQRZONM-UHFFFAOYSA-N 0 0 501.562 4.950 50 0 KJAARN CC[C@@H](C)C(=O)Nc1c2cc(NCc3ccc(F)c(F)c3)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014745633 1067159386 /nfs/dbraw/zinc/15/93/86/1067159386.db2.gz GHUBSKQIYVDGFG-QAPCUYQASA-N 0 0 500.546 4.877 50 0 KJAARN CC[C@H](C)C(=O)Nc1c2cc(NCc3ccc(F)c(F)c3)cnc2n(C[C@@H]2CCCO2)c1C(=O)OC ZINC000014745634 1067159358 /nfs/dbraw/zinc/15/93/58/1067159358.db2.gz GHUBSKQIYVDGFG-YJBOKZPZSA-N 0 0 500.546 4.877 50 0 KJAARN CC[C@@H](C)C(=O)Nc1c2cc(NCc3ccc(F)c(F)c3)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014745635 1067159570 /nfs/dbraw/zinc/15/95/70/1067159570.db2.gz GHUBSKQIYVDGFG-CRAIPNDOSA-N 0 0 500.546 4.877 50 0 KJAARN CC[C@H](C)C(=O)Nc1c2cc(NCc3ccc(F)c(F)c3)cnc2n(C[C@H]2CCCO2)c1C(=O)OC ZINC000014745636 1067159611 /nfs/dbraw/zinc/15/96/11/1067159611.db2.gz GHUBSKQIYVDGFG-MAUKXSAKSA-N 0 0 500.546 4.877 50 0 KJAARN O=C(NC1CCCC1)c1cc(NCc2cccc3nccnc23)cc(S(=O)(=O)Nc2ccccc2)c1 ZINC000014745676 1067159372 /nfs/dbraw/zinc/15/93/72/1067159372.db2.gz IORLEDHNTLHDOJ-UHFFFAOYSA-N 0 0 501.612 4.715 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(N[C@@H](C)CC(C)(C)O)cnc2n1CCCc1ccccc1 ZINC000014746530 553520000 /nfs/dbraw/zinc/52/00/00/553520000.db2.gz GNZDPLFQTSWCNM-CVDCTZTESA-N 0 0 522.646 4.535 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(N[C@@H](C)CC(C)(C)O)cnc2n1CCCc1ccccc1 ZINC000014746531 553520088 /nfs/dbraw/zinc/52/00/88/553520088.db2.gz GNZDPLFQTSWCNM-WMZHIEFXSA-N 0 0 522.646 4.535 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(N[C@H](C)CC(C)(C)O)cnc2n1CCCc1ccccc1 ZINC000014746532 553520113 /nfs/dbraw/zinc/52/01/13/553520113.db2.gz GNZDPLFQTSWCNM-XXBNENTESA-N 0 0 522.646 4.535 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(N[C@H](C)CC(C)(C)O)cnc2n1CCCc1ccccc1 ZINC000014746533 553520069 /nfs/dbraw/zinc/52/00/69/553520069.db2.gz GNZDPLFQTSWCNM-AUSIDOKSSA-N 0 0 522.646 4.535 50 0 KJAARN 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COc1ccc(-c2nc3cc(Cl)ccc3cc2CN(C[C@@H]2CCCO2)C(=O)Cn2nc(C)nc2C)cc1 ZINC000014971167 553522908 /nfs/dbraw/zinc/52/29/08/553522908.db2.gz LUEHNUOIXOUBEF-VWLOTQADSA-N 0 0 520.033 4.980 50 0 KJAARN COc1ccc(-c2nc3cc(Cl)ccc3cc2CN(C[C@H]2CCCO2)C(=O)Cn2nc(C)nc2C)cc1 ZINC000014971173 553522883 /nfs/dbraw/zinc/52/28/83/553522883.db2.gz LUEHNUOIXOUBEF-RUZDIDTESA-N 0 0 520.033 4.980 50 0 KJAARN COc1ccccc1CCC(=O)N(Cc1cc2cc3c(cc2nc1N1CCOCC1)CCC3)C[C@@H]1CCCO1 ZINC000014971500 1067160257 /nfs/dbraw/zinc/16/02/57/1067160257.db2.gz JYEOKCABINSOLZ-NDEPHWFRSA-N 0 0 529.681 4.709 50 0 KJAARN COc1ccccc1CCC(=O)N(Cc1cc2cc3c(cc2nc1N1CCOCC1)CCC3)C[C@H]1CCCO1 ZINC000014971505 1067160350 /nfs/dbraw/zinc/16/03/50/1067160350.db2.gz JYEOKCABINSOLZ-MUUNZHRXSA-N 0 0 529.681 4.709 50 0 KJAARN COc1cccc(-c2nc3cc4c(cc3cc2CN(C(=O)Cn2nc(C)nc2C)C2CC2)CCC4)c1OC ZINC000014973488 553522904 /nfs/dbraw/zinc/52/29/04/553522904.db2.gz BMTWDDYTVSKFEW-UHFFFAOYSA-N 0 0 511.626 4.807 50 0 KJAARN COc1ccc(CN2CCN(c3cccc4c3C(=O)N(Cc3cccc(C(F)(F)F)c3)C4=O)CC2)cc1O ZINC000014976156 1067160877 /nfs/dbraw/zinc/16/08/77/1067160877.db2.gz QIDGSZZGOMJYFT-UHFFFAOYSA-N 0 0 525.527 4.538 50 0 KJAARN COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)C2 ZINC000014976442 1067160752 /nfs/dbraw/zinc/16/07/52/1067160752.db2.gz UFNMCYZDBNPROQ-NRFANRHFSA-N 0 0 521.013 4.761 50 0 KJAARN COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)C2 ZINC000014976445 1067160771 /nfs/dbraw/zinc/16/07/71/1067160771.db2.gz UFNMCYZDBNPROQ-OAQYLSRUSA-N 0 0 521.013 4.761 50 0 KJAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3C(F)(F)F)c(N3CCOCC3)nc2c1 ZINC000014979378 553523132 /nfs/dbraw/zinc/52/31/32/553523132.db2.gz SADGLJJOHLWXON-QFIPXVFZSA-N 0 0 529.559 4.920 50 0 KJAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3C(F)(F)F)c(N3CCOCC3)nc2c1 ZINC000014979381 553523152 /nfs/dbraw/zinc/52/31/52/553523152.db2.gz SADGLJJOHLWXON-JOCHJYFZSA-N 0 0 529.559 4.920 50 0 KJAARN O=C(c1cnc2ccccn2c1=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000014979608 553523144 /nfs/dbraw/zinc/52/31/44/553523144.db2.gz OQVJWRCQRKSLNS-UHFFFAOYSA-N 0 0 508.553 4.693 50 0 KJAARN O=C(Cc1ccc(F)cc1)N1CCN(c2cccc3c2C(=O)N(Cc2cc4ccccc4s2)C3=O)CC1 ZINC000014979875 1067160916 /nfs/dbraw/zinc/16/09/16/1067160916.db2.gz NXKONYIMOUZUHK-UHFFFAOYSA-N 0 0 513.594 4.728 50 0 KJAARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)cc1OC ZINC000014980659 553523197 /nfs/dbraw/zinc/52/31/97/553523197.db2.gz HTSMGADUTRCKMC-QFIPXVFZSA-N 0 0 506.603 4.978 50 0 KJAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)cc1OC ZINC000014980661 553523194 /nfs/dbraw/zinc/52/31/94/553523194.db2.gz HTSMGADUTRCKMC-JOCHJYFZSA-N 0 0 506.603 4.978 50 0 KJAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(NC(C)=O)cc3)c(N3CCCC3)nc2c1 ZINC000014981635 1066495264 /nfs/dbraw/zinc/49/52/64/1066495264.db2.gz MEPDJIFLYHVFKM-SANMLTNESA-N 0 0 502.615 4.623 50 0 KJAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(NC(C)=O)cc3)c(N3CCCC3)nc2c1 ZINC000014981637 1066495382 /nfs/dbraw/zinc/49/53/82/1066495382.db2.gz MEPDJIFLYHVFKM-AREMUKBSSA-N 0 0 502.615 4.623 50 0 KJAARN COCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000014981983 1067160861 /nfs/dbraw/zinc/16/08/61/1067160861.db2.gz NRSZOHPSARDYKT-UHFFFAOYSA-N 0 0 500.521 4.806 50 0 KJAARN COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2CN(C[C@@H]2CCCO2)C(=O)Cn2ccc(C)n2)c1 ZINC000014982687 553523546 /nfs/dbraw/zinc/52/35/46/553523546.db2.gz WNYCDFMBSYICQO-VWLOTQADSA-N 0 0 530.625 4.640 50 0 KJAARN COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2CN(C[C@H]2CCCO2)C(=O)Cn2ccc(C)n2)c1 ZINC000014982689 553523637 /nfs/dbraw/zinc/52/36/37/553523637.db2.gz WNYCDFMBSYICQO-RUZDIDTESA-N 0 0 530.625 4.640 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)N(Cc1ccco1)Cc1cc2cc3c(cc2nc1N1CCOCC1)CCC3 ZINC000014983230 1067160682 /nfs/dbraw/zinc/16/06/82/1067160682.db2.gz GVWUYXJHFPDKGP-UHFFFAOYSA-N 0 0 511.578 4.724 50 0 KJAARN O=C(c1ccc(-c2ccc(F)cc2)nc1N1CCC[C@@H](CO)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000014984382 553523465 /nfs/dbraw/zinc/52/34/65/553523465.db2.gz NDLOVZIRBSPVRZ-JJZPWCRDSA-N 0 0 514.645 4.568 50 0 KJAARN O=C(c1ccc(-c2ccc(F)cc2)nc1N1CCC[C@H](CO)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000014984384 553523606 /nfs/dbraw/zinc/52/36/06/553523606.db2.gz NDLOVZIRBSPVRZ-HATBAZKYSA-N 0 0 514.645 4.568 50 0 KJAARN COc1ccc(S(=O)(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@@H]2CCCO2)cc1OC ZINC000014984904 1066197089 /nfs/dbraw/zinc/19/70/89/1066197089.db2.gz ODDPCKFYLMCGGG-DEOSSOPVSA-N 0 0 529.630 4.834 50 0 KJAARN COc1ccc(S(=O)(=O)N(Cc2cccc(OCCc3ccccc3F)c2)C[C@H]2CCCO2)cc1OC ZINC000014984907 1066197139 /nfs/dbraw/zinc/19/71/39/1066197139.db2.gz ODDPCKFYLMCGGG-XMMPIXPASA-N 0 0 529.630 4.834 50 0 KJAARN COc1ccc(CN(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C(=O)Cc2csc(C)n2)cc1 ZINC000014985132 1066495385 /nfs/dbraw/zinc/49/53/85/1066495385.db2.gz WAUDNBFUCNXFSX-UHFFFAOYSA-N 0 0 520.655 4.863 50 0 KJAARN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cccc(OCCc2ccsc2)c1)C[C@@H]1CCCO1 ZINC000014985809 1066495362 /nfs/dbraw/zinc/49/53/62/1066495362.db2.gz IXKKOWYYSNNOQH-QHCPKHFHSA-N 0 0 515.653 4.526 50 0 KJAARN COC(=O)c1ccccc1S(=O)(=O)N(Cc1cccc(OCCc2ccsc2)c1)C[C@H]1CCCO1 ZINC000014985812 1066495245 /nfs/dbraw/zinc/49/52/45/1066495245.db2.gz IXKKOWYYSNNOQH-HSZRJFAPSA-N 0 0 515.653 4.526 50 0 KJAARN COCc1c(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000014986223 553523432 /nfs/dbraw/zinc/52/34/32/553523432.db2.gz LWFNITXCCHUXFR-HHHXNRCGSA-N 0 0 534.100 4.515 50 0 KJAARN COCc1c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000014986225 553523563 /nfs/dbraw/zinc/52/35/63/553523563.db2.gz LWFNITXCCHUXFR-MHZLTWQESA-N 0 0 534.100 4.515 50 0 KJAARN Cc1ccccc1CC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cccc4ccccc42)C3=O)CC1 ZINC000014986261 553523513 /nfs/dbraw/zinc/52/35/13/553523513.db2.gz KTCPGHMNWHJAKS-UHFFFAOYSA-N 0 0 503.602 4.836 50 0 KJAARN COc1cccc(OC)c1C(=O)N(Cc1ccc(OC2Cc3ccccc3C2)cc1)[C@H]1CCCCNC1=O ZINC000014986534 1067160798 /nfs/dbraw/zinc/16/07/98/1067160798.db2.gz KXPNYMLESXFGCG-SANMLTNESA-N 0 0 514.622 4.561 50 0 KJAARN COCCN(Cc1cc2cc3c(cc2nc1-c1cccc(Cl)c1)OCO3)C(=O)c1cc(C)c(C)[nH]c1=O ZINC000014986613 553523442 /nfs/dbraw/zinc/52/34/42/553523442.db2.gz RMNFDAZDGXRFRP-UHFFFAOYSA-N 0 0 519.985 4.878 50 0 KJAARN Cc1ccn(CCC(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3ccc(Cl)cc3nc2N(C)C)n1 ZINC000014986758 553523612 /nfs/dbraw/zinc/52/36/12/553523612.db2.gz SHACPZLKQQZLEA-UHFFFAOYSA-N 0 0 506.006 4.807 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2ccccc2)c2nnc(SCC3CCCCC3)n2C)c1 ZINC000014987081 553523773 /nfs/dbraw/zinc/52/37/73/553523773.db2.gz OPVMWZLWKQMMEQ-QFIPXVFZSA-N 0 0 530.716 4.767 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)N[C@H](Cc2ccccc2)c2nnc(SCC3CCCCC3)n2C)c1 ZINC000014987083 553523863 /nfs/dbraw/zinc/52/38/63/553523863.db2.gz OPVMWZLWKQMMEQ-JOCHJYFZSA-N 0 0 530.716 4.767 50 0 KJAARN COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C(=O)c1cccc(N3CCNC3=O)c1)C2 ZINC000014987229 1067160707 /nfs/dbraw/zinc/16/07/07/1067160707.db2.gz CQRMCTVOBDHYSY-UHFFFAOYSA-N 0 0 507.974 4.589 50 0 KJAARN Cc1nonc1CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000014987723 553523826 /nfs/dbraw/zinc/52/38/26/553523826.db2.gz XKIOMQUCNLQDTI-UHFFFAOYSA-N 0 0 526.593 4.912 50 0 KJAARN Cc1ccc(-c2cc3c(c(OC[C@@H]4CCCCO4)c2)OCCN(C(=O)c2cnn4cccnc24)C3)s1 ZINC000014987840 1067160779 /nfs/dbraw/zinc/16/07/79/1067160779.db2.gz YJHOGFVQTXNGQZ-NRFANRHFSA-N 0 0 504.612 4.749 50 0 KJAARN Cc1ccc(-c2cc3c(c(OC[C@H]4CCCCO4)c2)OCCN(C(=O)c2cnn4cccnc24)C3)s1 ZINC000014987844 1067160600 /nfs/dbraw/zinc/16/06/00/1067160600.db2.gz YJHOGFVQTXNGQZ-OAQYLSRUSA-N 0 0 504.612 4.749 50 0 KJAARN O=C(COc1ccc(-c2csc3ccccc32)cc1CN1CCOCC1)N(CCO)Cc1ccccc1 ZINC000014988374 553523848 /nfs/dbraw/zinc/52/38/48/553523848.db2.gz LNXYMKBTTVCPHW-UHFFFAOYSA-N 0 0 516.663 4.800 50 0 KJAARN COc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3cncs3)cc2c(OC)c1OC ZINC000014988467 1067160937 /nfs/dbraw/zinc/16/09/37/1067160937.db2.gz GNKIXCCQTPFZTP-UHFFFAOYSA-N 0 0 524.618 4.807 50 0 KJAARN Cc1ccccc1-c1cc2c(c(OC[C@@H]3CCOC3)c1)OCCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 ZINC000014988930 553523889 /nfs/dbraw/zinc/52/38/89/553523889.db2.gz POCPCSSMCUVNNU-LJQANCHMSA-N 0 0 515.578 4.939 50 0 KJAARN Cc1ccccc1-c1cc2c(c(OC[C@H]3CCOC3)c1)OCCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 ZINC000014988932 553523776 /nfs/dbraw/zinc/52/37/76/553523776.db2.gz POCPCSSMCUVNNU-IBGZPJMESA-N 0 0 515.578 4.939 50 0 KJAARN Cc1nonc1CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccc(C(F)(F)F)cc1 ZINC000014989586 553523794 /nfs/dbraw/zinc/52/37/94/553523794.db2.gz NPOQZJZJJYQHIH-IRLDBZIGSA-N 0 0 508.541 4.930 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)N(Cc1ccco1)Cc1cc2ccc(Cl)cc2nc1N1CCOCC1 ZINC000014989653 1066495954 /nfs/dbraw/zinc/49/59/54/1066495954.db2.gz XHRWJHWFOZRQSD-UHFFFAOYSA-N 0 0 505.958 4.889 50 0 KJAARN O=C(COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1)NCc1ccc(Cl)cc1 ZINC000014991034 553523914 /nfs/dbraw/zinc/52/39/14/553523914.db2.gz GHHPQFMHLTWWDO-UHFFFAOYSA-N 0 0 528.056 4.814 50 0 KJAARN COCc1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000014991461 553524206 /nfs/dbraw/zinc/52/42/06/553524206.db2.gz BCRYJWDKWLQTTI-YRNVUSSQSA-N 0 0 520.073 4.670 50 0 KJAARN O=C(NCc1nnc(SCc2ccccc2Cl)n1Cc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000014991599 553524204 /nfs/dbraw/zinc/52/42/04/553524204.db2.gz CWISJAPWACNPDK-QHCPKHFHSA-N 0 0 507.015 4.728 50 0 KJAARN O=C(NCc1nnc(SCc2ccccc2Cl)n1Cc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000014991602 553524190 /nfs/dbraw/zinc/52/41/90/553524190.db2.gz CWISJAPWACNPDK-HSZRJFAPSA-N 0 0 507.015 4.728 50 0 KJAARN COc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c1OC ZINC000014993079 553524135 /nfs/dbraw/zinc/52/41/35/553524135.db2.gz YAQMJJIGJZCDST-QFIPXVFZSA-N 0 0 506.603 4.978 50 0 KJAARN COc1cccc(C(=O)N[C@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c1OC ZINC000014993081 553524185 /nfs/dbraw/zinc/52/41/85/553524185.db2.gz YAQMJJIGJZCDST-JOCHJYFZSA-N 0 0 506.603 4.978 50 0 KJAARN COc1cc(CN(C(=O)c2ccccc2F)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000014993505 553524355 /nfs/dbraw/zinc/52/43/55/553524355.db2.gz XSOUXNQVHMUVNM-QFIPXVFZSA-N 0 0 511.619 4.532 50 0 KJAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(Cn3nc(C)cc3C)c2)CN1CCC1=C(C)CCCC1(C)C ZINC000014994731 1067160720 /nfs/dbraw/zinc/16/07/20/1067160720.db2.gz DMLPWROXCZBMNO-VPUSJEBWSA-N 0 0 506.691 4.811 50 0 KJAARN COc1ccc(OC)c(C(=O)N[C@@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c1 ZINC000014994787 553524285 /nfs/dbraw/zinc/52/42/85/553524285.db2.gz BDIGHNCXLMBGEI-QHCPKHFHSA-N 0 0 506.603 4.978 50 0 KJAARN COc1ccc(OC)c(C(=O)N[C@H](Cc2ccccc2)c2nnc(SCc3ccccc3F)n2C)c1 ZINC000014994789 553524282 /nfs/dbraw/zinc/52/42/82/553524282.db2.gz BDIGHNCXLMBGEI-HSZRJFAPSA-N 0 0 506.603 4.978 50 0 KJAARN COc1cccc(-n2c(CNC(=O)c3cccc(OC)c3OC)nnc2SCCc2ccccc2)c1 ZINC000014995146 553524408 /nfs/dbraw/zinc/52/44/08/553524408.db2.gz QRAFDQDLYSTSRR-UHFFFAOYSA-N 0 0 504.612 4.558 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)NCc2nnc(SCC3CCCCC3)n2-c2ccc(F)cc2)c1 ZINC000014996039 553524275 /nfs/dbraw/zinc/52/42/75/553524275.db2.gz RUSFOPDDOHIAQP-UHFFFAOYSA-N 0 0 520.652 4.575 50 0 KJAARN COc1ccc(CN(Cc2cc3ccc(F)cc3nc2N2CCC(O)CC2)C(=O)c2csc(C)n2)cc1 ZINC000014996462 1067160976 /nfs/dbraw/zinc/16/09/76/1067160976.db2.gz BCUBCAMXAOLKPS-UHFFFAOYSA-N 0 0 520.630 4.951 50 0 KJAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(OC)cc3OC)c(N3CCCC3)nc2c1 ZINC000014996647 1066495840 /nfs/dbraw/zinc/49/58/40/1066495840.db2.gz DGALXZJCSXTKTM-DEOSSOPVSA-N 0 0 505.615 4.682 50 0 KJAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(OC)cc3OC)c(N3CCCC3)nc2c1 ZINC000014996650 1066495822 /nfs/dbraw/zinc/49/58/22/1066495822.db2.gz DGALXZJCSXTKTM-XMMPIXPASA-N 0 0 505.615 4.682 50 0 KJAARN Cc1nn(CC(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)c(=O)c2ccccc12 ZINC000014996778 1067160960 /nfs/dbraw/zinc/16/09/60/1067160960.db2.gz LNAVOAPXVGFVBM-VWLOTQADSA-N 0 0 517.651 4.596 50 0 KJAARN Cc1nn(CC(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@H]2CCCO2)c(=O)c2ccccc12 ZINC000014996781 1067160813 /nfs/dbraw/zinc/16/08/13/1067160813.db2.gz LNAVOAPXVGFVBM-RUZDIDTESA-N 0 0 517.651 4.596 50 0 KJAARN COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)C2 ZINC000014997495 1067160967 /nfs/dbraw/zinc/16/09/67/1067160967.db2.gz TVOSLQKVHPDWLP-QHCPKHFHSA-N 0 0 502.636 4.821 50 0 KJAARN COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)C2 ZINC000014997499 1067160787 /nfs/dbraw/zinc/16/07/87/1067160787.db2.gz TVOSLQKVHPDWLP-HSZRJFAPSA-N 0 0 502.636 4.821 50 0 KJAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CN1Cc1ccc(O)cc1 ZINC000014997558 1067160637 /nfs/dbraw/zinc/16/06/37/1067160637.db2.gz AJARSLIPESHLOL-RDPSFJRHSA-N 0 0 503.986 4.740 50 0 KJAARN COc1cc(CN(C(=O)c2cccc(N3CCCC3=O)c2)C2CCCC2)cc(OC)c1OC[C@@H]1CCCO1 ZINC000014998007 1067161672 /nfs/dbraw/zinc/16/16/72/1067161672.db2.gz VXSAXVVWKAYDQF-VWLOTQADSA-N 0 0 522.642 4.973 50 0 KJAARN COc1cc(CN(C(=O)c2cccc(N3CCCC3=O)c2)C2CCCC2)cc(OC)c1OC[C@H]1CCCO1 ZINC000014998011 1067161487 /nfs/dbraw/zinc/16/14/87/1067161487.db2.gz VXSAXVVWKAYDQF-RUZDIDTESA-N 0 0 522.642 4.973 50 0 KJAARN COc1cc(CN(C(=O)c2ccc(F)cc2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000014998012 1066495803 /nfs/dbraw/zinc/49/58/03/1066495803.db2.gz HJWZUYYLZCRPOY-QFIPXVFZSA-N 0 0 511.619 4.532 50 0 KJAARN COc1cccc(-n2c(CNC(=O)c3cccc(N4CCCC4=O)c3)nnc2SCCc2ccccc2)c1 ZINC000014999240 553524881 /nfs/dbraw/zinc/52/48/81/553524881.db2.gz RIEKCRRAVJUYCI-UHFFFAOYSA-N 0 0 527.650 4.668 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cccc(C(F)(F)F)c2)cc1OCC1(C)COC1 ZINC000014999749 553525011 /nfs/dbraw/zinc/52/50/11/553525011.db2.gz DXUOXWKXXHZXSR-QFIPXVFZSA-N 0 0 507.549 4.880 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cccc(C(F)(F)F)c2)cc1OCC1(C)COC1 ZINC000014999752 553524870 /nfs/dbraw/zinc/52/48/70/553524870.db2.gz DXUOXWKXXHZXSR-JOCHJYFZSA-N 0 0 507.549 4.880 50 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COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1OC ZINC000015217738 553528698 /nfs/dbraw/zinc/52/86/98/553528698.db2.gz FTZGSENMXNQEPI-QGZVFWFLSA-N 0 0 514.534 4.874 50 0 KJAARN CCOc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)Cc2ccc(OCC)c(OCC)c2)cc1OCC ZINC000015225979 553529308 /nfs/dbraw/zinc/52/93/08/553529308.db2.gz XYCYOQOQDKVBDL-PSWAGMNNSA-N 0 0 526.674 4.610 50 0 KJAARN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000015227403 553529312 /nfs/dbraw/zinc/52/93/12/553529312.db2.gz PXZMQFAHIIZHTP-SFHVURJKSA-N 0 0 517.445 4.921 50 0 KJAARN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000015227405 553529299 /nfs/dbraw/zinc/52/92/99/553529299.db2.gz PXZMQFAHIIZHTP-GOSISDBHSA-N 0 0 517.445 4.921 50 0 KJAARN Cc1ccc(C(=O)N[C@@H](NCc2ccccc2)C(Br)(Br)Br)cc1 ZINC000015229477 553529693 /nfs/dbraw/zinc/52/96/93/553529693.db2.gz RQWHDONRTVQVBK-MRXNPFEDSA-N 0 0 505.048 4.679 50 0 KJAARN Cc1ccc(C(=O)N[C@H](NCc2ccccc2)C(Br)(Br)Br)cc1 ZINC000015229479 553529664 /nfs/dbraw/zinc/52/96/64/553529664.db2.gz RQWHDONRTVQVBK-INIZCTEOSA-N 0 0 505.048 4.679 50 0 KJAARN COc1ccc(CCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015229743 553529695 /nfs/dbraw/zinc/52/96/95/553529695.db2.gz NIJXPGQOYCOHCT-UHFFFAOYSA-N 0 0 507.439 4.865 50 0 KJAARN COc1ccc(CCNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000015231055 553529918 /nfs/dbraw/zinc/52/99/18/553529918.db2.gz UQNXNAGNCOOZHV-UHFFFAOYSA-N 0 0 517.047 4.528 50 0 KJAARN COc1ccc(CCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000015231061 553530109 /nfs/dbraw/zinc/53/01/09/553530109.db2.gz VUHOXIIBTILKPC-UHFFFAOYSA-N 0 0 510.656 4.690 50 0 KJAARN CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)CC1 ZINC000015276501 553530525 /nfs/dbraw/zinc/53/05/25/553530525.db2.gz XSXJFILTQNWNSR-UHFFFAOYSA-N 0 0 510.660 4.778 50 0 KJAARN CC[C@]1(C(=O)c2ccc(Br)cc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC ZINC000015276676 553530523 /nfs/dbraw/zinc/53/05/23/553530523.db2.gz RWTSRXYOMIUXBG-DQLDELGASA-N 0 0 508.162 4.667 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000015277476 553530747 /nfs/dbraw/zinc/53/07/47/553530747.db2.gz BIKPECHOPPMFFJ-UHFFFAOYSA-N 0 0 504.605 4.574 50 0 KJAARN Cc1ccc(OCc2nnc(SCc3nc4ccccc4c(=O)n3-c3ccccc3Cl)n2N)cc1C ZINC000015304040 553530960 /nfs/dbraw/zinc/53/09/60/553530960.db2.gz AQZQMWJKRVSDBA-UHFFFAOYSA-N 0 0 519.030 4.833 50 0 KJAARN COc1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)cc1 ZINC000015304461 553531077 /nfs/dbraw/zinc/53/10/77/553531077.db2.gz KOBLCNZILDQXFU-UHFFFAOYSA-N 0 0 518.566 4.886 50 0 KJAARN O=C(NC(NCc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1I ZINC000015304625 553531094 /nfs/dbraw/zinc/53/10/94/553531094.db2.gz XJCQPVLVNDQQSR-UHFFFAOYSA-N 0 0 502.196 4.632 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000015305962 553531311 /nfs/dbraw/zinc/53/13/11/553531311.db2.gz HMMPILUFTLWJKT-ZEQRLZLVSA-N 0 0 506.734 4.850 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000015305966 553531365 /nfs/dbraw/zinc/53/13/65/553531365.db2.gz HMMPILUFTLWJKT-DNQXCXABSA-N 0 0 506.734 4.850 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000015305970 553531377 /nfs/dbraw/zinc/53/13/77/553531377.db2.gz HMMPILUFTLWJKT-PSWAGMNNSA-N 0 0 506.734 4.850 50 0 KJAARN C[C@@H]1CCCCN1C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)N2CCCC[C@H]2C)c1 ZINC000015305983 553531407 /nfs/dbraw/zinc/53/14/07/553531407.db2.gz MBJBVHKOGMJIJU-RTBURBONSA-N 0 0 501.624 4.656 50 0 KJAARN C[C@@H]1CCCCN1C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)N2CCCC[C@@H]2C)c1 ZINC000015305988 553531373 /nfs/dbraw/zinc/53/13/73/553531373.db2.gz MBJBVHKOGMJIJU-KDURUIRLSA-N 0 0 501.624 4.656 50 0 KJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015317966 553531510 /nfs/dbraw/zinc/53/15/10/553531510.db2.gz QNDFKFUZJNLKFJ-UHFFFAOYSA-N 0 0 518.664 4.779 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000015320133 553531806 /nfs/dbraw/zinc/53/18/06/553531806.db2.gz WKCCTSMOZPUCGS-VWLOTQADSA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000015320136 553531783 /nfs/dbraw/zinc/53/17/83/553531783.db2.gz WKCCTSMOZPUCGS-RUZDIDTESA-N 0 0 515.566 4.547 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2cccs2)cc1 ZINC000015320205 553531891 /nfs/dbraw/zinc/53/18/91/553531891.db2.gz SARLTVYSGIWLRA-QHCPKHFHSA-N 0 0 509.653 4.729 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2cccs2)cc1 ZINC000015320208 553531882 /nfs/dbraw/zinc/53/18/82/553531882.db2.gz SARLTVYSGIWLRA-HSZRJFAPSA-N 0 0 509.653 4.729 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCc3sccc3C)C2=S)cc1 ZINC000015320229 553531845 /nfs/dbraw/zinc/53/18/45/553531845.db2.gz KOGYCAFCGQCDON-JOCHJYFZSA-N 0 0 521.664 4.807 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCc3sccc3C)C2=S)cc1 ZINC000015320232 553531854 /nfs/dbraw/zinc/53/18/54/553531854.db2.gz KOGYCAFCGQCDON-QFIPXVFZSA-N 0 0 521.664 4.807 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2sccc2C)cc1 ZINC000015320240 553531884 /nfs/dbraw/zinc/53/18/84/553531884.db2.gz VVAPKKWTBKPSHC-QFIPXVFZSA-N 0 0 505.596 4.642 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2sccc2C)cc1 ZINC000015320243 553531856 /nfs/dbraw/zinc/53/18/56/553531856.db2.gz VVAPKKWTBKPSHC-JOCHJYFZSA-N 0 0 505.596 4.642 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000015320265 553531908 /nfs/dbraw/zinc/53/19/08/553531908.db2.gz CENVWFYPARVNEO-QHCPKHFHSA-N 0 0 507.493 4.508 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000015320267 553531866 /nfs/dbraw/zinc/53/18/66/553531866.db2.gz CENVWFYPARVNEO-HSZRJFAPSA-N 0 0 507.493 4.508 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCc2sccc2C)cc1 ZINC000015320865 553532172 /nfs/dbraw/zinc/53/21/72/553532172.db2.gz GZLSQPHLFZACMU-QFIPXVFZSA-N 0 0 509.653 4.647 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCc2sccc2C)cc1 ZINC000015320868 553532166 /nfs/dbraw/zinc/53/21/66/553532166.db2.gz GZLSQPHLFZACMU-JOCHJYFZSA-N 0 0 509.653 4.647 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCc2sccc2C)cc1 ZINC000015320939 553532169 /nfs/dbraw/zinc/53/21/69/553532169.db2.gz OHCXDOREXBVXRU-QHCPKHFHSA-N 0 0 507.612 4.873 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCc2sccc2C)cc1 ZINC000015320942 553532167 /nfs/dbraw/zinc/53/21/67/553532167.db2.gz OHCXDOREXBVXRU-HSZRJFAPSA-N 0 0 507.612 4.873 50 0 KJAARN COc1ccccc1NC(=O)[C@]12C(=O)Oc3ccccc3[C@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 ZINC000015321004 553532160 /nfs/dbraw/zinc/53/21/60/553532160.db2.gz LBNPGPOZWDHUNJ-MZBJOSPHSA-N 0 0 506.352 4.988 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(F)cc2)c1 ZINC000015321233 553532239 /nfs/dbraw/zinc/53/22/39/553532239.db2.gz QNOMTTXIASSGFC-DEOSSOPVSA-N 0 0 503.530 4.677 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(F)cc2)c1 ZINC000015321236 553532294 /nfs/dbraw/zinc/53/22/94/553532294.db2.gz QNOMTTXIASSGFC-XMMPIXPASA-N 0 0 503.530 4.677 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccc(F)cc2)c1 ZINC000015321245 553532217 /nfs/dbraw/zinc/53/22/17/553532217.db2.gz DEOYKSUOROYNOO-QHCPKHFHSA-N 0 0 507.493 4.508 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccc(F)cc2)c1 ZINC000015321248 553532290 /nfs/dbraw/zinc/53/22/90/553532290.db2.gz DEOYKSUOROYNOO-HSZRJFAPSA-N 0 0 507.493 4.508 50 0 KJAARN CON(S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000015321316 553532261 /nfs/dbraw/zinc/53/22/61/553532261.db2.gz RCUYVKOAXGBQQL-UHFFFAOYSA-N 0 0 503.601 4.770 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(ccc(Cl)c4Cl)s3)cc2)C[C@H](C)O1 ZINC000015357128 553532542 /nfs/dbraw/zinc/53/25/42/553532542.db2.gz ZFNADBLHYAPYQA-TXEJJXNPSA-N 0 0 500.429 4.653 50 0 KJAARN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000015441257 553533321 /nfs/dbraw/zinc/53/33/21/553533321.db2.gz NMALUPSEXDKIGR-UHFFFAOYSA-N 0 0 503.602 4.760 50 0 KJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000015441639 553533597 /nfs/dbraw/zinc/53/35/97/553533597.db2.gz DUYMHLRXFPTXBA-UHFFFAOYSA-N 0 0 516.604 4.681 50 0 KJAARN COC(=O)c1c(NC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](C)C2 ZINC000015544610 553533454 /nfs/dbraw/zinc/53/34/54/553533454.db2.gz OBSFTFZMQKZHCF-SFHVURJKSA-N 0 0 523.607 4.799 50 0 KJAARN COC(=O)c1c(NC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@@H](C)C2 ZINC000015544618 553533506 /nfs/dbraw/zinc/53/35/06/553533506.db2.gz OBSFTFZMQKZHCF-GOSISDBHSA-N 0 0 523.607 4.799 50 0 KJAARN Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1Cc1ccccc1 ZINC000015623707 553533700 /nfs/dbraw/zinc/53/37/00/553533700.db2.gz QVUZWWMIJHNJTF-UHFFFAOYSA-N 0 0 508.401 4.958 50 0 KJAARN Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1Cl ZINC000015634974 553533703 /nfs/dbraw/zinc/53/37/03/553533703.db2.gz CMQWZGSNBDGHIB-FQEVSTJZSA-N 0 0 516.381 4.716 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000015635059 553533673 /nfs/dbraw/zinc/53/36/73/553533673.db2.gz ICFAQYYHCGKQEH-VWLOTQADSA-N 0 0 516.619 4.733 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000015659538 553533924 /nfs/dbraw/zinc/53/39/24/553533924.db2.gz RAWGMSPBNPGWIZ-GMPUOFRTSA-N 0 0 519.022 4.614 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000015659540 553533892 /nfs/dbraw/zinc/53/38/92/553533892.db2.gz RAWGMSPBNPGWIZ-BQKWAYIGSA-N 0 0 519.022 4.614 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc2)cc1OC ZINC000015685257 553534441 /nfs/dbraw/zinc/53/44/41/553534441.db2.gz HERQVUBMTUZTTO-UHFFFAOYSA-N 0 0 508.518 4.552 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1cccc(C(C)=O)c1 ZINC000015732650 553535464 /nfs/dbraw/zinc/53/54/64/553535464.db2.gz BEDGTOZLONBYGQ-HHHXNRCGSA-N 0 0 513.619 4.886 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1cccc(C(C)=O)c1 ZINC000015732651 553535466 /nfs/dbraw/zinc/53/54/66/553535466.db2.gz BEDGTOZLONBYGQ-MHZLTWQESA-N 0 0 513.619 4.886 50 0 KJAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3)S2(=O)=O)cc1 ZINC000015732914 553535473 /nfs/dbraw/zinc/53/54/73/553535473.db2.gz SAJKHNFTNOHUIE-UHFFFAOYSA-N 0 0 504.608 4.976 50 0 KJAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)N[C@H](c4cccs4)C(C)C)cc3)S2(=O)=O)cc1 ZINC000015732922 553535732 /nfs/dbraw/zinc/53/57/32/553535732.db2.gz KOCCHYCJVFIVPS-DEOSSOPVSA-N 0 0 524.664 4.987 50 0 KJAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)N[C@@H](c4cccs4)C(C)C)cc3)S2(=O)=O)cc1 ZINC000015732923 553535669 /nfs/dbraw/zinc/53/56/69/553535669.db2.gz KOCCHYCJVFIVPS-XMMPIXPASA-N 0 0 524.664 4.987 50 0 KJAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(Br)s4)nn3)CC2)cc1OC ZINC000015734932 553535714 /nfs/dbraw/zinc/53/57/14/553535714.db2.gz RHRKHYAGEUHNNU-UHFFFAOYSA-N 0 0 503.422 4.840 50 0 KJAARN COc1ccc([C@@H](NC(=O)/C=C\c2ccco2)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000015745704 553535779 /nfs/dbraw/zinc/53/57/79/553535779.db2.gz OSDFSCCKYKKYHA-NECUJFQYSA-N 0 0 502.361 4.996 50 0 KJAARN COc1ccc([C@H](NC(=O)/C=C\c2ccco2)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000015745706 553535844 /nfs/dbraw/zinc/53/58/44/553535844.db2.gz OSDFSCCKYKKYHA-SINIUOCSSA-N 0 0 502.361 4.996 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000015746555 553536052 /nfs/dbraw/zinc/53/60/52/553536052.db2.gz WAUKPQHMYUVSLL-KRWDZBQOSA-N 0 0 509.242 4.929 50 0 KJAARN CCCCOC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000015746562 553536071 /nfs/dbraw/zinc/53/60/71/553536071.db2.gz YWSVOANFEAHAPH-HXUWFJFHSA-N 0 0 516.878 4.985 50 0 KJAARN CCCCOC(=O)c1ccc(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000015746564 553536037 /nfs/dbraw/zinc/53/60/37/553536037.db2.gz YWSVOANFEAHAPH-FQEVSTJZSA-N 0 0 516.878 4.985 50 0 KJAARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccc(Br)cc2)cc1 ZINC000015767568 553536092 /nfs/dbraw/zinc/53/60/92/553536092.db2.gz PBHRMZDQRXOVDJ-PXLXIMEGSA-N 0 0 509.356 4.654 50 0 KJAARN Cc1ccc(C)c(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000015769595 553536215 /nfs/dbraw/zinc/53/62/15/553536215.db2.gz OBPUOEDPCHOCNA-UHFFFAOYSA-N 0 0 520.392 4.742 50 0 KJAARN CCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000015777221 553536219 /nfs/dbraw/zinc/53/62/19/553536219.db2.gz VQJLBWRHKBHWEU-LBPRGKRZSA-N 0 0 508.640 4.580 50 0 KJAARN CCCCC(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000015777223 553536277 /nfs/dbraw/zinc/53/62/77/553536277.db2.gz VQJLBWRHKBHWEU-GFCCVEGCSA-N 0 0 508.640 4.580 50 0 KJAARN CCCCC(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000015777229 553536194 /nfs/dbraw/zinc/53/61/94/553536194.db2.gz VJTACTJGLJILRG-LBPRGKRZSA-N 0 0 508.640 4.580 50 0 KJAARN CCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000015777231 553536205 /nfs/dbraw/zinc/53/62/05/553536205.db2.gz VJTACTJGLJILRG-GFCCVEGCSA-N 0 0 508.640 4.580 50 0 KJAARN Cc1cc(C)c(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@H](C)CC2=O)c(C)c1 ZINC000015785605 553536603 /nfs/dbraw/zinc/53/66/03/553536603.db2.gz RGBMRWBFFBSGTB-HXUWFJFHSA-N 0 0 515.701 4.642 50 0 KJAARN Cc1cc(C)c(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@@H](C)CC2=O)c(C)c1 ZINC000015785606 553536608 /nfs/dbraw/zinc/53/66/08/553536608.db2.gz RGBMRWBFFBSGTB-FQEVSTJZSA-N 0 0 515.701 4.642 50 0 KJAARN CCc1cccc(C)c1NC(=O)CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2S[C@H](C)CC1=O ZINC000015785609 553536590 /nfs/dbraw/zinc/53/65/90/553536590.db2.gz CHHAZGGFRLHBII-LJQANCHMSA-N 0 0 515.701 4.588 50 0 KJAARN CCc1cccc(C)c1NC(=O)CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2S[C@@H](C)CC1=O ZINC000015785610 553536548 /nfs/dbraw/zinc/53/65/48/553536548.db2.gz CHHAZGGFRLHBII-IBGZPJMESA-N 0 0 515.701 4.588 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000015798903 553536725 /nfs/dbraw/zinc/53/67/25/553536725.db2.gz IWMDOAJZDDLBNY-HAHDFKILSA-N 0 0 511.994 4.880 50 0 KJAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1 ZINC000015821964 553536768 /nfs/dbraw/zinc/53/67/68/553536768.db2.gz HDLTZZAEVPGSLB-UHFFFAOYSA-N 0 0 506.006 4.991 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CC2)cc1 ZINC000015826081 553536728 /nfs/dbraw/zinc/53/67/28/553536728.db2.gz AHHNREIFZNARKA-QGZVFWFLSA-N 0 0 507.637 4.574 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CC2)cc1 ZINC000015826084 553536803 /nfs/dbraw/zinc/53/68/03/553536803.db2.gz AHHNREIFZNARKA-KRWDZBQOSA-N 0 0 507.637 4.574 50 0 KJAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000015863450 553538868 /nfs/dbraw/zinc/53/88/68/553538868.db2.gz SOKUUJZIQNMFOG-SANMLTNESA-N 0 0 505.640 4.969 50 0 KJAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000015863451 553538862 /nfs/dbraw/zinc/53/88/62/553538862.db2.gz SOKUUJZIQNMFOG-AREMUKBSSA-N 0 0 505.640 4.969 50 0 KJAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4cccc(SC)c4)cc3)S2(=O)=O)cc1 ZINC000015864512 553538837 /nfs/dbraw/zinc/53/88/37/553538837.db2.gz GDRIYNWVUJJMMW-UHFFFAOYSA-N 0 0 508.621 4.773 50 0 KJAARN O=C(C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000015864567 553538820 /nfs/dbraw/zinc/53/88/20/553538820.db2.gz RYKSXWAJCKJUCO-UHFFFAOYSA-N 0 0 526.504 4.528 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(Br)s4)nn3)CC2)cc1 ZINC000015864574 553538806 /nfs/dbraw/zinc/53/88/06/553538806.db2.gz YSGCSJWFHTYURU-UHFFFAOYSA-N 0 0 500.422 4.781 50 0 KJAARN COc1ccc(C(=O)Nc2ccc3nc(SCc4cc(=O)n5oc(C)cc5n4)sc3c2)cc1OC ZINC000015864949 553538924 /nfs/dbraw/zinc/53/89/24/553538924.db2.gz POVFLDLPEOCNIR-UHFFFAOYSA-N 0 0 508.581 4.767 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2ccc3nc(SCc4cc(=O)n5oc(C)cc5n4)sc3c2)c1 ZINC000015864951 553538920 /nfs/dbraw/zinc/53/89/20/553538920.db2.gz YPDQCSVKFZKUDO-UHFFFAOYSA-N 0 0 508.581 4.767 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880216 553539992 /nfs/dbraw/zinc/53/99/92/553539992.db2.gz JMYKARYCRIBEAZ-UHFFFAOYSA-N 0 0 512.701 4.764 50 0 KJAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880228 553539979 /nfs/dbraw/zinc/53/99/79/553539979.db2.gz ZGFXRPXGOMTDIG-LJQANCHMSA-N 0 0 510.685 4.517 50 0 KJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880229 553539944 /nfs/dbraw/zinc/53/99/44/553539944.db2.gz ZGFXRPXGOMTDIG-IBGZPJMESA-N 0 0 510.685 4.517 50 0 KJAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880236 553540009 /nfs/dbraw/zinc/54/00/09/553540009.db2.gz QYSFUJGMNNVWLA-UHFFFAOYSA-N 0 0 512.701 4.764 50 0 KJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880237 553540004 /nfs/dbraw/zinc/54/00/04/553540004.db2.gz ZCDFMAWFLYCMEQ-UHFFFAOYSA-N 0 0 524.712 4.907 50 0 KJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880238 553539884 /nfs/dbraw/zinc/53/98/84/553539884.db2.gz MCZWPXVLJTZXNA-JOCHJYFZSA-N 0 0 524.712 4.907 50 0 KJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880239 553539831 /nfs/dbraw/zinc/53/98/31/553539831.db2.gz MCZWPXVLJTZXNA-QFIPXVFZSA-N 0 0 524.712 4.907 50 0 KJAARN CCOc1cc(C(=O)NCCc2sc3nc(-c4ccc(OC)cc4)nn3c2C)cc(OCC)c1OCC ZINC000015882105 553540130 /nfs/dbraw/zinc/54/01/30/553540130.db2.gz YUYAJNZZXFWXTO-UHFFFAOYSA-N 0 0 524.643 4.943 50 0 KJAARN 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 ZINC000015894342 553540153 /nfs/dbraw/zinc/54/01/53/553540153.db2.gz WOFMFGQZHJDGCX-RDBZBYGISA-N 0 0 521.437 4.869 50 0 in-vitro KJAARN 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 ZINC000015894343 553540165 /nfs/dbraw/zinc/54/01/65/553540165.db2.gz WOFMFGQZHJDGCX-CLWZPKSSSA-N 0 0 521.437 4.869 50 0 in-vitro KJAARN Cc1nnc2nc(SCC(=O)Nc3ccc(Br)cc3)n(-c3ccc(Cl)c(C)c3)c(N)c1-2 ZINC000015899896 553540097 /nfs/dbraw/zinc/54/00/97/553540097.db2.gz AKYWAWLGZDAZSR-UHFFFAOYSA-N 0 0 517.840 4.992 50 0 KJAARN COc1ccc(N(C(=O)/C=C/c2ccc(Br)o2)S(=O)(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000015906503 553540402 /nfs/dbraw/zinc/54/04/02/553540402.db2.gz MQAYKJWSYPWEHW-YRNVUSSQSA-N 0 0 511.781 4.722 50 0 KJAARN O=C(COC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000015910205 553540713 /nfs/dbraw/zinc/54/07/13/553540713.db2.gz RGNRBDRUOPCMFR-UHFFFAOYSA-N 0 0 519.834 4.810 50 0 KJAARN Cc1sc2ncnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)c2c1C ZINC000015910309 553540708 /nfs/dbraw/zinc/54/07/08/553540708.db2.gz SMOCULCUULDSCO-UHFFFAOYSA-N 0 0 511.094 4.867 50 0 KJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000015910341 553540705 /nfs/dbraw/zinc/54/07/05/553540705.db2.gz INOYBRCYHVFHBL-BQQUOAEZSA-N 0 0 513.656 4.594 50 0 KJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000015910346 553540725 /nfs/dbraw/zinc/54/07/25/553540725.db2.gz INOYBRCYHVFHBL-VANUSSGQSA-N 0 0 513.656 4.594 50 0 KJAARN COC(=O)c1ccc(/C=C/c2sc3cc(OC)c4ccsc4c3[n+]2CCCS(=O)(=O)[O-])cc1 ZINC000015910391 553540700 /nfs/dbraw/zinc/54/07/00/553540700.db2.gz TVOZTKVECMHMSO-RMKNXTFCSA-O 0 0 504.631 4.647 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)c4cc(OC)ccc4OC)nc3c2)cc1 ZINC000015910878 553540859 /nfs/dbraw/zinc/54/08/59/553540859.db2.gz STNZLLMWEQDMMV-UHFFFAOYSA-N 0 0 514.581 4.629 50 0 KJAARN COc1ccc(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000015910917 553540880 /nfs/dbraw/zinc/54/08/80/553540880.db2.gz PJCDOHKMULOAQT-UHFFFAOYSA-N 0 0 505.946 4.593 50 0 KJAARN CC(=O)Nc1ccc(NC=C2C(=O)N(c3cc(Cl)ccc3N3CCOCC3)C(=O)c3ccccc32)cc1 ZINC000015911108 553541057 /nfs/dbraw/zinc/54/10/57/553541057.db2.gz KYYCVPDGZJKERR-ULJHMMPZSA-N 0 0 516.985 4.775 50 0 KJAARN CCOc1ccc2[nH]c(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)nc2c1 ZINC000015911253 553541062 /nfs/dbraw/zinc/54/10/62/553541062.db2.gz HYJYMUBNCUNYIZ-UHFFFAOYSA-N 0 0 509.053 4.520 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)cc1 ZINC000015911444 553541246 /nfs/dbraw/zinc/54/12/46/553541246.db2.gz XNRGHYJDFLCECK-UHFFFAOYSA-N 0 0 514.597 4.920 50 0 KJAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000015912251 553541685 /nfs/dbraw/zinc/54/16/85/553541685.db2.gz FVELZPSYZVATKL-UHFFFAOYSA-N 0 0 508.596 4.839 50 0 KJAARN CC(C)(C)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 ZINC000015912324 553541634 /nfs/dbraw/zinc/54/16/34/553541634.db2.gz COZAVDCTUMUIOD-UHFFFAOYSA-N 0 0 520.721 4.569 50 0 KJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[C@@H]1C ZINC000015912930 553541797 /nfs/dbraw/zinc/54/17/97/553541797.db2.gz SVNLYOMQMYIGSK-DRSNIGMVSA-N 0 0 506.521 4.821 50 0 KJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[C@@H]1C ZINC000015912935 553541788 /nfs/dbraw/zinc/54/17/88/553541788.db2.gz SVNLYOMQMYIGSK-YVHKJVDXSA-N 0 0 506.521 4.821 50 0 KJAARN CCCCOC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)cc1 ZINC000015931519 553542405 /nfs/dbraw/zinc/54/24/05/553542405.db2.gz TXUGQGKZDGWGRC-UPFYTXMWSA-N 0 0 501.425 4.932 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3N(C)C2=O)cc1OC ZINC000015935294 553542843 /nfs/dbraw/zinc/54/28/43/553542843.db2.gz BQBSWFQFTLGHPF-VEILYXNESA-N 0 0 529.662 4.771 50 0 KJAARN O=C(NCCN1CCOCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000015936835 553543092 /nfs/dbraw/zinc/54/30/92/553543092.db2.gz NYPVFMMCIDJGCG-DIBXZPPDSA-N 0 0 517.626 4.568 50 0 KJAARN O=C(NCCN1CCOCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000015936837 553543100 /nfs/dbraw/zinc/54/31/00/553543100.db2.gz WENVSAFLUBBRLP-DIBXZPPDSA-N 0 0 517.626 4.568 50 0 KJAARN CCOc1ccc(CCNC(=O)C[S@@](=O)Cc2nc(-c3ccccc3Cl)oc2C)cc1OCC ZINC000015944397 553543829 /nfs/dbraw/zinc/54/38/29/553543829.db2.gz GGGDJZMIWGRZQU-UUWRZZSWSA-N 0 0 505.036 4.708 50 0 KJAARN CCOc1ccc(CCNC(=O)C[S@](=O)Cc2nc(-c3ccccc3Cl)oc2C)cc1OCC ZINC000015944400 553543785 /nfs/dbraw/zinc/54/37/85/553543785.db2.gz GGGDJZMIWGRZQU-UMSFTDKQSA-N 0 0 505.036 4.708 50 0 KJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)c(OCC)c2)N3)C1 ZINC000015945229 553544047 /nfs/dbraw/zinc/54/40/47/553544047.db2.gz PCTVDLBHUGUODW-QHCPKHFHSA-N 0 0 521.595 4.735 50 0 KJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)c(OCC)c2)N3)C1 ZINC000015945231 553544076 /nfs/dbraw/zinc/54/40/76/553544076.db2.gz PCTVDLBHUGUODW-HSZRJFAPSA-N 0 0 521.595 4.735 50 0 KJAARN CC(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000015945966 553544161 /nfs/dbraw/zinc/54/41/61/553544161.db2.gz RETNHKMYJQDCBS-UHFFFAOYSA-N 0 0 520.438 4.966 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCCCC3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946148 553544372 /nfs/dbraw/zinc/54/43/72/553544372.db2.gz YNRYIKNHRHCVEF-UHFFFAOYSA-N 0 0 505.040 4.593 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCC[C@@H](C)C3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946150 553544422 /nfs/dbraw/zinc/54/44/22/553544422.db2.gz IXCCBQWCZCBQHE-MRXNPFEDSA-N 0 0 519.067 4.839 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCC[C@H](C)C3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946152 553544440 /nfs/dbraw/zinc/54/44/40/553544440.db2.gz IXCCBQWCZCBQHE-INIZCTEOSA-N 0 0 519.067 4.839 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946154 553544432 /nfs/dbraw/zinc/54/44/32/553544432.db2.gz YVJBXMHIRPCHEL-UHFFFAOYSA-N 0 0 519.067 4.983 50 0 KJAARN CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000015954382 553545978 /nfs/dbraw/zinc/54/59/78/553545978.db2.gz DFZANRHKEXJNNJ-DQEYMECFSA-N 0 0 544.737 4.506 50 0 biogenic KJAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 ZINC000015956128 553546271 /nfs/dbraw/zinc/54/62/71/553546271.db2.gz OZMFPBQOYXWXSU-RMHLNUKZSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 ZINC000015956130 553546265 /nfs/dbraw/zinc/54/62/65/553546265.db2.gz OZMFPBQOYXWXSU-FRAKBFCYSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCC1=CCCCC1 ZINC000015959723 553546903 /nfs/dbraw/zinc/54/69/03/553546903.db2.gz XVJPMPHGNKHRLK-HPUNYJORSA-N 0 0 524.665 4.785 50 0 biogenic KJAARN COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(F)cc3)N2C1=O ZINC000015959957 553546876 /nfs/dbraw/zinc/54/68/76/553546876.db2.gz VXTXYEYVLCFEIS-AHKZPQOWSA-N 0 0 526.568 4.556 50 0 biogenic KJAARN COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(F)cc3)N2C1=O ZINC000015959960 553546874 /nfs/dbraw/zinc/54/68/74/553546874.db2.gz VXTXYEYVLCFEIS-BDYUSTAISA-N 0 0 526.568 4.556 50 0 biogenic KJAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000015974741 553547817 /nfs/dbraw/zinc/54/78/17/553547817.db2.gz HFWHAWXDWWRPPA-BKKFENPESA-N 0 0 512.949 4.664 50 0 KJAARN CC(=O)Oc1cccc2c1N1C(C(=O)c3ccccc3)=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]1C=C2 ZINC000015974821 553547785 /nfs/dbraw/zinc/54/77/85/553547785.db2.gz TXWBUKOFJYRADF-DJOPODEESA-N 0 0 512.949 4.538 50 0 KJAARN COCCN(CCOC)C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C)C/C2=C\c1ccccc1 ZINC000015978187 1066406850 /nfs/dbraw/zinc/40/68/50/1066406850.db2.gz RYRYNBUNLCFZFO-VWXXCCROSA-N 0 0 502.611 4.636 50 0 KJAARN COCCN(CCOC)C(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C)C/C2=C\c1ccccc1 ZINC000015978189 1066407109 /nfs/dbraw/zinc/40/71/09/1066407109.db2.gz RYRYNBUNLCFZFO-YVNGDZKUSA-N 0 0 502.611 4.636 50 0 KJAARN Cc1ccc(C)c(-n2c(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 ZINC000015978344 553547970 /nfs/dbraw/zinc/54/79/70/553547970.db2.gz XQPWSQVYVUDCBN-QRQLOZEOSA-N 0 0 511.713 4.917 50 0 KJAARN Cc1ccc(C)c(-n2c(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1 ZINC000015978346 553548026 /nfs/dbraw/zinc/54/80/26/553548026.db2.gz XQPWSQVYVUDCBN-YTQUADARSA-N 0 0 511.713 4.917 50 0 KJAARN Cc1ccc(C)c(-n2c(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1 ZINC000015978350 553548018 /nfs/dbraw/zinc/54/80/18/553548018.db2.gz XQPWSQVYVUDCBN-WDSOQIARSA-N 0 0 511.713 4.917 50 0 KJAARN COc1ccc(CCNC(=O)C(=Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000015978643 553548142 /nfs/dbraw/zinc/54/81/42/553548142.db2.gz YUFVFKVFYRCZPW-UHFFFAOYSA-N 0 0 526.555 4.824 50 0 KJAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)c(C)c3)C2=O)c1 ZINC000015979274 553548153 /nfs/dbraw/zinc/54/81/53/553548153.db2.gz OBOSLPTZNMJQLP-ITYLOYPMSA-N 0 0 503.624 4.974 50 0 KJAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(C)=O)c3)C2=O)c1 ZINC000015979299 553548181 /nfs/dbraw/zinc/54/81/81/553548181.db2.gz VWLABTPWKUOTMB-ITYLOYPMSA-N 0 0 517.607 4.560 50 0 KJAARN COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)c1 ZINC000015980454 553548555 /nfs/dbraw/zinc/54/85/55/553548555.db2.gz FOLPILMRNWIAJF-UHFFFAOYSA-N 0 0 524.573 4.775 50 0 KJAARN COC(=O)Cc1ccc(OC(=O)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)cc1 ZINC000015981964 553548961 /nfs/dbraw/zinc/54/89/61/553548961.db2.gz BZONSIAJMHGVMJ-UHFFFAOYSA-N 0 0 517.456 4.666 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@@]23N=C(c2ccccc2)OC3=O)cc1 ZINC000015987050 553549251 /nfs/dbraw/zinc/54/92/51/553549251.db2.gz PMGLUWPDZIVUOU-KUXNCQQFSA-N 0 0 507.590 4.909 50 0 KJAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015987270 553549248 /nfs/dbraw/zinc/54/92/48/553549248.db2.gz ZCXXUEHMDPRKLK-KEZOAJOQSA-N 0 0 514.379 4.603 50 0 KJAARN CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(O)C3=C(C(=O)c3ccccc3)N2c2ccc(Cl)cc21 ZINC000015987293 553549244 /nfs/dbraw/zinc/54/92/44/553549244.db2.gz VCYXWWVNBCHCLS-NDEVUPSOSA-N 0 0 512.949 4.732 50 0 KJAARN CCCCc1ccc(NC(=O)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1 ZINC000015987331 553549234 /nfs/dbraw/zinc/54/92/34/553549234.db2.gz XUWXDTHCSDOMNL-AREMUKBSSA-N 0 0 513.704 4.518 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1OC ZINC000015988981 553549262 /nfs/dbraw/zinc/54/92/62/553549262.db2.gz LXAIVCHHSHJWRD-QUMGSSFMSA-N 0 0 514.965 4.756 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015989437 553549263 /nfs/dbraw/zinc/54/92/63/553549263.db2.gz ABVCTJBTGVEOCP-KEZOAJOQSA-N 0 0 503.480 4.860 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015989907 553549245 /nfs/dbraw/zinc/54/92/45/553549245.db2.gz YKBKMZGTVSOQOD-LIONHTAISA-N 0 0 517.507 4.855 50 0 KJAARN CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000015989971 553549513 /nfs/dbraw/zinc/54/95/13/553549513.db2.gz HUFNATHZLQQDAQ-QUMGSSFMSA-N 0 0 510.546 4.635 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015990416 553549422 /nfs/dbraw/zinc/54/94/22/553549422.db2.gz VVNDTHVSNPMBLA-QUMGSSFMSA-N 0 0 513.981 4.811 50 0 KJAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000015990477 553549537 /nfs/dbraw/zinc/54/95/37/553549537.db2.gz HQSIGFXCYUDQCL-ODAXIHTASA-N 0 0 505.361 4.511 50 0 KJAARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C(C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000015996441 553549550 /nfs/dbraw/zinc/54/95/50/553549550.db2.gz FHMCZZDWRAVDQE-KEZOAJOQSA-N 0 0 512.587 4.550 50 0 KJAARN O=C(C1=C2C(O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12)c1ccc2c(c1)OCO2 ZINC000015996768 553549540 /nfs/dbraw/zinc/54/95/40/553549540.db2.gz CSQSRUHFHGIYAE-OLQMUTRHSA-N 0 0 514.537 4.967 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015996897 553549442 /nfs/dbraw/zinc/54/94/42/553549442.db2.gz REQIYZZZVKWZGF-LIONHTAISA-N 0 0 517.944 4.642 50 0 KJAARN CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000016000096 553549627 /nfs/dbraw/zinc/54/96/27/553549627.db2.gz DPUALGDKCIYXHO-CQSZACIVSA-N 0 0 517.471 4.882 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016000967 553549898 /nfs/dbraw/zinc/54/98/98/553549898.db2.gz MKKQYJCEOADSAI-LIONHTAISA-N 0 0 517.944 4.642 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016001416 553549913 /nfs/dbraw/zinc/54/99/13/553549913.db2.gz KDRKSHRNDJYHBD-LIONHTAISA-N 0 0 517.944 4.642 50 0 KJAARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C(C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000016001696 553550040 /nfs/dbraw/zinc/55/00/40/553550040.db2.gz XRJPOPAWGLBWLU-CBPXPLCBSA-N 0 0 518.616 4.611 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000016010118 553550533 /nfs/dbraw/zinc/55/05/33/553550533.db2.gz PDGHWJAKXKHZBB-YQJHKJFNSA-N 0 0 504.995 4.888 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000016010119 553550676 /nfs/dbraw/zinc/55/06/76/553550676.db2.gz PDGHWJAKXKHZBB-WFRMBSLRSA-N 0 0 504.995 4.888 50 0 KJAARN CCCCCCNC(=O)[C@H](CCSC)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000016025777 553551201 /nfs/dbraw/zinc/55/12/01/553551201.db2.gz YHMQTQSVEOMQTG-ZWEKWIFMSA-N 0 0 532.710 4.572 50 0 KJAARN COc1cccc(COc2ccc3c(C)c(CC(=O)N4CC[C@@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2C)c1 ZINC000016032504 553551591 /nfs/dbraw/zinc/55/15/91/553551591.db2.gz BSCVQOHXMYYUIK-RCRUUEGKSA-N 0 0 505.611 4.694 50 0 biogenic KJAARN COc1cccc(COc2ccc3c(C)c(CC(=O)N4CC[C@]5(O)CCCC[C@H]5C4)c(=O)oc3c2C)c1 ZINC000016032505 553551634 /nfs/dbraw/zinc/55/16/34/553551634.db2.gz BSCVQOHXMYYUIK-SMSORMJASA-N 0 0 505.611 4.694 50 0 biogenic KJAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016033361 553551615 /nfs/dbraw/zinc/55/16/15/553551615.db2.gz FLGOUJZMAHKHJV-BKKFENPESA-N 0 0 512.949 4.664 50 0 KJAARN CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000016033437 553551594 /nfs/dbraw/zinc/55/15/94/553551594.db2.gz IIKLPZNWRMNWIX-HXUWFJFHSA-N 0 0 501.988 4.889 50 0 KJAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016033505 553551747 /nfs/dbraw/zinc/55/17/47/553551747.db2.gz BJCWPAGBQNKERY-HFLBTKGNSA-N 0 0 506.558 4.627 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016033615 553551692 /nfs/dbraw/zinc/55/16/92/553551692.db2.gz PWMYXGFYMMHRTG-KEZOAJOQSA-N 0 0 509.528 4.988 50 0 KJAARN CCN(Cc1ccccc1)C(=O)CSc1nnc(SCC(=O)N(CC)Cc2ccccc2)s1 ZINC000016035349 553551999 /nfs/dbraw/zinc/55/19/99/553551999.db2.gz CYCQOLYKCFYDFT-UHFFFAOYSA-N 0 0 500.715 4.820 50 0 KJAARN O=S(=O)(c1ccc(Cl)c(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1)N1CCOCC1 ZINC000016035393 553552010 /nfs/dbraw/zinc/55/20/10/553552010.db2.gz CTWHNRYNEWJYTN-UHFFFAOYSA-N 0 0 504.033 4.962 50 0 KJAARN CC(C)C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000016035429 553551982 /nfs/dbraw/zinc/55/19/82/553551982.db2.gz NVBKEDZFHVQPHU-HHHXNRCGSA-N 0 0 509.654 4.902 50 0 KJAARN CC(C)C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000016035430 553552021 /nfs/dbraw/zinc/55/20/21/553552021.db2.gz NVBKEDZFHVQPHU-MHZLTWQESA-N 0 0 509.654 4.902 50 0 KJAARN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccc(Cl)cc1 ZINC000016037146 553552345 /nfs/dbraw/zinc/55/23/45/553552345.db2.gz ZNHGSEXMEIYKNJ-QUMGSSFMSA-N 0 0 512.949 4.510 50 0 KJAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000016037211 553552344 /nfs/dbraw/zinc/55/23/44/553552344.db2.gz BAFBBVDTECOYKN-LIONHTAISA-N 0 0 512.949 4.525 50 0 KJAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000016037997 553552592 /nfs/dbraw/zinc/55/25/92/553552592.db2.gz HSLQSUSSRCHAPT-QUMGSSFMSA-N 0 0 511.965 4.697 50 0 KJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000016043029 553552874 /nfs/dbraw/zinc/55/28/74/553552874.db2.gz PMFNNFMCELNYRP-RMHLNUKZSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000016043031 553552870 /nfs/dbraw/zinc/55/28/70/553552870.db2.gz PMFNNFMCELNYRP-FRAKBFCYSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000016043104 553552949 /nfs/dbraw/zinc/55/29/49/553552949.db2.gz GVFGORHLALSXTD-HIQQRFGFSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000016043106 553552894 /nfs/dbraw/zinc/55/28/94/553552894.db2.gz GVFGORHLALSXTD-WGBRNIOYSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC000016043536 553553092 /nfs/dbraw/zinc/55/30/92/553553092.db2.gz ZXIDORSBZMUDSO-UHFFFAOYSA-N 0 0 511.003 4.992 50 0 KJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016043556 553553123 /nfs/dbraw/zinc/55/31/23/553553123.db2.gz LPXSBVYTIRCAPY-UHFFFAOYSA-N 0 0 519.648 4.634 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2)C1 ZINC000016043714 553553404 /nfs/dbraw/zinc/55/34/04/553553404.db2.gz JCAJLJLCESYGQP-WOJBJXKFSA-N 0 0 507.660 4.590 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2)C1 ZINC000016043716 553553419 /nfs/dbraw/zinc/55/34/19/553553419.db2.gz JCAJLJLCESYGQP-BGYRXZFFSA-N 0 0 507.660 4.590 50 0 KJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2)C1 ZINC000016043717 553553439 /nfs/dbraw/zinc/55/34/39/553553439.db2.gz JCAJLJLCESYGQP-PMACEKPBSA-N 0 0 507.660 4.590 50 0 KJAARN CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)CCNC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000016043777 553553433 /nfs/dbraw/zinc/55/34/33/553553433.db2.gz HUNHGJPIXKHTLV-PGMHBOJBSA-N 0 0 514.047 4.610 50 0 KJAARN CCc1cccc2c(C(=O)COC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)c[nH]c21 ZINC000016043783 553553402 /nfs/dbraw/zinc/55/34/02/553553402.db2.gz AHCOKISSPQKODY-UHFFFAOYSA-N 0 0 522.545 4.576 50 0 KJAARN Cc1cc(C(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c(C)n1CC(F)(F)F ZINC000016043968 553553600 /nfs/dbraw/zinc/55/36/00/553553600.db2.gz WBMSHAWNYHSYDG-UHFFFAOYSA-N 0 0 500.473 4.623 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)ccc1C ZINC000016044081 553553627 /nfs/dbraw/zinc/55/36/27/553553627.db2.gz BQJPAMLQMLYJLW-UHFFFAOYSA-N 0 0 513.012 4.828 50 0 KJAARN CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccco3)cc2C1=O ZINC000016044106 553553603 /nfs/dbraw/zinc/55/36/03/553553603.db2.gz VPUUWDPRGBFHLZ-XMMPIXPASA-N 0 0 513.550 4.519 50 0 KJAARN CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3N=C(c4ccc(C)cc4)C[C@H]3c3ccco3)cc2C1=O ZINC000016044107 553553651 /nfs/dbraw/zinc/55/36/51/553553651.db2.gz VPUUWDPRGBFHLZ-DEOSSOPVSA-N 0 0 513.550 4.519 50 0 KJAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016044256 553553729 /nfs/dbraw/zinc/55/37/29/553553729.db2.gz AMFIYHFYOGTUIC-UHFFFAOYSA-N 0 0 514.456 4.721 50 0 KJAARN CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000016044310 553553693 /nfs/dbraw/zinc/55/36/93/553553693.db2.gz PAGPXHHQIOXERB-HSZRJFAPSA-N 0 0 524.639 4.644 50 0 KJAARN CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000016044311 553553687 /nfs/dbraw/zinc/55/36/87/553553687.db2.gz PAGPXHHQIOXERB-QHCPKHFHSA-N 0 0 524.639 4.644 50 0 KJAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1)c1c[nH]c2ccccc12 ZINC000016044357 553553737 /nfs/dbraw/zinc/55/37/37/553553737.db2.gz YLDSXLOGZQOVQM-UHFFFAOYSA-N 0 0 516.619 4.851 50 0 KJAARN COc1ccc(-c2csc(NC(=O)COC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000016044401 553553930 /nfs/dbraw/zinc/55/39/30/553553930.db2.gz BUDLOBSAURIDOO-UHFFFAOYSA-N 0 0 514.003 4.506 50 0 KJAARN Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1S(=O)(=O)N(C)C ZINC000016044585 553554030 /nfs/dbraw/zinc/55/40/30/553554030.db2.gz ASPNTBVBVBPNBJ-UHFFFAOYSA-N 0 0 517.717 4.819 50 0 KJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000016044822 553554299 /nfs/dbraw/zinc/55/42/99/553554299.db2.gz HFMIFAXWMUOUSP-GOSISDBHSA-N 0 0 512.031 4.868 50 0 KJAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000016044823 553554305 /nfs/dbraw/zinc/55/43/05/553554305.db2.gz HFMIFAXWMUOUSP-SFHVURJKSA-N 0 0 512.031 4.868 50 0 KJAARN COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000016044874 553554363 /nfs/dbraw/zinc/55/43/63/553554363.db2.gz RWSOAZNLFWFTNV-AWYKWWOESA-N 0 0 500.636 4.648 50 0 KJAARN COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000016044875 553554359 /nfs/dbraw/zinc/55/43/59/553554359.db2.gz RWSOAZNLFWFTNV-IHAPDJFTSA-N 0 0 500.636 4.648 50 0 KJAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(-c5ccccc5)cc4)n3n2)cc1OC ZINC000016047684 553554610 /nfs/dbraw/zinc/55/46/10/553554610.db2.gz SSDCGRSSXNUZDE-UHFFFAOYSA-N 0 0 520.636 4.663 50 0 KJAARN CCOc1ccc2ccccc2c1C(=O)Oc1coc(CSc2nnc(NC(=O)CC)s2)cc1=O ZINC000016047790 553554639 /nfs/dbraw/zinc/55/46/39/553554639.db2.gz YFQYCYJVHQNNJX-UHFFFAOYSA-N 0 0 511.581 4.903 50 0 KJAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)C(C)(C)Oc3ccc(Cl)cc3)co2)s1 ZINC000016047797 553554655 /nfs/dbraw/zinc/55/46/55/553554655.db2.gz GSAYQRJMVXSLBT-UHFFFAOYSA-N 0 0 509.993 4.549 50 0 KJAARN CCCCOc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1 ZINC000016047816 553554605 /nfs/dbraw/zinc/55/46/05/553554605.db2.gz YVCRLNRQUSVKFK-UHFFFAOYSA-N 0 0 501.586 4.530 50 0 KJAARN CCOc1ccccc1C(=O)Oc1coc(CSc2nnc(NC(=O)C(CC)CC)s2)cc1=O ZINC000016047872 553554651 /nfs/dbraw/zinc/55/46/51/553554651.db2.gz PEZAOCQRUHBXSG-UHFFFAOYSA-N 0 0 503.602 4.776 50 0 KJAARN CCOc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C(CC)CC)s3)cc2=O)cc1 ZINC000016047873 553554612 /nfs/dbraw/zinc/55/46/12/553554612.db2.gz PHKVGYZTNJVHSV-UHFFFAOYSA-N 0 0 503.602 4.776 50 0 KJAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)[C@@H](C)Oc3ccccc3)co2)s1 ZINC000016047891 553554799 /nfs/dbraw/zinc/55/47/99/553554799.db2.gz FJJVABUEMXXMAA-CQSZACIVSA-N 0 0 503.602 4.531 50 0 KJAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)[C@H](C)Oc3ccccc3)co2)s1 ZINC000016047892 553554832 /nfs/dbraw/zinc/55/48/32/553554832.db2.gz FJJVABUEMXXMAA-AWEZNQCLSA-N 0 0 503.602 4.531 50 0 KJAARN CCOc1ccc(CC(=O)Oc2coc(CSc3nnc(NC(=O)C(CC)CC)s3)cc2=O)cc1 ZINC000016047899 553554837 /nfs/dbraw/zinc/55/48/37/553554837.db2.gz PYHAKSPHANNLSH-UHFFFAOYSA-N 0 0 517.629 4.705 50 0 KJAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)Cc3ccc(Cl)cc3)co2)s1 ZINC000016047901 553554787 /nfs/dbraw/zinc/55/47/87/553554787.db2.gz KZNHXAZINPNDPR-UHFFFAOYSA-N 0 0 508.021 4.960 50 0 KJAARN CCOc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)c4cccs4)s3)cc2=O)cc1 ZINC000016047913 553554815 /nfs/dbraw/zinc/55/48/15/553554815.db2.gz DWXRVPOQBHSOLR-UHFFFAOYSA-N 0 0 515.594 4.715 50 0 KJAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3Cl)co2)s1)c1cccs1 ZINC000016047917 553554800 /nfs/dbraw/zinc/55/48/00/553554800.db2.gz VXNINISFHWYJSU-UHFFFAOYSA-N 0 0 505.986 4.970 50 0 KJAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)s1)c1cccs1 ZINC000016047918 553554804 /nfs/dbraw/zinc/55/48/04/553554804.db2.gz ZTXZRSKPINMCLL-UHFFFAOYSA-N 0 0 505.986 4.970 50 0 KJAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3)co2)s1)c1cccs1 ZINC000016047919 553554777 /nfs/dbraw/zinc/55/47/77/553554777.db2.gz HEJYOSDCESEXCC-UHFFFAOYSA-N 0 0 505.986 4.970 50 0 KJAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3c(F)cccc3F)co2)s1)c1cccs1 ZINC000016047920 553554824 /nfs/dbraw/zinc/55/48/24/553554824.db2.gz PYMNIHCKZDMXQX-UHFFFAOYSA-N 0 0 507.521 4.595 50 0 KJAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(F)c(F)c3)co2)s1)c1cccs1 ZINC000016047921 553554795 /nfs/dbraw/zinc/55/47/95/553554795.db2.gz RQOKNYOMGGNUTF-UHFFFAOYSA-N 0 0 507.521 4.595 50 0 KJAARN C[C@@H](Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)o1)c1ccccc1 ZINC000016050474 553555000 /nfs/dbraw/zinc/55/50/00/553555000.db2.gz VZVDLJCOZVZUBY-IBGZPJMESA-N 0 0 514.673 4.711 50 0 KJAARN C[C@H](Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)o1)c1ccccc1 ZINC000016050475 553555021 /nfs/dbraw/zinc/55/50/21/553555021.db2.gz VZVDLJCOZVZUBY-LJQANCHMSA-N 0 0 514.673 4.711 50 0 KJAARN COc1cc(OC)nc(COc2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)n1 ZINC000016080088 553555142 /nfs/dbraw/zinc/55/51/42/553555142.db2.gz YLIAAIHKABYXKQ-UHFFFAOYSA-N 0 0 524.621 4.620 50 0 KJAARN COc1cc(OC)nc([C@@H]2CCCC[C@@H]2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000016080172 553555114 /nfs/dbraw/zinc/55/51/14/553555114.db2.gz MHEFGSINRQRZGR-RPBOFIJWSA-N 0 0 500.643 4.701 50 0 KJAARN COc1cc(OC)nc([C@H]2CCCC[C@@H]2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000016080174 553555108 /nfs/dbraw/zinc/55/51/08/553555108.db2.gz MHEFGSINRQRZGR-DQEYMECFSA-N 0 0 500.643 4.701 50 0 KJAARN COc1cc(OC)nc([C@@H]2CCCC[C@H]2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000016080176 553555206 /nfs/dbraw/zinc/55/52/06/553555206.db2.gz MHEFGSINRQRZGR-JWQCQUIFSA-N 0 0 500.643 4.701 50 0 KJAARN COc1cc(OC)nc([C@H]2CCCC[C@H]2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000016080178 553555157 /nfs/dbraw/zinc/55/51/57/553555157.db2.gz MHEFGSINRQRZGR-LOSJGSFVSA-N 0 0 500.643 4.701 50 0 KJAARN CC(=O)N1CCC(N2Cc3ccccc3-n3cccc3[C@@H]2C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000016080231 553555371 /nfs/dbraw/zinc/55/53/71/553555371.db2.gz PPUHEUBSZXIEMJ-AREMUKBSSA-N 0 0 510.560 4.680 50 0 KJAARN CC(=O)N1CCC(N2Cc3ccccc3-n3cccc3[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000016080233 553555389 /nfs/dbraw/zinc/55/53/89/553555389.db2.gz PPUHEUBSZXIEMJ-SANMLTNESA-N 0 0 510.560 4.680 50 0 KJAARN CCCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CCCC ZINC000016133820 553555382 /nfs/dbraw/zinc/55/53/82/553555382.db2.gz ORCBASHXNXMIFO-UHFFFAOYSA-N 0 0 510.678 4.784 50 0 KJAARN O=C(COC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc32)c1)c1ccc(Br)cc1 ZINC000016157870 553555576 /nfs/dbraw/zinc/55/55/76/553555576.db2.gz WOUSPLOGDURHJP-UHFFFAOYSA-N 0 0 505.324 4.995 50 0 KJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1OC ZINC000016188680 553556027 /nfs/dbraw/zinc/55/60/27/553556027.db2.gz FWFMEBVDEWUKQL-UHFFFAOYSA-N 0 0 509.411 4.766 50 0 KJAARN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000016194091 553556324 /nfs/dbraw/zinc/55/63/24/553556324.db2.gz BNNGBHKOPNNYGH-DHZHZOJOSA-N 0 0 511.372 4.984 50 0 KJAARN COc1ccc(OCCNC(=O)CCCCCCCCC(=O)NCCOc2ccc(OC)cc2)cc1 ZINC000016217227 553556970 /nfs/dbraw/zinc/55/69/70/553556970.db2.gz OCZSDKPVAZPMJX-UHFFFAOYSA-N 0 0 500.636 4.515 50 0 KJAARN COc1ccccc1CNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000016228434 553557509 /nfs/dbraw/zinc/55/75/09/553557509.db2.gz LRQGAZPEGCFKCD-UHFFFAOYSA-N 0 0 512.937 4.879 50 0 KJAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000016248530 553557704 /nfs/dbraw/zinc/55/77/04/553557704.db2.gz CRQBPGUVWIDRGE-DHZHZOJOSA-N 0 0 520.438 4.987 50 0 KJAARN Cc1c(C(c2c[nH]c3ccccc32)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000016249120 553557710 /nfs/dbraw/zinc/55/77/10/553557710.db2.gz CJGOHHDFGMXYMH-UHFFFAOYSA-N 0 0 503.606 4.944 50 0 KJAARN Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(=O)(=O)c1ccccc1 ZINC000016249974 553557913 /nfs/dbraw/zinc/55/79/13/553557913.db2.gz AIGADLNJNBNDOG-UHFFFAOYSA-N 0 0 500.020 4.621 50 0 KJAARN Cc1cc(C)cc(N2C(=O)[C@H](C)S[C@@]23c2ccccc2N(CN2CCN(c4ccccc4)CC2)C3=O)c1 ZINC000016269136 553558026 /nfs/dbraw/zinc/55/80/26/553558026.db2.gz HWNHMOGUBCTNRA-YUDQIZAISA-N 0 0 512.679 4.751 50 0 KJAARN Cc1cc(C)cc(N2C(=O)[C@@H](C)S[C@@]23c2ccccc2N(CN2CCN(c4ccccc4)CC2)C3=O)c1 ZINC000016269139 553558011 /nfs/dbraw/zinc/55/80/11/553558011.db2.gz HWNHMOGUBCTNRA-WVXBCFDCSA-N 0 0 512.679 4.751 50 0 KJAARN Cc1cc(C)cc(N2C(=O)[C@H](C)S[C@]23c2ccccc2N(CN2CCN(c4ccccc4)CC2)C3=O)c1 ZINC000016269142 553558089 /nfs/dbraw/zinc/55/80/89/553558089.db2.gz HWNHMOGUBCTNRA-JHOBJCJYSA-N 0 0 512.679 4.751 50 0 KJAARN Cc1cc(C)cc(N2C(=O)[C@@H](C)S[C@]23c2ccccc2N(CN2CCN(c4ccccc4)CC2)C3=O)c1 ZINC000016269145 553558009 /nfs/dbraw/zinc/55/80/09/553558009.db2.gz HWNHMOGUBCTNRA-DJUQAAIZSA-N 0 0 512.679 4.751 50 0 KJAARN Cc1cc(C)cc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCN(c4ccccc4F)CC2)C3=O)c1 ZINC000016269153 553558001 /nfs/dbraw/zinc/55/80/01/553558001.db2.gz PZCRKLYWKXCEQV-LJAQVGFWSA-N 0 0 516.642 4.502 50 0 KJAARN CCOc1ccccc1N(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016276103 553558294 /nfs/dbraw/zinc/55/82/94/553558294.db2.gz MOVDBWBYZSJVSU-UHFFFAOYSA-N 0 0 504.992 4.590 50 0 KJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)cc1OC ZINC000016282201 553558270 /nfs/dbraw/zinc/55/82/70/553558270.db2.gz LLTFLAWDEVWCDO-UHFFFAOYSA-N 0 0 519.417 4.852 50 0 KJAARN COc1ccc(C)cc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000016285133 553558799 /nfs/dbraw/zinc/55/87/99/553558799.db2.gz MUYPDBDESFHKAO-UHFFFAOYSA-N 0 0 505.061 4.761 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)COc2ccccc2C(=O)NCCOc2cc(C)ccc2C(C)C)cc1 ZINC000016286151 553558859 /nfs/dbraw/zinc/55/88/59/553558859.db2.gz BHWPBMLTFRCEHH-UHFFFAOYSA-N 0 0 503.599 4.903 50 0 KJAARN COc1ccc(C)cc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000016290989 553558871 /nfs/dbraw/zinc/55/88/71/553558871.db2.gz VCOQOSCXRLFLBX-UHFFFAOYSA-N 0 0 504.992 4.508 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3)CC2)cc1 ZINC000016293283 553559225 /nfs/dbraw/zinc/55/92/25/553559225.db2.gz NWSOTKHKUACUAR-UHFFFAOYSA-N 0 0 516.667 4.871 50 0 KJAARN COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000016293382 553559417 /nfs/dbraw/zinc/55/94/17/553559417.db2.gz VPTGOELTDNHSLO-UHFFFAOYSA-N 0 0 508.416 4.981 50 0 KJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@H](C)C2 ZINC000016293627 553559415 /nfs/dbraw/zinc/55/94/15/553559415.db2.gz KJLWNWUGVFVTDI-SUMWQHHRSA-N 0 0 514.669 4.714 50 0 KJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@H](C)C2 ZINC000016293628 553559431 /nfs/dbraw/zinc/55/94/31/553559431.db2.gz KJLWNWUGVFVTDI-GUYCJALGSA-N 0 0 514.669 4.714 50 0 KJAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000016294322 553559603 /nfs/dbraw/zinc/55/96/03/553559603.db2.gz HIMAMNMDJZKFLD-UHFFFAOYSA-N 0 0 502.640 4.565 50 0 KJAARN COc1ccccc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000016309643 553559581 /nfs/dbraw/zinc/55/95/81/553559581.db2.gz HSUYSSDGAJOCAL-UHFFFAOYSA-N 0 0 519.088 4.902 50 0 KJAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000016309798 553559587 /nfs/dbraw/zinc/55/95/87/553559587.db2.gz XLMYXXSXQDZVOE-UHFFFAOYSA-N 0 0 519.417 4.609 50 0 KJAARN COc1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000016309852 553559573 /nfs/dbraw/zinc/55/95/73/553559573.db2.gz AEIWENCTVNKBST-UHFFFAOYSA-N 0 0 504.992 4.508 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)c3cc(I)ccc3Cl)cc2Cl)CC1 ZINC000016319645 553560090 /nfs/dbraw/zinc/56/00/90/553560090.db2.gz NUQVFEAQAPIELM-UHFFFAOYSA-N 0 0 504.199 4.992 50 0 KJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000016320019 553560063 /nfs/dbraw/zinc/56/00/63/553560063.db2.gz SYZAPKDDYTTYNT-UHFFFAOYSA-N 0 0 507.612 4.683 50 0 KJAARN Cn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000016345432 553560419 /nfs/dbraw/zinc/56/04/19/553560419.db2.gz KEZOETBAWTZMCW-UHFFFAOYSA-N 0 0 522.527 4.996 50 0 KJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000016345508 553560448 /nfs/dbraw/zinc/56/04/48/553560448.db2.gz YFCZNHNENZJBTA-UHFFFAOYSA-N 0 0 509.653 4.797 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000016345602 553560424 /nfs/dbraw/zinc/56/04/24/553560424.db2.gz JVMXAURTUBPCED-UHFFFAOYSA-N 0 0 513.685 4.919 50 0 KJAARN CCN(CC)C(=O)c1sc(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c(C(=O)OC)c1C ZINC000016346104 553560621 /nfs/dbraw/zinc/56/06/21/553560621.db2.gz FXZYVLLKIDIEDT-UHFFFAOYSA-N 0 0 516.689 4.760 50 0 KJAARN COC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000016347406 553560838 /nfs/dbraw/zinc/56/08/38/553560838.db2.gz YELIUSOFARKKMM-UHFFFAOYSA-N 0 0 507.395 4.922 50 0 KJAARN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c1 ZINC000016349764 553560912 /nfs/dbraw/zinc/56/09/12/553560912.db2.gz RJJKGBGAYXTBJK-UHFFFAOYSA-N 0 0 521.620 4.849 50 0 KJAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2)CC1 ZINC000016361542 553561198 /nfs/dbraw/zinc/56/11/98/553561198.db2.gz LCMUCVQCWZIZKQ-UHFFFAOYSA-N 0 0 509.459 4.578 50 0 KJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000016361666 553561211 /nfs/dbraw/zinc/56/12/11/553561211.db2.gz AICFZUIMUOGJEZ-UHFFFAOYSA-N 0 0 515.566 4.751 50 0 KJAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000016362326 553561361 /nfs/dbraw/zinc/56/13/61/553561361.db2.gz DXEDFGCLIXYQQZ-UHFFFAOYSA-N 0 0 506.365 4.961 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2C)c2cccc(Cl)c2)cc1 ZINC000016362812 553561398 /nfs/dbraw/zinc/56/13/98/553561398.db2.gz DNEHKKPNQCUZGX-UHFFFAOYSA-N 0 0 519.088 4.902 50 0 KJAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000016362979 553561367 /nfs/dbraw/zinc/56/13/67/553561367.db2.gz KMKBTBVISVEWDR-UHFFFAOYSA-N 0 0 521.620 4.849 50 0 KJAARN CC(=O)Nc1c(C)ccc(CNC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)c1C ZINC000016382091 553561547 /nfs/dbraw/zinc/56/15/47/553561547.db2.gz IKUWONHQIJHBMR-UHFFFAOYSA-N 0 0 513.667 4.901 50 0 KJAARN COc1ccc(OC)c(NC(=O)COc2ccccc2C(=O)NCCOc2cc(C)ccc2C(C)C)c1 ZINC000016382157 553561535 /nfs/dbraw/zinc/56/15/35/553561535.db2.gz QQCLGECAZPEMNM-UHFFFAOYSA-N 0 0 506.599 4.962 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000016382886 553561773 /nfs/dbraw/zinc/56/17/73/553561773.db2.gz AHFIHZRYXGLNND-SANMLTNESA-N 0 0 517.582 4.511 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000016382890 553561738 /nfs/dbraw/zinc/56/17/38/553561738.db2.gz AHFIHZRYXGLNND-AREMUKBSSA-N 0 0 517.582 4.511 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1Cl ZINC000016383990 553561753 /nfs/dbraw/zinc/56/17/53/553561753.db2.gz CSFNPSVDTHVNPQ-UHFFFAOYSA-N 0 0 515.031 4.967 50 0 KJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@H](C)C2 ZINC000016391763 553562064 /nfs/dbraw/zinc/56/20/64/553562064.db2.gz BFKLEQDAKCRUKM-SWLSCSKDSA-N 0 0 521.060 4.750 50 0 KJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@@H](C)C2 ZINC000016391766 553562079 /nfs/dbraw/zinc/56/20/79/553562079.db2.gz BFKLEQDAKCRUKM-DOMZBBRYSA-N 0 0 521.060 4.750 50 0 KJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@H](C)C2 ZINC000016391769 553562028 /nfs/dbraw/zinc/56/20/28/553562028.db2.gz BFKLEQDAKCRUKM-WFASDCNBSA-N 0 0 521.060 4.750 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc(OCc3ccc(F)cc3)c2)c(OC)c1 ZINC000016393175 553562279 /nfs/dbraw/zinc/56/22/79/553562279.db2.gz QVBULXYCDBVJRK-RUZDIDTESA-N 0 0 507.587 4.853 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(OCc3ccc(F)cc3)c2)c(OC)c1 ZINC000016393178 553562263 /nfs/dbraw/zinc/56/22/63/553562263.db2.gz QVBULXYCDBVJRK-VWLOTQADSA-N 0 0 507.587 4.853 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cc(-n2cnnc2)ccc1Cl ZINC000016400061 553562637 /nfs/dbraw/zinc/56/26/37/553562637.db2.gz DCDYVTWSSDMUSY-UHFFFAOYSA-N 0 0 521.408 4.789 50 0 KJAARN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016400833 553562627 /nfs/dbraw/zinc/56/26/27/553562627.db2.gz SRFJCGFVCJSSHA-UHFFFAOYSA-N 0 0 512.031 4.718 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2SC)c2ccc(Cl)cc2)cc1OC ZINC000016400894 553562604 /nfs/dbraw/zinc/56/26/04/553562604.db2.gz DAUZQCWCWNENRV-UHFFFAOYSA-N 0 0 507.033 4.913 50 0 KJAARN O=C(CC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000016425200 553562989 /nfs/dbraw/zinc/56/29/89/553562989.db2.gz DQUKYPVUVFWBAG-UHFFFAOYSA-N 0 0 520.589 4.514 50 0 KJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000016425804 553563014 /nfs/dbraw/zinc/56/30/14/553563014.db2.gz IVMYDTRPIUCGGK-MSOLQXFVSA-N 0 0 500.020 4.624 50 0 KJAARN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000016425807 553562975 /nfs/dbraw/zinc/56/29/75/553562975.db2.gz IVMYDTRPIUCGGK-ROUUACIJSA-N 0 0 500.020 4.624 50 0 KJAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C(=O)OC)sc1NC(=O)Cc1ccc(Cl)cc1 ZINC000016426490 553563197 /nfs/dbraw/zinc/56/31/97/553563197.db2.gz KHTNSEJNKSMNKR-UHFFFAOYSA-N 0 0 500.960 4.717 50 0 KJAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000016430517 553563283 /nfs/dbraw/zinc/56/32/83/553563283.db2.gz LLCATMPOTWBPMG-LFYBBSHMSA-N 0 0 511.072 4.890 50 0 KJAARN COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)c1cc(OC)cc(OC)c1 ZINC000016435910 553563812 /nfs/dbraw/zinc/56/38/12/553563812.db2.gz NBJSBDMRZYQWQX-UHFFFAOYSA-N 0 0 522.646 4.531 50 0 KJAARN COCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)c1cc(OC)cc(OC)c1 ZINC000016435994 553563943 /nfs/dbraw/zinc/56/39/43/553563943.db2.gz QXRCXDQDPHYJTM-UHFFFAOYSA-N 0 0 536.673 4.921 50 0 KJAARN COCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)c1cccc(OC)c1 ZINC000016436009 553563920 /nfs/dbraw/zinc/56/39/20/553563920.db2.gz BSWWPBWYBIFOTO-UHFFFAOYSA-N 0 0 506.647 4.913 50 0 KJAARN COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)Nc1ccc(OC)cc1OC ZINC000016436672 553564418 /nfs/dbraw/zinc/56/44/18/553564418.db2.gz RENCDVZQKKOXCU-UHFFFAOYSA-N 0 0 537.661 4.923 50 0 KJAARN COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)Nc1cccc(OC)c1 ZINC000016436689 553564576 /nfs/dbraw/zinc/56/45/76/553564576.db2.gz XBMKTRNBIQALST-UHFFFAOYSA-N 0 0 507.635 4.914 50 0 KJAARN COCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)NCc1ccccc1 ZINC000016436789 553564589 /nfs/dbraw/zinc/56/45/89/553564589.db2.gz VPQFDVKFJDPGPQ-UHFFFAOYSA-N 0 0 505.663 4.973 50 0 KJAARN Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016447619 553564753 /nfs/dbraw/zinc/56/47/53/553564753.db2.gz DTSUOPUCOFRTJN-UHFFFAOYSA-N 0 0 512.031 4.718 50 0 KJAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016448109 553564757 /nfs/dbraw/zinc/56/47/57/553564757.db2.gz KEJLXFKTLSIYRJ-QGZVFWFLSA-N 0 0 500.020 4.946 50 0 KJAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016448111 553564794 /nfs/dbraw/zinc/56/47/94/553564794.db2.gz KEJLXFKTLSIYRJ-KRWDZBQOSA-N 0 0 500.020 4.946 50 0 KJAARN Cn1c(CCNC(=O)c2ccc(F)cc2)nnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000016448163 553564962 /nfs/dbraw/zinc/56/49/62/553564962.db2.gz GSSVHOAOGKWCSF-UHFFFAOYSA-N 0 0 516.813 4.618 50 0 KJAARN Cc1cc(Br)c(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(F)cc3)n2C)cc1C ZINC000016448213 553564949 /nfs/dbraw/zinc/56/49/49/553564949.db2.gz GBVDGSRJUXKVFR-CQSZACIVSA-N 0 0 520.428 4.555 50 0 KJAARN Cc1cc(Br)c(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(F)cc3)n2C)cc1C ZINC000016448215 553564943 /nfs/dbraw/zinc/56/49/43/553564943.db2.gz GBVDGSRJUXKVFR-AWEZNQCLSA-N 0 0 520.428 4.555 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(I)cc1 ZINC000016448362 553564936 /nfs/dbraw/zinc/56/49/36/553564936.db2.gz NGUQUWBJCDDVRR-UHFFFAOYSA-N 0 0 512.756 4.998 50 0 KJAARN CCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000016448401 553564941 /nfs/dbraw/zinc/56/49/41/553564941.db2.gz HLSCNANTPBXCMT-UHFFFAOYSA-N 0 0 506.839 4.581 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc(SCc2ccccc2)ncc1Cl ZINC000016448555 553565123 /nfs/dbraw/zinc/56/51/23/553565123.db2.gz JLQKHADZSWZFQO-UHFFFAOYSA-N 0 0 503.049 4.849 50 0 KJAARN Cn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000016448726 553565105 /nfs/dbraw/zinc/56/51/05/553565105.db2.gz PAZVHSMVVZXKCR-UHFFFAOYSA-N 0 0 516.813 4.618 50 0 KJAARN CSc1cccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(Cl)c(Cl)c3)n2C)c1 ZINC000016448876 553565100 /nfs/dbraw/zinc/56/51/00/553565100.db2.gz UEAPWIBGYFOQPF-UHFFFAOYSA-N 0 0 510.472 4.547 50 0 KJAARN COCCN(CC(=O)N(Cc1cccn1Cc1cccc(C)c1)C(C)(C)C)C(=O)c1cccc(OC)c1 ZINC000016458138 553565356 /nfs/dbraw/zinc/56/53/56/553565356.db2.gz WDEDPPGWMMHJIH-UHFFFAOYSA-N 0 0 505.659 4.769 50 0 KJAARN COCCN(CC(=O)N(Cc1cccn1Cc1ccc(Br)cc1)C1CCCCC1)C(=O)N(C)C ZINC000016462570 553565359 /nfs/dbraw/zinc/56/53/59/553565359.db2.gz AELNJGMGJFDGGE-UHFFFAOYSA-N 0 0 533.511 4.590 50 0 KJAARN COCCCN(CC(=O)N(Cc1cccn1Cc1ccc(Br)cc1)C1CCCCC1)C(C)=O ZINC000016462621 553565366 /nfs/dbraw/zinc/56/53/66/553565366.db2.gz UFXXWLNBSJXUIC-UHFFFAOYSA-N 0 0 518.496 4.845 50 0 KJAARN CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CCOC)C(=O)C(C)C ZINC000016462669 553565527 /nfs/dbraw/zinc/56/55/27/553565527.db2.gz AGZQAULDZKUMNJ-UHFFFAOYSA-N 0 0 506.485 4.559 50 0 KJAARN CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CCOC)C(=O)NC(C)(C)C ZINC000016463048 553565481 /nfs/dbraw/zinc/56/54/81/553565481.db2.gz XWHRBEGVTIHAFX-UHFFFAOYSA-N 0 0 535.527 4.884 50 0 KJAARN CCn1c(SCCC(=O)Nc2ccccc2)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1 ZINC000016474261 553565467 /nfs/dbraw/zinc/56/54/67/553565467.db2.gz SXUHDSRAECFACT-OAQYLSRUSA-N 0 0 513.689 4.652 50 0 KJAARN CCn1c(SCCC(=O)Nc2ccccc2)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1 ZINC000016474264 553565503 /nfs/dbraw/zinc/56/55/03/553565503.db2.gz SXUHDSRAECFACT-NRFANRHFSA-N 0 0 513.689 4.652 50 0 KJAARN CCc1ccc(CN(C(=O)c2nc(SCc3ccccc3)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016474828 553565708 /nfs/dbraw/zinc/56/57/08/553565708.db2.gz ALVKBPLFHYNIFN-OAQYLSRUSA-N 0 0 516.088 4.814 50 0 KJAARN CCc1ccc(CN(C(=O)c2nc(SCc3ccccc3)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016474831 553565698 /nfs/dbraw/zinc/56/56/98/553565698.db2.gz ALVKBPLFHYNIFN-NRFANRHFSA-N 0 0 516.088 4.814 50 0 KJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000016487736 553566248 /nfs/dbraw/zinc/56/62/48/553566248.db2.gz HCPPFNRBLQSEIF-UHFFFAOYSA-N 0 0 504.439 4.538 50 0 KJAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000016499055 553566833 /nfs/dbraw/zinc/56/68/33/553566833.db2.gz QAWMIFJNOSNCLO-GOSISDBHSA-N 0 0 507.605 4.591 50 0 KJAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000016499058 553566732 /nfs/dbraw/zinc/56/67/32/553566732.db2.gz QAWMIFJNOSNCLO-SFHVURJKSA-N 0 0 507.605 4.591 50 0 KJAARN COc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000016506544 553566761 /nfs/dbraw/zinc/56/67/61/553566761.db2.gz BFEJMTZTNXWTBO-MHZLTWQESA-N 0 0 506.624 4.758 50 0 KJAARN COc1ccc([C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000016506547 553566997 /nfs/dbraw/zinc/56/69/97/553566997.db2.gz BFEJMTZTNXWTBO-HHHXNRCGSA-N 0 0 506.624 4.758 50 0 KJAARN CCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000016508525 553566982 /nfs/dbraw/zinc/56/69/82/553566982.db2.gz VWANKSHKGMRBOA-SANMLTNESA-N 0 0 516.660 4.861 50 0 KJAARN CCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000016508528 553566979 /nfs/dbraw/zinc/56/69/79/553566979.db2.gz VWANKSHKGMRBOA-AREMUKBSSA-N 0 0 516.660 4.861 50 0 KJAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2nc(Cc3cccc(F)c3)nc(N3CCOCC3)c2C1 ZINC000016532655 553567335 /nfs/dbraw/zinc/56/73/35/553567335.db2.gz LOWYJXHOSKEVGF-UHFFFAOYSA-N 0 0 515.511 4.652 50 0 KJAARN Cc1ccc2c(c1)OCC(=O)N2Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000016532918 553567531 /nfs/dbraw/zinc/56/75/31/553567531.db2.gz CPTCSNOTOASFEE-UHFFFAOYSA-N 0 0 509.528 4.902 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(N4C[C@H](C)O[C@@H](C)C4)c3C2)cc1 ZINC000016533480 553567543 /nfs/dbraw/zinc/56/75/43/553567543.db2.gz KVHOYBLIVULEPR-PMACEKPBSA-N 0 0 515.614 4.524 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(N4C[C@@H](C)O[C@H](C)C4)c3C2)cc1 ZINC000016533481 553567528 /nfs/dbraw/zinc/56/75/28/553567528.db2.gz KVHOYBLIVULEPR-WOJBJXKFSA-N 0 0 515.614 4.524 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)N2CCc3nc(-c4ccccc4)nc(N4C[C@@H](C)O[C@@H](C)C4)c3C2)cc1 ZINC000016533482 553567568 /nfs/dbraw/zinc/56/75/68/553567568.db2.gz KVHOYBLIVULEPR-BGYRXZFFSA-N 0 0 515.614 4.524 50 0 KJAARN CC(C)CN1C(=O)C(c2c(=O)n(-c3ccc(Cl)c(Cl)c3)[n-]c2C(C)C)=C([n+]2ccccc2)C1=O ZINC000016570852 553567679 /nfs/dbraw/zinc/56/76/79/553567679.db2.gz XMXJQRCRBKXQCE-UHFFFAOYSA-O 0 0 500.406 4.689 50 0 KJAARN CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2cccc(C)c2)C1=O ZINC000016570910 553567735 /nfs/dbraw/zinc/56/77/35/553567735.db2.gz KGQIEWKGLHYXQQ-UHFFFAOYSA-O 0 0 520.396 4.985 50 0 KJAARN Cc1ccc[n+](C2=C(c3c(=O)n(-c4ccc(Cl)c(Cl)c4)[n-]c3C(C)C)C(=O)N(CC(C)C)C2=O)c1 ZINC000016570964 553567987 /nfs/dbraw/zinc/56/79/87/553567987.db2.gz FXMGYKJMIXHKGH-UHFFFAOYSA-O 0 0 514.433 4.997 50 0 KJAARN Cc1ccc[n+](C2=C(c3c(=O)n(-c4ccc(Cl)c(Cl)c4)[n-]c3C(C)C)C(=O)N(C(C)C)C2=O)c1 ZINC000016570975 553567954 /nfs/dbraw/zinc/56/79/54/553567954.db2.gz ZKULWEVHWLGGGY-UHFFFAOYSA-O 0 0 500.406 4.750 50 0 KJAARN CCCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(CCC)C1=O ZINC000016571030 553567963 /nfs/dbraw/zinc/56/79/63/553567963.db2.gz OPJBVNOERTVIIE-UHFFFAOYSA-O 0 0 500.406 4.580 50 0 KJAARN CCCN1C(=O)C(c2c(=O)n(-c3ccc(Cl)c(Cl)c3)[n-]c2C(C)C)=C([n+]2cccc(C)c2)C1=O ZINC000016571031 553567978 /nfs/dbraw/zinc/56/79/78/553567978.db2.gz XDGLZLBPOIPZPV-UHFFFAOYSA-O 0 0 500.406 4.751 50 0 KJAARN CCCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccc(C)cc2)C(=O)N(C(C)C)C1=O ZINC000016571068 553567943 /nfs/dbraw/zinc/56/79/43/553567943.db2.gz KGEJTGLMCQRUJE-UHFFFAOYSA-O 0 0 500.406 4.579 50 0 KJAARN CCCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccc(C)cc2)C(=O)N(CCC)C1=O ZINC000016571092 553567951 /nfs/dbraw/zinc/56/79/51/553567951.db2.gz GPCOTNHKAUWSPK-UHFFFAOYSA-O 0 0 500.406 4.580 50 0 KJAARN CCCN1C(=O)C(c2c(=O)n(-c3ccc(Cl)c(Cl)c3)[n-]c2C(C)C)=C([n+]2ccc(C)cc2)C1=O ZINC000016571094 553567924 /nfs/dbraw/zinc/56/79/24/553567924.db2.gz YHADRTYUYSGBDD-UHFFFAOYSA-O 0 0 500.406 4.751 50 0 KJAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC000016575679 553568273 /nfs/dbraw/zinc/56/82/73/553568273.db2.gz NVSDOCSKWLTBNS-UHFFFAOYSA-N 0 0 508.669 4.625 50 0 KJAARN CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1 ZINC000016575933 553568488 /nfs/dbraw/zinc/56/84/88/553568488.db2.gz UEEGOQBRFVELMB-UHFFFAOYSA-N 0 0 522.696 4.726 50 0 KJAARN CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCc3ccccn3)cc2)C(=O)C[C@@H]1c1ccc(F)cc1 ZINC000016602836 553568780 /nfs/dbraw/zinc/56/87/80/553568780.db2.gz PTIPOSOAWTUKDT-RUZDIDTESA-N 0 0 501.558 4.504 50 0 KJAARN CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCc3ccccn3)cc2)C(=O)C[C@H]1c1ccc(F)cc1 ZINC000016602838 553568832 /nfs/dbraw/zinc/56/88/32/553568832.db2.gz PTIPOSOAWTUKDT-VWLOTQADSA-N 0 0 501.558 4.504 50 0 KJAARN CCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC000016608392 553569111 /nfs/dbraw/zinc/56/91/11/553569111.db2.gz KDINYMQVCRBFOU-NRFANRHFSA-N 0 0 515.595 4.868 50 0 KJAARN CCc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC000016608394 553569105 /nfs/dbraw/zinc/56/91/05/553569105.db2.gz KDINYMQVCRBFOU-OAQYLSRUSA-N 0 0 515.595 4.868 50 0 KJAARN CCc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)c1 ZINC000016608408 553569141 /nfs/dbraw/zinc/56/91/41/553569141.db2.gz VQEUKXDOHQXYOR-NRFANRHFSA-N 0 0 515.595 4.868 50 0 KJAARN CCc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)c1 ZINC000016608410 553569108 /nfs/dbraw/zinc/56/91/08/553569108.db2.gz VQEUKXDOHQXYOR-OAQYLSRUSA-N 0 0 515.595 4.868 50 0 KJAARN CCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000016608416 553569156 /nfs/dbraw/zinc/56/91/56/553569156.db2.gz OCYSTWSDPIFIIL-NRFANRHFSA-N 0 0 515.595 4.868 50 0 KJAARN CCc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000016608418 553569106 /nfs/dbraw/zinc/56/91/06/553569106.db2.gz OCYSTWSDPIFIIL-OAQYLSRUSA-N 0 0 515.595 4.868 50 0 KJAARN CCCCCCc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC(C)C)CN3c2ccccc2)cc1 ZINC000016612574 553569792 /nfs/dbraw/zinc/56/97/92/553569792.db2.gz OMWBEVNSSLIRKF-UHFFFAOYSA-N 0 0 518.702 4.615 50 0 KJAARN COc1cccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC3)C2=O)c1 ZINC000016612725 553569816 /nfs/dbraw/zinc/56/98/16/553569816.db2.gz IXWFLTGSEVAIDS-HSZRJFAPSA-N 0 0 534.701 4.764 50 0 KJAARN COc1cccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)C[C@H](C)CC(C)(C)C)CC3)C2=O)c1 ZINC000016612726 553569811 /nfs/dbraw/zinc/56/98/11/553569811.db2.gz IXWFLTGSEVAIDS-QHCPKHFHSA-N 0 0 534.701 4.764 50 0 KJAARN CC[C@@H](C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC000016612780 553569824 /nfs/dbraw/zinc/56/98/24/553569824.db2.gz AXEFCFRYYIERNH-XMMPIXPASA-N 0 0 524.665 4.549 50 0 KJAARN CC[C@H](C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC000016612781 553569856 /nfs/dbraw/zinc/56/98/56/553569856.db2.gz AXEFCFRYYIERNH-DEOSSOPVSA-N 0 0 524.665 4.549 50 0 KJAARN C[C@@H](CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)Nc1ccc(F)cc1)CN2c1ccccc1)CC(C)(C)C ZINC000016612835 553569839 /nfs/dbraw/zinc/56/98/39/553569839.db2.gz MBDQZVZEYWBAEY-QFIPXVFZSA-N 0 0 522.665 4.894 50 0 KJAARN C[C@H](CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)Nc1ccc(F)cc1)CN2c1ccccc1)CC(C)(C)C ZINC000016612836 553569835 /nfs/dbraw/zinc/56/98/35/553569835.db2.gz MBDQZVZEYWBAEY-JOCHJYFZSA-N 0 0 522.665 4.894 50 0 KJAARN C[C@@H](CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N[C@@H](C)c1ccccc1)CN2c1ccccc1)CC(C)(C)C ZINC000016612929 553570025 /nfs/dbraw/zinc/57/00/25/553570025.db2.gz XENIWSDSHLCXSY-DQEYMECFSA-N 0 0 532.729 4.994 50 0 KJAARN C[C@H](CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N[C@@H](C)c1ccccc1)CN2c1ccccc1)CC(C)(C)C ZINC000016612930 553570036 /nfs/dbraw/zinc/57/00/36/553570036.db2.gz XENIWSDSHLCXSY-RPBOFIJWSA-N 0 0 532.729 4.994 50 0 KJAARN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N(C)C)CN2c1ccccc1 ZINC000016613106 553570028 /nfs/dbraw/zinc/57/00/28/553570028.db2.gz QCAVLONVSSVMIU-UHFFFAOYSA-N 0 0 519.690 4.694 50 0 KJAARN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000016648408 553570821 /nfs/dbraw/zinc/57/08/21/553570821.db2.gz OFXFJSOAGNVYLV-UHFFFAOYSA-N 0 0 507.631 4.978 50 0 KJAARN C[C@@H](CC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)CC(C)(C)C ZINC000016652604 553571090 /nfs/dbraw/zinc/57/10/90/553571090.db2.gz WLXQTUUPUZCBJZ-QHCPKHFHSA-N 0 0 515.670 4.571 50 0 KJAARN C[C@H](CC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)CC(C)(C)C ZINC000016652606 553571074 /nfs/dbraw/zinc/57/10/74/553571074.db2.gz WLXQTUUPUZCBJZ-HSZRJFAPSA-N 0 0 515.670 4.571 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)cc1 ZINC000016652615 553571071 /nfs/dbraw/zinc/57/10/71/553571071.db2.gz MDAJJGUGVOZWKH-UHFFFAOYSA-N 0 0 535.660 4.720 50 0 KJAARN CC(C)CN(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C(=O)COc1ccc(Cl)cc1 ZINC000016652719 553571088 /nfs/dbraw/zinc/57/10/88/553571088.db2.gz LKAIYXVKCZICLD-UHFFFAOYSA-N 0 0 512.990 4.754 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)C[C@@H]2CCCO2)c(C)c1 ZINC000016653403 553571361 /nfs/dbraw/zinc/57/13/61/553571361.db2.gz KBOFGSLFWYSEMK-SANMLTNESA-N 0 0 528.646 4.743 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)C[C@H]2CCCO2)c(C)c1 ZINC000016653404 553571364 /nfs/dbraw/zinc/57/13/64/553571364.db2.gz KBOFGSLFWYSEMK-AREMUKBSSA-N 0 0 528.646 4.743 50 0 KJAARN CC(C)N(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016653427 553571370 /nfs/dbraw/zinc/57/13/70/553571370.db2.gz IDLDAWZHRPJBKU-UHFFFAOYSA-N 0 0 520.607 4.790 50 0 KJAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCN(C(=O)c3ccc(C(=O)c4ccccc4)cc3)CC2)cc1 ZINC000016662137 1067161532 /nfs/dbraw/zinc/16/15/32/1067161532.db2.gz NKXLFUYPDPOCHN-UHFFFAOYSA-N 0 0 502.570 4.747 50 0 KJAARN O=C(CCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)OCc1ccccc1 ZINC000016667678 1067161559 /nfs/dbraw/zinc/16/15/59/1067161559.db2.gz ZTAGNSBWWZPKCI-HKOYGPOVSA-N 0 0 521.411 4.860 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(C)cc4s3)CC2)cc1 ZINC000016689913 553573478 /nfs/dbraw/zinc/57/34/78/553573478.db2.gz OXHBFZSAAQFTOB-UHFFFAOYSA-N 0 0 520.680 4.782 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016691651 553573582 /nfs/dbraw/zinc/57/35/82/553573582.db2.gz VWBSZCVRWKKAGD-UHFFFAOYSA-N 0 0 503.418 4.990 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016691656 553573540 /nfs/dbraw/zinc/57/35/40/553573540.db2.gz NBUORARDAQPSOM-UHFFFAOYSA-N 0 0 503.418 4.990 50 0 KJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000016691913 553573572 /nfs/dbraw/zinc/57/35/72/553573572.db2.gz ZZBHOWTZZHEDHT-UHFFFAOYSA-N 0 0 519.088 4.984 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000016699862 553574083 /nfs/dbraw/zinc/57/40/83/553574083.db2.gz KRVSOOQBQHMCFN-FVIVVMBBSA-N 0 0 510.681 4.817 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000016699864 553574108 /nfs/dbraw/zinc/57/41/08/553574108.db2.gz KRVSOOQBQHMCFN-FOOJEKODSA-N 0 0 510.681 4.817 50 0 KJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(Cl)c(Cl)c3)sc2=N1 ZINC000016700457 553574395 /nfs/dbraw/zinc/57/43/95/553574395.db2.gz AONXMENMZFDZNU-ACEGTKJHSA-N 0 0 507.464 4.803 50 0 KJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(Cl)c(Cl)c3)sc2=N1 ZINC000016700460 553574410 /nfs/dbraw/zinc/57/44/10/553574410.db2.gz AONXMENMZFDZNU-CYEGBWLXSA-N 0 0 507.464 4.803 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3cccc(Cl)c3)sc2=N1 ZINC000016700594 553574604 /nfs/dbraw/zinc/57/46/04/553574604.db2.gz NRIKZOCIFMIOKG-XOYGFPHKSA-N 0 0 507.036 4.694 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3cccc(Cl)c3)sc2=N1 ZINC000016700597 553574571 /nfs/dbraw/zinc/57/45/71/553574571.db2.gz NRIKZOCIFMIOKG-YJADQXIJSA-N 0 0 507.036 4.694 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(Cl)cc3)sc2=N1 ZINC000016700600 553574607 /nfs/dbraw/zinc/57/46/07/553574607.db2.gz GTMGJZPLWALHJU-XOYGFPHKSA-N 0 0 507.036 4.694 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(Cl)cc3)sc2=N1 ZINC000016700603 553574558 /nfs/dbraw/zinc/57/45/58/553574558.db2.gz GTMGJZPLWALHJU-YJADQXIJSA-N 0 0 507.036 4.694 50 0 KJAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000016700703 553574599 /nfs/dbraw/zinc/57/45/99/553574599.db2.gz AWKLGPACDLVIBD-WLGHQHAYSA-N 0 0 510.681 4.675 50 0 KJAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000016700706 553574595 /nfs/dbraw/zinc/57/45/95/553574595.db2.gz AWKLGPACDLVIBD-NLZIUFDSSA-N 0 0 510.681 4.675 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000016711810 553574970 /nfs/dbraw/zinc/57/49/70/553574970.db2.gz ZJRYOULSRQLONL-OWXSRONMSA-N 0 0 500.645 4.673 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000016711813 553574988 /nfs/dbraw/zinc/57/49/88/553574988.db2.gz ZJRYOULSRQLONL-ZMIGGIFCSA-N 0 0 500.645 4.673 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)c(OC)c1 ZINC000016713446 553575190 /nfs/dbraw/zinc/57/51/90/553575190.db2.gz MMNXUYQDDCRANQ-UHFFFAOYSA-N 0 0 511.625 4.726 50 0 KJAARN CCOc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(C)cc4)c(=O)n3n2)cc1 ZINC000016729586 553575905 /nfs/dbraw/zinc/57/59/05/553575905.db2.gz AAGDJNGEEFSXJX-UQQQWYQISA-N 0 0 505.603 4.926 50 0 KJAARN CCCOc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1OCC ZINC000016732324 553577773 /nfs/dbraw/zinc/57/77/73/553577773.db2.gz XDZTUBPFICBOGE-IPJJNNNSSA-N 0 0 500.901 4.631 50 0 KJAARN CCCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1OCC ZINC000016732330 553577651 /nfs/dbraw/zinc/57/76/51/553577651.db2.gz XDZTUBPFICBOGE-CNNODRBYSA-N 0 0 500.901 4.631 50 0 KJAARN C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5cccs5)nn4c3=O)ccc2O1 ZINC000016733943 553578288 /nfs/dbraw/zinc/57/82/88/553578288.db2.gz VFYKNKKBNPZXTI-GMPVXANTSA-N 0 0 509.616 4.603 50 0 KJAARN C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5cccs5)nn4c3=O)ccc2O1 ZINC000016733946 553578299 /nfs/dbraw/zinc/57/82/99/553578299.db2.gz VFYKNKKBNPZXTI-ZGWJWYQGSA-N 0 0 509.616 4.603 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1cccc(Cl)c1 ZINC000016734547 553578532 /nfs/dbraw/zinc/57/85/32/553578532.db2.gz UJFSXVJKVDPMIT-HZHYMEEXSA-N 0 0 515.034 4.897 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1cccc(Cl)c1 ZINC000016734550 553578513 /nfs/dbraw/zinc/57/85/13/553578513.db2.gz UJFSXVJKVDPMIT-VFHYMGCCSA-N 0 0 515.034 4.897 50 0 KJAARN CCOC(=O)c1sc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccc(C)cc2)c(C(=O)OCC)c1C ZINC000016735296 553578681 /nfs/dbraw/zinc/57/86/81/553578681.db2.gz YVDSPHSZOGFFOL-OAQYLSRUSA-N 0 0 514.625 4.831 50 0 KJAARN CCOC(=O)c1sc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccc(C)cc2)c(C(=O)OCC)c1C ZINC000016735299 553578637 /nfs/dbraw/zinc/57/86/37/553578637.db2.gz YVDSPHSZOGFFOL-NRFANRHFSA-N 0 0 514.625 4.831 50 0 KJAARN CCOC(=O)c1sc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)c1C ZINC000016735302 553578658 /nfs/dbraw/zinc/57/86/58/553578658.db2.gz DHOLMKGFHFKLBE-HXUWFJFHSA-N 0 0 518.975 4.707 50 0 KJAARN CCOC(=O)c1sc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)c1C ZINC000016735305 553578720 /nfs/dbraw/zinc/57/87/20/553578720.db2.gz DHOLMKGFHFKLBE-FQEVSTJZSA-N 0 0 518.975 4.707 50 0 KJAARN C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5ccccc5)nn4c3=O)ccc2O1 ZINC000016735321 553578903 /nfs/dbraw/zinc/57/89/03/553578903.db2.gz SJEQVCRFAOUCAI-NAHYFOQLSA-N 0 0 503.587 4.542 50 0 KJAARN C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(-c5ccccc5)nn4c3=O)ccc2O1 ZINC000016735324 553578900 /nfs/dbraw/zinc/57/89/00/553578900.db2.gz SJEQVCRFAOUCAI-SAHIIKMKSA-N 0 0 503.587 4.542 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)c(C)c1 ZINC000016735906 553578860 /nfs/dbraw/zinc/57/88/60/553578860.db2.gz FPTRTFJEZHKPAZ-XYGWBWBKSA-N 0 0 521.602 4.544 50 0 KJAARN CCOC(=O)c1sc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c(C(=O)OCC)c1C ZINC000016736380 553579067 /nfs/dbraw/zinc/57/90/67/553579067.db2.gz JPIMQNLIPGKRJZ-HXUWFJFHSA-N 0 0 500.598 4.522 50 0 KJAARN CCOC(=O)c1sc(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c(C(=O)OCC)c1C ZINC000016736383 553579062 /nfs/dbraw/zinc/57/90/62/553579062.db2.gz JPIMQNLIPGKRJZ-FQEVSTJZSA-N 0 0 500.598 4.522 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000016736700 553579072 /nfs/dbraw/zinc/57/90/72/553579072.db2.gz WOOMFTLXPWETSK-ACKLGVOASA-N 0 0 514.647 4.738 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000016736701 553579091 /nfs/dbraw/zinc/57/90/91/553579091.db2.gz WOOMFTLXPWETSK-JVQTWPENSA-N 0 0 514.647 4.738 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000016736702 553579098 /nfs/dbraw/zinc/57/90/98/553579098.db2.gz WOOMFTLXPWETSK-PRANLXFZSA-N 0 0 514.647 4.738 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000016736703 553579071 /nfs/dbraw/zinc/57/90/71/553579071.db2.gz WOOMFTLXPWETSK-LAAYWVLJSA-N 0 0 514.647 4.738 50 0 KJAARN O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc(F)cc2)c1)N1CCOCC1 ZINC000016741681 553579697 /nfs/dbraw/zinc/57/96/97/553579697.db2.gz ZZZKGKPXIVWLMZ-SGEDCAFJSA-N 0 0 509.628 4.657 50 0 KJAARN CCCCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000016741722 553580023 /nfs/dbraw/zinc/58/00/23/553580023.db2.gz XDCFTZSGYMRMMM-MHZLTWQESA-N 0 0 504.627 4.856 50 0 KJAARN CCCCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000016741723 553580037 /nfs/dbraw/zinc/58/00/37/553580037.db2.gz XDCFTZSGYMRMMM-HHHXNRCGSA-N 0 0 504.627 4.856 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000016742113 553580230 /nfs/dbraw/zinc/58/02/30/553580230.db2.gz BRVSKXDXFWZFRW-SANMLTNESA-N 0 0 519.525 4.754 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000016742114 553580238 /nfs/dbraw/zinc/58/02/38/553580238.db2.gz BRVSKXDXFWZFRW-AREMUKBSSA-N 0 0 519.525 4.754 50 0 KJAARN CCCCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC ZINC000016742158 553580250 /nfs/dbraw/zinc/58/02/50/553580250.db2.gz MGZPINJXTQFXOX-RGLXFYGRSA-N 0 0 521.639 4.854 50 0 KJAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000016742269 553580241 /nfs/dbraw/zinc/58/02/41/553580241.db2.gz IUCKOXOFKPZHNF-VWLOTQADSA-N 0 0 517.509 4.524 50 0 KJAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000016742270 553580243 /nfs/dbraw/zinc/58/02/43/553580243.db2.gz IUCKOXOFKPZHNF-RUZDIDTESA-N 0 0 517.509 4.524 50 0 KJAARN COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000016742403 553580457 /nfs/dbraw/zinc/58/04/57/553580457.db2.gz DOZUGNJRIRKGQN-PMERELPUSA-N 0 0 512.537 4.523 50 0 KJAARN COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000016742404 553580420 /nfs/dbraw/zinc/58/04/20/553580420.db2.gz DOZUGNJRIRKGQN-SSEXGKCCSA-N 0 0 512.537 4.523 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OCC ZINC000016742407 553580464 /nfs/dbraw/zinc/58/04/64/553580464.db2.gz PKBMZROPXQVUJG-RGLXFYGRSA-N 0 0 521.639 4.854 50 0 KJAARN Cc1ccc(Cn2c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cs/c2=N\c2ccccc2)cc1 ZINC000016753606 553580892 /nfs/dbraw/zinc/58/08/92/553580892.db2.gz SNSJIWXDSRCLPJ-DQSJHHFOSA-N 0 0 505.665 4.827 50 0 KJAARN C[C@@H]1CCc2c(sc3nc(SCCN4C(=O)c5ccccc5C4=O)n(-c4ccccc4)c(=O)c32)C1 ZINC000016756597 553581295 /nfs/dbraw/zinc/58/12/95/553581295.db2.gz SWYPAZDTOHEQOX-MRXNPFEDSA-N 0 0 501.633 4.960 50 0 KJAARN C[C@H]1CCc2c(sc3nc(SCCN4C(=O)c5ccccc5C4=O)n(-c4ccccc4)c(=O)c32)C1 ZINC000016756600 553581263 /nfs/dbraw/zinc/58/12/63/553581263.db2.gz SWYPAZDTOHEQOX-INIZCTEOSA-N 0 0 501.633 4.960 50 0 KJAARN CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccc2c(c1)OCCO2 ZINC000016757077 553581291 /nfs/dbraw/zinc/58/12/91/553581291.db2.gz LLYDBUBTEPXDTA-JOCHJYFZSA-N 0 0 501.608 4.915 50 0 KJAARN CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccc2c(c1)OCCO2 ZINC000016757080 553581281 /nfs/dbraw/zinc/58/12/81/553581281.db2.gz LLYDBUBTEPXDTA-QFIPXVFZSA-N 0 0 501.608 4.915 50 0 KJAARN COc1ccc2nc(-n3c(N)c(S(=O)(=O)c4ccc(F)cc4)c4nc5ccccc5nc43)sc2c1 ZINC000016757191 553581271 /nfs/dbraw/zinc/58/12/71/553581271.db2.gz LFTUNZVTGHYLIW-UHFFFAOYSA-N 0 0 505.556 4.746 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 ZINC000016779442 553581880 /nfs/dbraw/zinc/58/18/80/553581880.db2.gz GDHWWXJHPHTOGA-KKMZKOGESA-N 0 0 503.587 4.730 50 0 KJAARN COc1cc(C)c(Br)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016780201 553582089 /nfs/dbraw/zinc/58/20/89/553582089.db2.gz YQEBNECBSNMBFR-UHFFFAOYSA-N 0 0 515.473 4.862 50 0 KJAARN O=C(CSc1nnc(CCCCCN2C(=O)c3cccc4cccc(c43)C2=O)o1)NCc1ccccc1 ZINC000016790400 553582505 /nfs/dbraw/zinc/58/25/05/553582505.db2.gz SOFOJVFSSDXXEP-UHFFFAOYSA-N 0 0 514.607 4.640 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1F ZINC000016805691 553583091 /nfs/dbraw/zinc/58/30/91/553583091.db2.gz UHSUIPHMNIGRHI-HMAPJEAMSA-N 0 0 515.595 4.818 50 0 KJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@]1(c2ccccc2N(Cc2ccccc2F)C1=O)N(C[C@@H]1CCCO1)C3=O ZINC000016806229 553583162 /nfs/dbraw/zinc/58/31/62/553583162.db2.gz RVROVQPLUJGUAE-PKHCJMHPSA-N 0 0 524.548 4.666 50 0 KJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@]1(c2ccccc2N(Cc2ccccc2F)C1=O)N(C[C@H]1CCCO1)C3=O ZINC000016806231 553583155 /nfs/dbraw/zinc/58/31/55/553583155.db2.gz RVROVQPLUJGUAE-PLTNMMHCSA-N 0 0 524.548 4.666 50 0 KJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@]1(c2ccccc2N(Cc2ccccc2F)C1=O)N(C[C@@H]1CCCO1)C3=O ZINC000016806232 553583237 /nfs/dbraw/zinc/58/32/37/553583237.db2.gz RVROVQPLUJGUAE-GEFUHLBYSA-N 0 0 524.548 4.666 50 0 KJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@]1(c2ccccc2N(Cc2ccccc2F)C1=O)N(C[C@H]1CCCO1)C3=O ZINC000016806234 553583151 /nfs/dbraw/zinc/58/31/51/553583151.db2.gz RVROVQPLUJGUAE-QJWGWKRISA-N 0 0 524.548 4.666 50 0 KJAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3S2)cc1OC ZINC000016890451 553583647 /nfs/dbraw/zinc/58/36/47/553583647.db2.gz VSWGVJJOEUSULP-VWLOTQADSA-N 0 0 505.596 4.871 50 0 KJAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3S2)cc1OC ZINC000016890452 553583604 /nfs/dbraw/zinc/58/36/04/553583604.db2.gz VSWGVJJOEUSULP-RUZDIDTESA-N 0 0 505.596 4.871 50 0 KJAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3S2)cc1OC ZINC000016890528 553583599 /nfs/dbraw/zinc/58/35/99/553583599.db2.gz NQFSCNZBNZQOLL-VWLOTQADSA-N 0 0 505.596 4.871 50 0 KJAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3S2)cc1OC ZINC000016890529 553583653 /nfs/dbraw/zinc/58/36/53/553583653.db2.gz NQFSCNZBNZQOLL-RUZDIDTESA-N 0 0 505.596 4.871 50 0 KJAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016942811 553584111 /nfs/dbraw/zinc/58/41/11/553584111.db2.gz RCSYVZFGJKSJPP-UHFFFAOYSA-N 0 0 510.925 4.927 50 0 KJAARN COc1cc([C@@H]2CC(=O)N(CC(=O)NCCc3ccccc3)c3ccccc3S2)cc(OC)c1OC ZINC000016943545 553584042 /nfs/dbraw/zinc/58/40/42/553584042.db2.gz CHFGTWBDFIIYAM-VWLOTQADSA-N 0 0 506.624 4.641 50 0 KJAARN COc1cc([C@H]2CC(=O)N(CC(=O)NCCc3ccccc3)c3ccccc3S2)cc(OC)c1OC ZINC000016943549 553584092 /nfs/dbraw/zinc/58/40/92/553584092.db2.gz CHFGTWBDFIIYAM-RUZDIDTESA-N 0 0 506.624 4.641 50 0 KJAARN COc1cc([C@@H]2CC(=O)N(CC(=O)NCc3ccc(F)cc3)c3ccccc3S2)cc(OC)c1OC ZINC000016943553 553584017 /nfs/dbraw/zinc/58/40/17/553584017.db2.gz YSJTZFNZAFCFAP-DEOSSOPVSA-N 0 0 510.587 4.738 50 0 KJAARN COc1cc([C@H]2CC(=O)N(CC(=O)NCc3ccc(F)cc3)c3ccccc3S2)cc(OC)c1OC ZINC000016943558 553584120 /nfs/dbraw/zinc/58/41/20/553584120.db2.gz YSJTZFNZAFCFAP-XMMPIXPASA-N 0 0 510.587 4.738 50 0 KJAARN COc1cc([C@@H]2CC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc3S2)cc(OC)c1OC ZINC000016943607 553584295 /nfs/dbraw/zinc/58/42/95/553584295.db2.gz KKSNXCXNOGZJQQ-DEOSSOPVSA-N 0 0 522.579 4.650 50 0 KJAARN COc1cc([C@H]2CC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc3S2)cc(OC)c1OC ZINC000016943611 553584319 /nfs/dbraw/zinc/58/43/19/553584319.db2.gz KKSNXCXNOGZJQQ-XMMPIXPASA-N 0 0 522.579 4.650 50 0 KJAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@H](c3ccc(OC)c(OC)c3)CC2=O)c1 ZINC000016944299 553584327 /nfs/dbraw/zinc/58/43/27/553584327.db2.gz KOFQVCIAUFLMCG-VWLOTQADSA-N 0 0 508.596 4.930 50 0 KJAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@@H](c3ccc(OC)c(OC)c3)CC2=O)c1 ZINC000016944303 553584303 /nfs/dbraw/zinc/58/43/03/553584303.db2.gz KOFQVCIAUFLMCG-RUZDIDTESA-N 0 0 508.596 4.930 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccc(OC)c(OC)c3)CC2=O)c(OC)c1 ZINC000016944624 553584301 /nfs/dbraw/zinc/58/43/01/553584301.db2.gz SUPQLKGGVUUSCS-VWLOTQADSA-N 0 0 508.596 4.930 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccc(OC)c(OC)c3)CC2=O)c(OC)c1 ZINC000016944629 553584302 /nfs/dbraw/zinc/58/43/02/553584302.db2.gz SUPQLKGGVUUSCS-RUZDIDTESA-N 0 0 508.596 4.930 50 0 KJAARN COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC[C@@H]4CCCO4)c3)c3ccccc32)cc1 ZINC000016945073 553584328 /nfs/dbraw/zinc/58/43/28/553584328.db2.gz PKXXUEFZHONBHD-QFIPXVFZSA-N 0 0 504.612 4.815 50 0 KJAARN COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC[C@H]4CCCO4)c3)c3ccccc32)cc1 ZINC000016945077 553584329 /nfs/dbraw/zinc/58/43/29/553584329.db2.gz PKXXUEFZHONBHD-JOCHJYFZSA-N 0 0 504.612 4.815 50 0 KJAARN CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc32)ccc1C ZINC000016945269 553584331 /nfs/dbraw/zinc/58/43/31/553584331.db2.gz KRGQJLYCGOIIIN-UHFFFAOYSA-N 0 0 511.003 4.844 50 0 KJAARN Cc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000016945435 553584479 /nfs/dbraw/zinc/58/44/79/553584479.db2.gz HCGPGENRXNVHNR-UHFFFAOYSA-N 0 0 508.047 4.938 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc32)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000016945899 553584570 /nfs/dbraw/zinc/58/45/70/553584570.db2.gz ZSASFHBLTAYLFZ-FQEVSTJZSA-N 0 0 518.595 4.535 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc32)cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000016945903 553584588 /nfs/dbraw/zinc/58/45/88/553584588.db2.gz ZSASFHBLTAYLFZ-HXUWFJFHSA-N 0 0 518.595 4.535 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000016945977 553584548 /nfs/dbraw/zinc/58/45/48/553584548.db2.gz SFJTYQFNKBLXLC-UHFFFAOYSA-N 0 0 508.047 4.938 50 0 KJAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc3S2)cc1 ZINC000016953490 553584963 /nfs/dbraw/zinc/58/49/63/553584963.db2.gz ZXINUQVVWOLHMQ-SANMLTNESA-N 0 0 506.624 4.641 50 0 KJAARN COc1ccc([C@H]2CC(=O)N(CC(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc3S2)cc1 ZINC000016953493 553584881 /nfs/dbraw/zinc/58/48/81/553584881.db2.gz ZXINUQVVWOLHMQ-AREMUKBSSA-N 0 0 506.624 4.641 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 ZINC000016954037 553585019 /nfs/dbraw/zinc/58/50/19/553585019.db2.gz SHWHNYZVPOZMBW-DEOSSOPVSA-N 0 0 508.596 4.930 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 ZINC000016954039 553584890 /nfs/dbraw/zinc/58/48/90/553584890.db2.gz SHWHNYZVPOZMBW-XMMPIXPASA-N 0 0 508.596 4.930 50 0 KJAARN Cc1cccc(NC(=O)CN2CCN(c3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)CC2)c1C ZINC000016957311 553585089 /nfs/dbraw/zinc/58/50/89/553585089.db2.gz FKOHNXUFMFUZIY-UHFFFAOYSA-N 0 0 508.630 4.736 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccc(OC)c(OC)c3)CC2=O)cc1OC ZINC000016959737 553585676 /nfs/dbraw/zinc/58/56/76/553585676.db2.gz DUCSSBUNBCZOKZ-VWLOTQADSA-N 0 0 508.596 4.930 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccc(OC)c(OC)c3)CC2=O)cc1OC ZINC000016959739 553585542 /nfs/dbraw/zinc/58/55/42/553585542.db2.gz DUCSSBUNBCZOKZ-RUZDIDTESA-N 0 0 508.596 4.930 50 0 KJAARN COC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000016959741 553585559 /nfs/dbraw/zinc/58/55/59/553585559.db2.gz XWQZSPZOWOAITL-DEOSSOPVSA-N 0 0 506.580 4.699 50 0 KJAARN COC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000016959743 553585552 /nfs/dbraw/zinc/58/55/52/553585552.db2.gz XWQZSPZOWOAITL-XMMPIXPASA-N 0 0 506.580 4.699 50 0 KJAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3S2)cc1OC ZINC000016959761 553585673 /nfs/dbraw/zinc/58/56/73/553585673.db2.gz LKKAZBYTLJHRFL-VWLOTQADSA-N 0 0 506.580 4.684 50 0 KJAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3S2)cc1OC ZINC000016959763 553585663 /nfs/dbraw/zinc/58/56/63/553585663.db2.gz LKKAZBYTLJHRFL-RUZDIDTESA-N 0 0 506.580 4.684 50 0 KJAARN COc1cccc(NC(=O)CN2c3ccccc3S[C@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)c1 ZINC000016960387 553585616 /nfs/dbraw/zinc/58/56/16/553585616.db2.gz UDPVYBLHYAJJDN-DEOSSOPVSA-N 0 0 508.596 4.930 50 0 KJAARN COc1cccc(NC(=O)CN2c3ccccc3S[C@@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)c1 ZINC000016960389 553585530 /nfs/dbraw/zinc/58/55/30/553585530.db2.gz UDPVYBLHYAJJDN-XMMPIXPASA-N 0 0 508.596 4.930 50 0 KJAARN COc1cccc2cc(-c3csc(NC(=O)C4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)n3)oc21 ZINC000016960791 553585579 /nfs/dbraw/zinc/58/55/79/553585579.db2.gz IKZFOIGBJSFOSP-UHFFFAOYSA-N 0 0 515.588 4.743 50 0 KJAARN COc1ccccc1NC(=O)CN1c2ccccc2S[C@H](c2cc(OC)c(OC)c(OC)c2)CC1=O ZINC000016973536 553585789 /nfs/dbraw/zinc/58/57/89/553585789.db2.gz ZYCXKUUVUNSNGS-DEOSSOPVSA-N 0 0 508.596 4.930 50 0 KJAARN COc1ccccc1NC(=O)CN1c2ccccc2S[C@@H](c2cc(OC)c(OC)c(OC)c2)CC1=O ZINC000016973541 553585803 /nfs/dbraw/zinc/58/58/03/553585803.db2.gz ZYCXKUUVUNSNGS-XMMPIXPASA-N 0 0 508.596 4.930 50 0 KJAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[nH]c2=O ZINC000016974253 553585773 /nfs/dbraw/zinc/58/57/73/553585773.db2.gz LMGZBUAALAGVKL-UHFFFAOYSA-N 0 0 509.897 4.933 50 0 KJAARN COCCNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc21)Cc1cc(OC)c(OC)c(OC)c1 ZINC000016977087 553586149 /nfs/dbraw/zinc/58/61/49/553586149.db2.gz OZGZNLZDPSILBW-UHFFFAOYSA-N 0 0 506.068 4.721 50 0 KJAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)s2)cc1OC ZINC000016991962 553586143 /nfs/dbraw/zinc/58/61/43/553586143.db2.gz XWUZVLISNOGKIA-UHFFFAOYSA-N 0 0 504.527 4.815 50 0 KJAARN COc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)n2)cc1 ZINC000017012804 553586289 /nfs/dbraw/zinc/58/62/89/553586289.db2.gz JASDJFBCWVEMFQ-UHFFFAOYSA-N 0 0 515.639 4.715 50 0 KJAARN COc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc5c(c4)Cc4ccccc4-5)CC3)n2)cc1 ZINC000017012819 553586200 /nfs/dbraw/zinc/58/62/00/553586200.db2.gz RSSPARJLELXCBB-UHFFFAOYSA-N 0 0 527.650 4.619 50 0 KJAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000017013815 553586600 /nfs/dbraw/zinc/58/66/00/553586600.db2.gz YUUUDXWYFWMZKS-UHFFFAOYSA-N 0 0 501.612 4.833 50 0 KJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc5c(c4)Cc4ccccc4-5)CC3)n2)cc1 ZINC000017042706 553587138 /nfs/dbraw/zinc/58/71/38/553587138.db2.gz AAPUQOFMHLBABY-UHFFFAOYSA-N 0 0 511.651 4.919 50 0 KJAARN COc1cccc2cc(-c3csc(NC(=O)C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)n3)oc21 ZINC000017043796 553587397 /nfs/dbraw/zinc/58/73/97/553587397.db2.gz DUFGKRGHKQADLP-UHFFFAOYSA-N 0 0 511.625 4.913 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3sc4c(c3c(=O)[nH]1)CCCC4)CCCC2 ZINC000017045125 553587428 /nfs/dbraw/zinc/58/74/28/553587428.db2.gz CZLWLCQZWYDPIR-UHFFFAOYSA-N 0 0 503.671 4.711 50 0 KJAARN COC(=O)[C@H](NC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12)c1ccccc1 ZINC000017058447 553587615 /nfs/dbraw/zinc/58/76/15/553587615.db2.gz FZMJVIPEDOROSZ-AVNKALEVSA-N 0 0 520.670 4.879 50 0 KJAARN CNC(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)c3ccccc23)cc1 ZINC000017138043 553588672 /nfs/dbraw/zinc/58/86/72/553588672.db2.gz VKDQJYRNKPFNMA-UHFFFAOYSA-N 0 0 503.628 4.785 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000017138641 553588693 /nfs/dbraw/zinc/58/86/93/553588693.db2.gz ULASYJNMFNVUJJ-UHFFFAOYSA-N 0 0 501.612 4.622 50 0 KJAARN CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3cc(C)ccc3C)c3ccccc32)ccc1C ZINC000017146597 553589080 /nfs/dbraw/zinc/58/90/80/553589080.db2.gz QMKIVHQEWJLJSA-UHFFFAOYSA-N 0 0 504.612 4.807 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CSc3nc4ccccc4s3)o2)nc1C ZINC000017146868 553589150 /nfs/dbraw/zinc/58/91/50/553589150.db2.gz IEKUEVWIRIUZEU-UHFFFAOYSA-N 0 0 507.644 4.644 50 0 KJAARN Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1-c1ccc(F)cc1 ZINC000017149154 553589156 /nfs/dbraw/zinc/58/91/56/553589156.db2.gz FZULGYOPIBICNE-UHFFFAOYSA-N 0 0 505.497 4.965 50 0 KJAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000017149170 553589103 /nfs/dbraw/zinc/58/91/03/553589103.db2.gz QNKVZJSRTOMRQR-UHFFFAOYSA-N 0 0 501.534 4.955 50 0 KJAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000017149172 553589331 /nfs/dbraw/zinc/58/93/31/553589331.db2.gz ILAVLLCIGZPQGF-UHFFFAOYSA-N 0 0 517.533 4.835 50 0 KJAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000017149178 553589363 /nfs/dbraw/zinc/58/93/63/553589363.db2.gz YCMQDKYBLOETIS-UHFFFAOYSA-N 0 0 501.534 4.955 50 0 KJAARN COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000017149185 553589353 /nfs/dbraw/zinc/58/93/53/553589353.db2.gz UXTSCLSYEMXHAV-UHFFFAOYSA-N 0 0 501.534 4.955 50 0 KJAARN CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000017155017 553589368 /nfs/dbraw/zinc/58/93/68/553589368.db2.gz YHTDWHRTWSPILW-WQRHYEAKSA-N 0 0 505.390 4.840 50 0 KJAARN CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000017155021 553589349 /nfs/dbraw/zinc/58/93/49/553589349.db2.gz OATDTLKKMBPRAS-GRSHGNNSSA-N 0 0 505.390 4.840 50 0 KJAARN CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OC ZINC000017155030 553589319 /nfs/dbraw/zinc/58/93/19/553589319.db2.gz WTYNZDDFFPADRM-WQRHYEAKSA-N 0 0 505.390 4.840 50 0 KJAARN O=S(=O)(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1ccc(F)c(C(F)(F)F)c1 ZINC000017156870 553589372 /nfs/dbraw/zinc/58/93/72/553589372.db2.gz XJINVKBFCWCEJS-UHFFFAOYSA-N 0 0 504.918 4.790 50 0 KJAARN COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC(C)(C)C)c3)c3ccccc23)cc1C(N)=O ZINC000017160332 553589515 /nfs/dbraw/zinc/58/95/15/553589515.db2.gz KPJGCZAPYIKTJV-UHFFFAOYSA-N 0 0 519.627 4.533 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1S(=O)(=O)NCCO ZINC000017161652 553589526 /nfs/dbraw/zinc/58/95/26/553589526.db2.gz HKBCILHIHAHLJZ-UHFFFAOYSA-N 0 0 503.411 4.926 50 0 KJAARN O=C(Cc1csc(NC(=O)NC2CCCC2)n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000017178347 553590101 /nfs/dbraw/zinc/59/01/01/553590101.db2.gz KASKCOFJXAINRM-UHFFFAOYSA-N 0 0 503.672 4.684 50 0 KJAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)Nc1ccc(OC(F)(F)F)cc1 ZINC000017179034 553590113 /nfs/dbraw/zinc/59/01/13/553590113.db2.gz KBPWAJMJUGKZMW-UHFFFAOYSA-N 0 0 507.559 4.764 50 0 KJAARN O=C(CCn1c(=O)c2ccccc2nc1SCc1ccccc1F)N1CCN(c2ccccc2)CC1 ZINC000017190223 553590109 /nfs/dbraw/zinc/59/01/09/553590109.db2.gz PKTORXPEHXYUGX-UHFFFAOYSA-N 0 0 502.615 4.567 50 0 KJAARN O=C(Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000017190245 553590095 /nfs/dbraw/zinc/59/00/95/553590095.db2.gz ZSZHRRTZGZANFI-UHFFFAOYSA-N 0 0 508.043 4.617 50 0 KJAARN CCCc1nnc(NC(=O)CCC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)s1 ZINC000017206638 553590484 /nfs/dbraw/zinc/59/04/84/553590484.db2.gz XYPXGKODIUZTFY-VWLOTQADSA-N 0 0 512.079 4.797 50 0 KJAARN CCCc1nnc(NC(=O)CCC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)s1 ZINC000017206641 553590489 /nfs/dbraw/zinc/59/04/89/553590489.db2.gz XYPXGKODIUZTFY-RUZDIDTESA-N 0 0 512.079 4.797 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc5ccccc5oc4=O)cs3)cc2)C1 ZINC000017244715 553591215 /nfs/dbraw/zinc/59/12/15/553591215.db2.gz VIDOMFLPIPDZTQ-IAGOWNOFSA-N 0 0 523.636 4.835 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc5ccccc5oc4=O)cs3)cc2)C1 ZINC000017244719 553591194 /nfs/dbraw/zinc/59/11/94/553591194.db2.gz VIDOMFLPIPDZTQ-CALCHBBNSA-N 0 0 523.636 4.835 50 0 KJAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)n2)cc1OC ZINC000017244723 553591333 /nfs/dbraw/zinc/59/13/33/553591333.db2.gz AJLOHJIUGAYTHU-CALCHBBNSA-N 0 0 515.657 4.746 50 0 KJAARN COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)n2)cc1 ZINC000017244727 553591206 /nfs/dbraw/zinc/59/12/06/553591206.db2.gz QXIAAGDSXYHHIO-CALCHBBNSA-N 0 0 513.641 4.516 50 0 KJAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)n2)c(OC)c1 ZINC000017244751 553591186 /nfs/dbraw/zinc/59/11/86/553591186.db2.gz ILXFEWHMNWPZGD-CALCHBBNSA-N 0 0 515.657 4.746 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cccc4Br)s3)cc2)C1 ZINC000017244860 553591168 /nfs/dbraw/zinc/59/11/68/553591168.db2.gz VNUPBZXYYAGKSY-OKILXGFUSA-N 0 0 508.463 4.978 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(Br)cc4s3)cc2)C1 ZINC000017244883 553591529 /nfs/dbraw/zinc/59/15/29/553591529.db2.gz XOCUBNVRBDIYOU-OKILXGFUSA-N 0 0 508.463 4.978 50 0 KJAARN C[C@@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(Br)cc3)c3ccccc32)C[C@H](C)O1 ZINC000017246693 553591560 /nfs/dbraw/zinc/59/15/60/553591560.db2.gz UMEZAKGNRRWACA-CALCHBBNSA-N 0 0 516.461 4.770 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cc5c6c(cccc46)CC5)s3)cc2)C[C@H](C)O1 ZINC000017247292 553591844 /nfs/dbraw/zinc/59/18/44/553591844.db2.gz QHYJVBYQJGONGW-IYBDPMFKSA-N 0 0 507.637 4.598 50 0 KJAARN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000017285687 561754493 /nfs/dbraw/zinc/75/44/93/561754493.db2.gz JXSRPOWUFCILDD-UNCFBQNHSA-N 0 0 567.642 4.800 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1 ZINC000017287903 553592063 /nfs/dbraw/zinc/59/20/63/553592063.db2.gz SWBGQWOAOQQSJI-VWLOTQADSA-N 0 0 512.031 4.554 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)cc1 ZINC000017287906 553592149 /nfs/dbraw/zinc/59/21/49/553592149.db2.gz SWBGQWOAOQQSJI-RUZDIDTESA-N 0 0 512.031 4.554 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3N3C(c4c(C)cc(C)cc4C)=NON23)cc1 ZINC000017287914 553592091 /nfs/dbraw/zinc/59/20/91/553592091.db2.gz BGMCKTLQYMPHJL-UHFFFAOYSA-N 0 0 519.627 4.548 50 0 KJAARN COc1ccccc1NC(=S)N(Cc1cn(C)nc1C)[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O ZINC000017297047 553592284 /nfs/dbraw/zinc/59/22/84/553592284.db2.gz BSAAVOQSEPBXOA-LJQANCHMSA-N 0 0 532.453 4.575 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)nc1-c1ccccc1 ZINC000017297444 553592238 /nfs/dbraw/zinc/59/22/38/553592238.db2.gz IJOCZZCNCZBLNA-HDICACEKSA-N 0 0 527.668 4.906 50 0 KJAARN O=C(c1ccc(F)cc1)[C@H](CCCCC[C@@H](CN1CCOCC1)C(=O)c1ccc(F)cc1)CN1CCOCC1 ZINC000017297455 553592367 /nfs/dbraw/zinc/59/23/67/553592367.db2.gz QAECBDXCFKOMLD-MKPDMIMOSA-N 0 0 542.667 4.878 50 0 KJAARN O=C(c1ccc(F)cc1)[C@H](CCCCC[C@H](CN1CCOCC1)C(=O)c1ccc(F)cc1)CN1CCOCC1 ZINC000017297458 553592355 /nfs/dbraw/zinc/59/23/55/553592355.db2.gz QAECBDXCFKOMLD-KAYWLYCHSA-N 0 0 542.667 4.878 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC[C@H](C)C2 ZINC000017297522 553592604 /nfs/dbraw/zinc/59/26/04/553592604.db2.gz JRKJWPDRIXYPKN-RCCFBDPRSA-N 0 0 518.701 4.969 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC[C@H](C)C2 ZINC000017297527 553592552 /nfs/dbraw/zinc/59/25/52/553592552.db2.gz JRKJWPDRIXYPKN-OKZBNKHCSA-N 0 0 518.701 4.969 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CCCC2 ZINC000017297533 553592487 /nfs/dbraw/zinc/59/24/87/553592487.db2.gz VNKLXOGHAPVQBS-IAGOWNOFSA-N 0 0 504.674 4.723 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CCCC2 ZINC000017297535 553592591 /nfs/dbraw/zinc/59/25/91/553592591.db2.gz VNKLXOGHAPVQBS-IRXDYDNUSA-N 0 0 504.674 4.723 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CCCC2 ZINC000017297537 553592587 /nfs/dbraw/zinc/59/25/87/553592587.db2.gz VNKLXOGHAPVQBS-CALCHBBNSA-N 0 0 504.674 4.723 50 0 KJAARN CCOc1cc(C(=O)NCC2N=NC(=S)N2c2ccc(Cl)c(Cl)c2)cc(OCC)c1OCC ZINC000017307079 553593129 /nfs/dbraw/zinc/59/31/29/553593129.db2.gz BGIXFJOQUMGQSX-UHFFFAOYSA-N 0 0 511.431 4.989 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000017320749 553593334 /nfs/dbraw/zinc/59/33/34/553593334.db2.gz DEDPOWKCMUNVBZ-HDICACEKSA-N 0 0 528.652 4.642 50 0 KJAARN O=C(Cc1csc(Nc2[nH]c(=S)nc3ccccc32)n1)NCCCN1CCN(c2ccccc2F)CC1 ZINC000017337624 553593604 /nfs/dbraw/zinc/59/36/04/553593604.db2.gz LIDOOAJDRNFUAK-UHFFFAOYSA-N 0 0 537.690 4.503 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)c3cc4oc(C)cc4n3Cc3c(F)cccc3Cl)CC2)CC1 ZINC000017337680 553593614 /nfs/dbraw/zinc/59/36/14/553593614.db2.gz CTBPMGZIZCMXLU-UHFFFAOYSA-N 0 0 573.065 4.973 50 0 KJAARN O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(COc2ccccc2Br)o1 ZINC000017337752 553593730 /nfs/dbraw/zinc/59/37/30/553593730.db2.gz OFIAUYKFZZZFNN-UHFFFAOYSA-N 0 0 525.403 4.555 50 0 KJAARN COc1ccc(CN2CCN(C(=O)c3cc(-c4cccnc4)nc4ccc(Cl)cc43)CC2)c(OC)c1OC ZINC000017356830 553593958 /nfs/dbraw/zinc/59/39/58/553593958.db2.gz XPBPUSHVNFQNMN-UHFFFAOYSA-N 0 0 533.028 4.934 50 0 KJAARN O=C(c1cc(-c2ccncc2)nc2ccc(Br)cc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017356833 553593902 /nfs/dbraw/zinc/59/39/02/553593902.db2.gz AIVYHUSLKPWLDI-UHFFFAOYSA-N 0 0 531.410 4.746 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC2N=NC(=S)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000017357147 553594267 /nfs/dbraw/zinc/59/42/67/553594267.db2.gz YHMXYNCQLCHFBA-UHFFFAOYSA-N 0 0 542.514 4.604 50 0 KJAARN C[C@]1(C(=O)NCCCCCCNC(=O)[C@]2(C)CC2(Br)Br)CC1(Br)Br ZINC000017377027 553595405 /nfs/dbraw/zinc/59/54/05/553595405.db2.gz VMMCMGBEHWUNQK-OKILXGFUSA-N 0 0 595.996 4.571 50 0 KJAARN Cc1ccc(C)c(CN2c3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000017434345 553596503 /nfs/dbraw/zinc/59/65/03/553596503.db2.gz CWGAJQMXVYCLRP-FAIXQHPJSA-N 0 0 550.684 4.988 50 0 KJAARN Cc1ccc(C)c(CN2c3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000017434348 553596557 /nfs/dbraw/zinc/59/65/57/553596557.db2.gz CWGAJQMXVYCLRP-RRHRGVEJSA-N 0 0 550.684 4.988 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000017434357 553596530 /nfs/dbraw/zinc/59/65/30/553596530.db2.gz JQNWZAXOHKJZFS-VWLOTQADSA-N 0 0 547.608 4.520 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000017434360 553596590 /nfs/dbraw/zinc/59/65/90/553596590.db2.gz JQNWZAXOHKJZFS-RUZDIDTESA-N 0 0 547.608 4.520 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)c(F)c3F)ccc2N2CCCC2)cc1 ZINC000017466202 553596713 /nfs/dbraw/zinc/59/67/13/553596713.db2.gz ZUPRDWYFZUPMRW-UHFFFAOYSA-N 0 0 523.508 4.905 50 0 KJAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000017527568 553597100 /nfs/dbraw/zinc/59/71/00/553597100.db2.gz LWSGGBWBLKIKAG-UHFFFAOYSA-N 0 0 557.676 4.560 50 0 KJAARN CC(=O)Nc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC[C@@H]4CCCO4)c3)c3ccccc32)cc1 ZINC000017527803 553597416 /nfs/dbraw/zinc/59/74/16/553597416.db2.gz MRBKMKPCTAIGPK-QHCPKHFHSA-N 0 0 531.638 4.765 50 0 KJAARN CC(=O)Nc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC[C@H]4CCCO4)c3)c3ccccc32)cc1 ZINC000017527805 553597372 /nfs/dbraw/zinc/59/73/72/553597372.db2.gz MRBKMKPCTAIGPK-HSZRJFAPSA-N 0 0 531.638 4.765 50 0 KJAARN COc1ccc(CNC(=O)COC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000017574456 553597690 /nfs/dbraw/zinc/59/76/90/553597690.db2.gz MFUHGWQNFGFCCZ-UHFFFAOYSA-N 0 0 530.549 4.501 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(O)c3ccccc3c2O)c1 ZINC000017574564 553597860 /nfs/dbraw/zinc/59/78/60/553597860.db2.gz LLNADSCWQJCUJO-UHFFFAOYSA-N 0 0 555.008 4.915 50 0 KJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)c1ccc2c(c1)NC(=O)CS2 ZINC000017574730 553598049 /nfs/dbraw/zinc/59/80/49/553598049.db2.gz PWCOSRZUOSVSEO-UHFFFAOYSA-N 0 0 518.414 4.546 50 0 KJAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000017574736 553598014 /nfs/dbraw/zinc/59/80/14/553598014.db2.gz YTMRGBNSIUCLQM-KETZHDHUSA-N 0 0 585.638 4.672 50 0 KJAARN C[C@H](OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000017574741 553598003 /nfs/dbraw/zinc/59/80/03/553598003.db2.gz YTMRGBNSIUCLQM-XTFSCAMASA-N 0 0 585.638 4.672 50 0 KJAARN O=C(CNc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1 ZINC000017576818 553598198 /nfs/dbraw/zinc/59/81/98/553598198.db2.gz KMVFRLJMQOLTKX-UHFFFAOYSA-N 0 0 526.364 4.770 50 0 KJAARN O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000017576849 553598245 /nfs/dbraw/zinc/59/82/45/553598245.db2.gz QHJHZMGPAXDRGP-UHFFFAOYSA-N 0 0 564.085 4.663 50 0 KJAARN O=C(CSC1=NN2CCCC(=O)N=C2S1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 ZINC000017576916 553598211 /nfs/dbraw/zinc/59/82/11/553598211.db2.gz OUVRBKQDWVKDRG-IBGZPJMESA-N 0 0 560.474 4.995 50 0 KJAARN O=C(CSC1=NN2CCCC(=O)N=C2S1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000017576921 553598284 /nfs/dbraw/zinc/59/82/84/553598284.db2.gz OUVRBKQDWVKDRG-LJQANCHMSA-N 0 0 560.474 4.995 50 0 KJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3N2)cc1 ZINC000017577836 553598276 /nfs/dbraw/zinc/59/82/76/553598276.db2.gz PPGRAHYXEVTJJI-RTWAWAEBSA-N 0 0 526.519 4.602 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)[C@@H]2OC(=O)c1ccccc1 ZINC000017654726 291872167 /nfs/dbraw/zinc/87/21/67/291872167.db2.gz UFCGDBKFOKKVAC-HYSLPFRTSA-N 0 0 536.577 4.958 50 0 biogenic,in-vitro KJAARN COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000017654728 291872165 /nfs/dbraw/zinc/87/21/65/291872165.db2.gz UFCGDBKFOKKVAC-VLPWJMHXSA-N 0 0 536.577 4.958 50 0 biogenic KJAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2c3CCCC2)c2ccccc2)cc1 ZINC000017729736 553599362 /nfs/dbraw/zinc/59/93/62/553599362.db2.gz KFAVFFAOPVFRPH-SANMLTNESA-N 0 0 503.576 4.605 50 0 KJAARN COc1ccccc1NC(=O)[C@H](CCSC)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017835440 553599903 /nfs/dbraw/zinc/59/99/03/553599903.db2.gz QDBRCJQGWLXIDH-OAICBNNCSA-N 0 0 512.631 4.648 50 0 KJAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000017836007 553600011 /nfs/dbraw/zinc/60/00/11/553600011.db2.gz XBBIEGFKVNGMRY-XPNTWCBSSA-N 0 0 509.356 4.523 50 0 KJAARN COc1ccccc1NC(=O)[C@@H](CCSC)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017862898 553600202 /nfs/dbraw/zinc/60/02/02/553600202.db2.gz QDBRCJQGWLXIDH-PXGXXNHBSA-N 0 0 512.631 4.648 50 0 KJAARN CSCC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017886700 553600414 /nfs/dbraw/zinc/60/04/14/553600414.db2.gz HSDAGJFYJOYEFF-NGTCRZMDSA-N 0 0 524.642 4.842 50 0 KJAARN Cc1ccc(C)c(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000017888379 553600341 /nfs/dbraw/zinc/60/03/41/553600341.db2.gz LIHGUQHVXVXRJZ-GYHIUYGSSA-N 0 0 521.613 4.946 50 0 KJAARN CSCC[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017918696 553600595 /nfs/dbraw/zinc/60/05/95/553600595.db2.gz HAENGIQPIGXXIV-NGTCRZMDSA-N 0 0 524.642 4.842 50 0 KJAARN CCS(=O)(=O)c1ccc(O)c(NC=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 ZINC000017949723 1066463817 /nfs/dbraw/zinc/46/38/17/1066463817.db2.gz ZPKMFOYWVKJNJF-ZHZULCJRSA-N 0 0 516.497 4.845 50 0 KJAARN COc1ccc(NC(=O)[C@H](CCSC)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000017993660 553601364 /nfs/dbraw/zinc/60/13/64/553601364.db2.gz YXCQPGUOSZPZLJ-HGKBCKHUSA-N 0 0 512.631 4.648 50 0 KJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000018008796 553601533 /nfs/dbraw/zinc/60/15/33/553601533.db2.gz DAQUNTKUSAKCBQ-KAOXLYBCSA-N 0 0 505.361 4.511 50 0 KJAARN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018010912 553601434 /nfs/dbraw/zinc/60/14/34/553601434.db2.gz BZYYLYYTEBWSRW-VJGNERBWSA-N 0 0 502.567 4.934 50 0 KJAARN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018033630 553601908 /nfs/dbraw/zinc/60/19/08/553601908.db2.gz LRBKOSZXIYIYBS-PFBJBMPXSA-N 0 0 502.567 4.934 50 0 KJAARN O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1cccc(Br)c1 ZINC000018037740 553601852 /nfs/dbraw/zinc/60/18/52/553601852.db2.gz RXVFDTUMGMCGSZ-UEQSERJNSA-N 0 0 501.380 4.833 50 0 aggregator KJAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000018038130 553601835 /nfs/dbraw/zinc/60/18/35/553601835.db2.gz GLCNHWBHNNLGNE-IARZGTGTSA-N 0 0 520.541 4.966 50 0 KJAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000018054735 553602210 /nfs/dbraw/zinc/60/22/10/553602210.db2.gz DPSCPAUNQJIQFK-ZRBLBEILSA-N 0 0 509.356 4.517 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)ccc2-3)C1 ZINC000018056901 553602474 /nfs/dbraw/zinc/60/24/74/553602474.db2.gz BCMIVSGKFAMICG-XSDIEEQYSA-N 0 0 516.729 4.591 50 0 KJAARN CC(C)(C)C(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018057424 553602463 /nfs/dbraw/zinc/60/24/63/553602463.db2.gz DGTSANDCMFBVSA-BYVAMKTGSA-N 0 0 521.613 4.648 50 0 KJAARN COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1 ZINC000018059857 553602433 /nfs/dbraw/zinc/60/24/33/553602433.db2.gz RHWGIEUEWUDEIY-VABKMULXSA-N 0 0 510.377 4.570 50 0 KJAARN CCCNC(=S)N1C[C@]2(C)CN(P(=O)(Oc3ccccc3)Oc3ccccc3)C[C@](C)(C1)C2=O ZINC000018067374 553603171 /nfs/dbraw/zinc/60/31/71/553603171.db2.gz HSSLGWNMJNIHHA-PLQXJYEYSA-N 0 0 501.589 4.750 50 0 KJAARN COc1ccc(NC(=O)[C@@H](CCSC)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000018067727 553603039 /nfs/dbraw/zinc/60/30/39/553603039.db2.gz YXCQPGUOSZPZLJ-YPDFRVAJSA-N 0 0 512.631 4.648 50 0 KJAARN CC(C)(C)C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018068710 553603034 /nfs/dbraw/zinc/60/30/34/553603034.db2.gz DGTSANDCMFBVSA-AZFUDACUSA-N 0 0 521.613 4.648 50 0 KJAARN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1)c1ccccc1 ZINC000018081480 553603516 /nfs/dbraw/zinc/60/35/16/553603516.db2.gz JJNKLCHCGHCRMY-IARZGTGTSA-N 0 0 504.542 4.953 50 0 KJAARN O=C1[C@H]2ON(c3ccc(Br)cc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000018083943 553603821 /nfs/dbraw/zinc/60/38/21/553603821.db2.gz QWVYWZXTRYISRT-UFYCRDLUSA-N 0 0 518.289 4.914 50 0 KJAARN Cc1cc(NC(=O)c2sc(Nc3ccc(F)cc3)c(C(=O)N3CCCC3)c2N)ccc1Br ZINC000018086625 553603819 /nfs/dbraw/zinc/60/38/19/553603819.db2.gz XCLLYUOMWACJJP-FQEVSTJZSA-N 0 0 517.424 4.916 50 0 KJAARN CCCC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018097215 553604122 /nfs/dbraw/zinc/60/41/22/553604122.db2.gz YAGHYOBBZABUMG-NGTCRZMDSA-N 0 0 522.601 4.863 50 0 KJAARN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018101197 553604058 /nfs/dbraw/zinc/60/40/58/553604058.db2.gz OXSDCKPRHHQRMH-PFBJBMPXSA-N 0 0 502.567 4.934 50 0 KJAARN COc1ccc(CCN(C(=O)c2ccc(Cl)cc2)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000018107250 553604490 /nfs/dbraw/zinc/60/44/90/553604490.db2.gz VSEGLBKYNPUHHQ-JOCHJYFZSA-N 0 0 510.949 4.513 50 0 KJAARN Cc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c3ccccc32)c(C)c1 ZINC000018116614 553604998 /nfs/dbraw/zinc/60/49/98/553604998.db2.gz CJKQXBJTSDBZCQ-UHFFFAOYSA-N 0 0 501.656 4.902 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)sc2c1C[C@@H](C)CC2 ZINC000018117606 553604984 /nfs/dbraw/zinc/60/49/84/553604984.db2.gz PQIBBLOREVCMCB-QRISMSBMSA-N 0 0 504.608 4.613 50 0 KJAARN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018118315 553604948 /nfs/dbraw/zinc/60/49/48/553604948.db2.gz XITPCMNFQGWLBM-VJGNERBWSA-N 0 0 502.567 4.934 50 0 KJAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncn(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000018130700 553605739 /nfs/dbraw/zinc/60/57/39/553605739.db2.gz ZLZALCQAOCKIFM-UHFFFAOYSA-N 0 0 517.438 4.990 50 0 KJAARN O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000018142582 553605974 /nfs/dbraw/zinc/60/59/74/553605974.db2.gz ZHJKKJFZCXMXKG-DTXPUJKBSA-N 0 0 535.688 4.707 50 0 KJAARN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 ZINC000018143025 553605934 /nfs/dbraw/zinc/60/59/34/553605934.db2.gz DQXZJFFQKXFJNL-HJOGWXRNSA-N 0 0 518.411 4.580 50 0 KJAARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12)c1ccc(F)cc1 ZINC000018145106 553606331 /nfs/dbraw/zinc/60/63/31/553606331.db2.gz XPWOMIFNBDIXNV-KAOXLYBCSA-N 0 0 508.336 4.894 50 0 KJAARN O=Cc1ccc(OC(=O)C2CCC(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)CC2)cc1 ZINC000018148980 553606295 /nfs/dbraw/zinc/60/62/95/553606295.db2.gz NEUGSECSQNPZSK-LDKCJQNGSA-N 0 0 505.570 4.856 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)ccc2-3)C1 ZINC000018155841 553606657 /nfs/dbraw/zinc/60/66/57/553606657.db2.gz BCMIVSGKFAMICG-NCYKPQTJSA-N 0 0 516.729 4.591 50 0 KJAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000018155969 553606577 /nfs/dbraw/zinc/60/65/77/553606577.db2.gz ORZJXFWSHDYGJN-ZOGBZOHDSA-N 0 0 502.570 4.763 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)ccc2-3)C1 ZINC000018157050 553606507 /nfs/dbraw/zinc/60/65/07/553606507.db2.gz BCMIVSGKFAMICG-FXELSEDVSA-N 0 0 516.729 4.591 50 0 KJAARN 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O=C(c1ccco1)N1CCN([C@@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019939631 553638103 /nfs/dbraw/zinc/63/81/03/553638103.db2.gz PGBMMNZHOGVERQ-CLJLJLNGSA-N 0 0 522.026 4.619 50 0 KJAARN CCCCCOC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019940225 553638108 /nfs/dbraw/zinc/63/81/08/553638108.db2.gz UWLUJJZJFOOVMN-UHFFFAOYSA-N 0 0 516.689 4.753 50 0 KJAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019942812 553645779 /nfs/dbraw/zinc/64/57/79/553645779.db2.gz GLIQVEVWCSPZIB-UHFFFAOYSA-N 0 0 501.446 4.554 50 0 KJAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)N2CCN(C)CC2)c1 ZINC000019944791 553646129 /nfs/dbraw/zinc/64/61/29/553646129.db2.gz NSAQPRFJAQRUMN-SSEXGKCCSA-N 0 0 508.622 4.553 50 0 KJAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)N2CCN(C)CC2)c1 ZINC000019944795 553646192 /nfs/dbraw/zinc/64/61/92/553646192.db2.gz NSAQPRFJAQRUMN-PMERELPUSA-N 0 0 508.622 4.553 50 0 KJAARN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1SCC(=O)Nc1ccccc1 ZINC000019950002 553646947 /nfs/dbraw/zinc/64/69/47/553646947.db2.gz GJUQDGHCOPCXAO-UHFFFAOYSA-N 0 0 521.668 4.658 50 0 KJAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000019951943 553647316 /nfs/dbraw/zinc/64/73/16/553647316.db2.gz CCJQWUIVCZNIPC-UHFFFAOYSA-N 0 0 500.020 4.534 50 0 KJAARN O=C(c1cncs1)N(CCC1=CCCCC1)Cc1cc2cc3c(cc2nc1N1CCOCC1)OCO3 ZINC000019953405 1067162325 /nfs/dbraw/zinc/16/23/25/1067162325.db2.gz ZCBWMISHOPKOOY-UHFFFAOYSA-N 0 0 506.628 4.790 50 0 KJAARN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000020028446 553663774 /nfs/dbraw/zinc/66/37/74/553663774.db2.gz CTMAQXASIAUSHZ-UHFFFAOYSA-N 0 0 518.466 4.533 50 0 KJAARN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000020028447 553663747 /nfs/dbraw/zinc/66/37/47/553663747.db2.gz NIRZAMJEZUQDQF-UHFFFAOYSA-N 0 0 518.466 4.533 50 0 KJAARN CS(=O)(=O)N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccc2ccccc21 ZINC000020028448 553663720 /nfs/dbraw/zinc/66/37/20/553663720.db2.gz ZNKDKTHESQQXTH-UHFFFAOYSA-N 0 0 513.663 4.540 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccc(C(C)C)cc2)cc1 ZINC000020028450 553663760 /nfs/dbraw/zinc/66/37/60/553663760.db2.gz VCPOOZAZRJABRH-UHFFFAOYSA-N 0 0 505.684 4.658 50 0 KJAARN O=C(CCN1CCOCC1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000020029165 553663725 /nfs/dbraw/zinc/66/37/25/553663725.db2.gz OQDBUUKOONSXSL-NRFANRHFSA-N 0 0 521.253 4.612 50 0 KJAARN O=C(CCN1CCOCC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000020029166 553663816 /nfs/dbraw/zinc/66/38/16/553663816.db2.gz OQDBUUKOONSXSL-OAQYLSRUSA-N 0 0 521.253 4.612 50 0 KJAARN Cc1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000020029301 553664087 /nfs/dbraw/zinc/66/40/87/553664087.db2.gz RGYXZVWODCAECT-UHFFFAOYSA-N 0 0 505.669 4.994 50 0 KJAARN Cc1ccc(C(=O)N2CCN([C@H]3c4cccc5cccc(c45)[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020029392 553664169 /nfs/dbraw/zinc/66/41/69/553664169.db2.gz OXKSCZRCMSYMHX-VMPREFPWSA-N 0 0 511.647 4.681 50 0 aggregator KJAARN Cc1ccc(C(=O)N2CCN([C@@H]3c4cccc5cccc(c45)[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020029393 553664045 /nfs/dbraw/zinc/66/40/45/553664045.db2.gz OXKSCZRCMSYMHX-URLMMPGGSA-N 0 0 511.647 4.681 50 0 aggregator KJAARN Cc1ccc(C(=O)N2CCN([C@H]3c4cccc5cccc(c45)[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020029395 553664160 /nfs/dbraw/zinc/66/41/60/553664160.db2.gz OXKSCZRCMSYMHX-WDYNHAJCSA-N 0 0 511.647 4.681 50 0 aggregator KJAARN Cc1ccc(C(=O)N2CCN([C@@H]3c4cccc5cccc(c45)[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020029397 553664150 /nfs/dbraw/zinc/66/41/50/553664150.db2.gz OXKSCZRCMSYMHX-FQLXRVMXSA-N 0 0 511.647 4.681 50 0 aggregator KJAARN Cc1cccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)c1 ZINC000020029598 553664036 /nfs/dbraw/zinc/66/40/36/553664036.db2.gz DYUDERILVGHZKI-UHFFFAOYSA-N 0 0 505.669 4.994 50 0 KJAARN COc1ccccc1NC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020057852 553671391 /nfs/dbraw/zinc/67/13/91/553671391.db2.gz TUPJSZPYOAFVQN-UHFFFAOYSA-N 0 0 521.668 4.694 50 0 KJAARN COc1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000020057879 553671447 /nfs/dbraw/zinc/67/14/47/553671447.db2.gz KNBWNNJYXBUIBR-UHFFFAOYSA-N 0 0 521.668 4.694 50 0 KJAARN COc1cccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)c1 ZINC000020057937 553671465 /nfs/dbraw/zinc/67/14/65/553671465.db2.gz CYIUYJJTWGTAGC-UHFFFAOYSA-N 0 0 521.668 4.694 50 0 KJAARN COc1ccc(CCNc2nc(N3CCCC3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1OC ZINC000020058981 553671616 /nfs/dbraw/zinc/67/16/16/553671616.db2.gz YNINKSSVKLCFPC-UHFFFAOYSA-N 0 0 502.663 4.603 50 0 KJAARN CC(=O)C1=C(C)NC(SCC(=O)NC23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000020072044 553676096 /nfs/dbraw/zinc/67/60/96/553676096.db2.gz JYDJITDXYXLRPG-ZZQKJMNASA-N 0 0 506.628 4.698 50 0 KJAARN CN(C(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)c1ccccc1 ZINC000020080298 553678266 /nfs/dbraw/zinc/67/82/66/553678266.db2.gz YMFRLELPAPDEHV-UHFFFAOYSA-N 0 0 505.669 4.710 50 0 KJAARN O=C(NCCCN1CCOCC1)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000020083535 553684230 /nfs/dbraw/zinc/68/42/30/553684230.db2.gz LVKFFOJYALHEDI-MEFGMAGPSA-N 0 0 520.029 4.742 50 0 KJAARN C[C@H](CCc1ccccc1)Nc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000020083657 553684426 /nfs/dbraw/zinc/68/44/26/553684426.db2.gz QIOYXAAVEVWOCD-QGZVFWFLSA-N 0 0 504.660 4.756 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000020100670 553686729 /nfs/dbraw/zinc/68/67/29/553686729.db2.gz GBZYRGHRSUYICI-UHFFFAOYSA-N 0 0 506.411 4.883 50 0 KJAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCN(c4ccccc4F)CC2)C3=O)c1 ZINC000020101706 553687181 /nfs/dbraw/zinc/68/71/81/553687181.db2.gz PZCRKLYWKXCEQV-GDLZYMKVSA-N 0 0 516.642 4.502 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4c[nH]c5ccccc45)c3n2)cc1OC ZINC000020102021 553687398 /nfs/dbraw/zinc/68/73/98/553687398.db2.gz LAQQTJJGEFNEGT-UHFFFAOYSA-N 0 0 509.488 4.886 50 0 biogenic KJAARN CCOC(=O)CSc1nc2cc(C(=O)NCc3ccccc3Cl)ccc2c(=O)n1Cc1ccccc1 ZINC000020102068 553687319 /nfs/dbraw/zinc/68/73/19/553687319.db2.gz NDVKIPRBJDZILF-UHFFFAOYSA-N 0 0 522.026 4.683 50 0 KJAARN CCOC(=O)CSc1nc2cc(C(=O)NCc3cccc(Cl)c3)ccc2c(=O)n1Cc1ccccc1 ZINC000020102070 553687332 /nfs/dbraw/zinc/68/73/32/553687332.db2.gz YPMYJVDIYHEXOQ-UHFFFAOYSA-N 0 0 522.026 4.683 50 0 KJAARN CCOC(=O)CSc1nc2cc(C(=O)N(C)Cc3ccccc3)ccc2c(=O)n1CCc1ccccc1 ZINC000020102079 553687291 /nfs/dbraw/zinc/68/72/91/553687291.db2.gz WFLFSJYHIALCQQ-UHFFFAOYSA-N 0 0 515.635 4.567 50 0 KJAARN CCCCCn1c(=O)c2ccc(C(=O)NCc3ccccc3Cl)cc2nc1SCC(=O)OCC ZINC000020102132 553687375 /nfs/dbraw/zinc/68/73/75/553687375.db2.gz XYUCWJSIIUOKQB-UHFFFAOYSA-N 0 0 502.036 4.825 50 0 KJAARN CCCCCn1c(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2nc1SCC(=O)OCC ZINC000020102135 553687345 /nfs/dbraw/zinc/68/73/45/553687345.db2.gz AZYAVRHTCFMJQQ-UHFFFAOYSA-N 0 0 502.036 4.825 50 0 KJAARN O=C(c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(F)(F)F)c1)c2=O)N1CCN(c2ccccc2)CC1 ZINC000020102374 553687625 /nfs/dbraw/zinc/68/76/25/553687625.db2.gz IYZWZAARFAVLPB-UHFFFAOYSA-N 0 0 510.541 4.656 50 0 KJAARN COc1cccc(-n2cc(C(=O)NCCC(=O)Nc3ccc(C(F)(F)F)cc3)c3ccccc3c2=O)c1 ZINC000020103151 553687645 /nfs/dbraw/zinc/68/76/45/553687645.db2.gz CKGMYVSRFUFWHS-UHFFFAOYSA-N 0 0 509.484 4.777 50 0 KJAARN Cc1nnc(NC(=O)CSc2cn(CCNC(=O)c3cccc(C(F)(F)F)c3)c3ccccc23)s1 ZINC000020103923 553687913 /nfs/dbraw/zinc/68/79/13/553687913.db2.gz HLSGHVRMIJEAFX-UHFFFAOYSA-N 0 0 519.574 4.981 50 0 KJAARN COc1ccccc1N1CCN(c2ncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc32)CC1 ZINC000020103955 553687931 /nfs/dbraw/zinc/68/79/31/553687931.db2.gz OZKOYBGOILSLFW-UHFFFAOYSA-N 0 0 525.628 4.672 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104342 553688431 /nfs/dbraw/zinc/68/84/31/553688431.db2.gz FFKYTWRSDFXDSN-MFMCTBQISA-N 0 0 513.638 4.533 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104344 553688450 /nfs/dbraw/zinc/68/84/50/553688450.db2.gz FFKYTWRSDFXDSN-JDXGNMNLSA-N 0 0 513.638 4.533 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104346 553688438 /nfs/dbraw/zinc/68/84/38/553688438.db2.gz FFKYTWRSDFXDSN-PQHLKRTFSA-N 0 0 513.638 4.533 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104348 553688498 /nfs/dbraw/zinc/68/84/98/553688498.db2.gz FFKYTWRSDFXDSN-DGPALRBDSA-N 0 0 513.638 4.533 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104553 553688780 /nfs/dbraw/zinc/68/87/80/553688780.db2.gz GYVULLPOSHKSRV-KDYSTLNUSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104555 553688754 /nfs/dbraw/zinc/68/87/54/553688754.db2.gz GYVULLPOSHKSRV-IDISGSTGSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104557 553688789 /nfs/dbraw/zinc/68/87/89/553688789.db2.gz GYVULLPOSHKSRV-JIPXPUAJSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104559 553688776 /nfs/dbraw/zinc/68/87/76/553688776.db2.gz GYVULLPOSHKSRV-ZBLYBZFDSA-N 0 0 520.582 4.853 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3ccccc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104561 553688747 /nfs/dbraw/zinc/68/87/47/553688747.db2.gz RBJDEEATJHBFRV-RBJSKKJNSA-N 0 0 518.610 4.864 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N(C)Cc3ccccc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104563 553688756 /nfs/dbraw/zinc/68/87/56/553688756.db2.gz RBJDEEATJHBFRV-CUBQBAPOSA-N 0 0 518.610 4.864 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N(C)Cc3ccccc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104565 553688751 /nfs/dbraw/zinc/68/87/51/553688751.db2.gz RBJDEEATJHBFRV-UFHPHHKVSA-N 0 0 518.610 4.864 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N(C)Cc3ccccc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104567 553688761 /nfs/dbraw/zinc/68/87/61/553688761.db2.gz RBJDEEATJHBFRV-YWEHKCAJSA-N 0 0 518.610 4.864 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCc3ccc(Cl)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020104650 553689155 /nfs/dbraw/zinc/68/91/55/553689155.db2.gz XNUHESQVADQFDJ-IZZNHLLZSA-N 0 0 509.002 4.635 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)NCCc3ccc(Cl)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020104652 553689110 /nfs/dbraw/zinc/68/91/10/553689110.db2.gz XNUHESQVADQFDJ-UIOOFZCWSA-N 0 0 509.002 4.635 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)NCCc3ccc(Cl)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020104654 553689139 /nfs/dbraw/zinc/68/91/39/553689139.db2.gz XNUHESQVADQFDJ-CLJLJLNGSA-N 0 0 509.002 4.635 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)NCCc3ccc(Cl)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020104656 553689065 /nfs/dbraw/zinc/68/90/65/553689065.db2.gz XNUHESQVADQFDJ-FTJBHMTQSA-N 0 0 509.002 4.635 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)NCc3cccs3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020104711 553689147 /nfs/dbraw/zinc/68/91/47/553689147.db2.gz JXQKNMKHVZCZCK-PXDATVDWSA-N 0 0 510.612 4.583 50 0 KJAARN COc1ccc(CNC(=O)CCC(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)c(OC)c1 ZINC000020104862 553689151 /nfs/dbraw/zinc/68/91/51/553689151.db2.gz VLLCGFWBQNUPAW-UHFFFAOYSA-N 0 0 504.631 4.832 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)NCc1ccc(F)cc1Cl)[C@H](c1ccccc1F)N(C)C2=O ZINC000020104866 553689106 /nfs/dbraw/zinc/68/91/06/553689106.db2.gz KGTSSBCPHTVWOI-ZEQRLZLVSA-N 0 0 500.929 4.862 50 0 KJAARN CC(C)Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc(CC(C)C)cc3)C[C@H]2C)cc1 ZINC000020107593 553690521 /nfs/dbraw/zinc/69/05/21/553690521.db2.gz YFHAAKUMHGXOAF-SZPZYZBQSA-N 0 0 506.734 4.556 50 0 KJAARN CC(C)Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc(CC(C)C)cc3)C[C@@H]2C)cc1 ZINC000020107595 553690581 /nfs/dbraw/zinc/69/05/81/553690581.db2.gz YFHAAKUMHGXOAF-VXKWHMMOSA-N 0 0 506.734 4.556 50 0 KJAARN COc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000020108338 553691104 /nfs/dbraw/zinc/69/11/04/553691104.db2.gz DHWFDARBLRYZMT-UIOOFZCWSA-N 0 0 501.583 4.601 50 0 KJAARN COc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000020108341 553691174 /nfs/dbraw/zinc/69/11/74/553691174.db2.gz DHWFDARBLRYZMT-IZZNHLLZSA-N 0 0 501.583 4.601 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC000020108343 553691436 /nfs/dbraw/zinc/69/14/36/553691436.db2.gz DIWUBADAHCJUNK-IZZNHLLZSA-N 0 0 501.583 4.635 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC000020108346 553691462 /nfs/dbraw/zinc/69/14/62/553691462.db2.gz DIWUBADAHCJUNK-FTJBHMTQSA-N 0 0 501.583 4.635 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC000020108348 553691445 /nfs/dbraw/zinc/69/14/45/553691445.db2.gz DIWUBADAHCJUNK-CLJLJLNGSA-N 0 0 501.583 4.635 50 0 KJAARN COc1ccc(C(=O)N(Cc2ccco2)Cc2cc3c(OC)ccc(OC)c3nc2N2CCOCC2)cc1 ZINC000020109476 1067162385 /nfs/dbraw/zinc/16/23/85/1067162385.db2.gz LHGIDYSJEZNBPA-UHFFFAOYSA-N 0 0 517.582 4.533 50 0 KJAARN CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000020112408 553694272 /nfs/dbraw/zinc/69/42/72/553694272.db2.gz WJCDIESNINXMLG-ZZSKNEMNSA-N 0 0 516.436 4.986 50 0 KJAARN COc1cc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000020113097 553695074 /nfs/dbraw/zinc/69/50/74/553695074.db2.gz OZJSYLSKFUXFAH-RXFWQSSRSA-N 0 0 522.529 4.703 50 0 KJAARN COc1cc([C@H]2[C@@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000020113099 553695064 /nfs/dbraw/zinc/69/50/64/553695064.db2.gz OZJSYLSKFUXFAH-FNZWTVRRSA-N 0 0 522.529 4.703 50 0 KJAARN COc1cc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000020113101 553695170 /nfs/dbraw/zinc/69/51/70/553695170.db2.gz OZJSYLSKFUXFAH-FQRUVTKNSA-N 0 0 522.529 4.703 50 0 KJAARN COc1cc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000020113103 553695180 /nfs/dbraw/zinc/69/51/80/553695180.db2.gz OZJSYLSKFUXFAH-IBVKSMDESA-N 0 0 522.529 4.703 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2sccc2C)cc1 ZINC000020115226 553696951 /nfs/dbraw/zinc/69/69/51/553696951.db2.gz XZJDRDWYRDESLD-QFIPXVFZSA-N 0 0 509.653 4.647 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2sccc2C)cc1 ZINC000020115228 553696859 /nfs/dbraw/zinc/69/68/59/553696859.db2.gz XZJDRDWYRDESLD-JOCHJYFZSA-N 0 0 509.653 4.647 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)[C@@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)CC1 ZINC000020116088 553697120 /nfs/dbraw/zinc/69/71/20/553697120.db2.gz OHOIGSBHGXNRND-MASDEKCNSA-N 0 0 509.691 4.646 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)[C@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)CC1 ZINC000020116090 553697151 /nfs/dbraw/zinc/69/71/51/553697151.db2.gz OHOIGSBHGXNRND-QMLMGQGISA-N 0 0 509.691 4.646 50 0 KJAARN CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000020116115 553697391 /nfs/dbraw/zinc/69/73/91/553697391.db2.gz RUUFAZIEMOCAQG-UGMUEJTRSA-N 0 0 500.687 4.653 50 0 KJAARN CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000020116117 553697513 /nfs/dbraw/zinc/69/75/13/553697513.db2.gz RUUFAZIEMOCAQG-QHVWKXNMSA-N 0 0 500.687 4.653 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020116791 553697581 /nfs/dbraw/zinc/69/75/81/553697581.db2.gz HZVQPWDRNHZCNM-BKMJKUGQSA-N 0 0 508.546 4.983 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3C[C@H](C)C[C@H](C)C3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020116822 553697691 /nfs/dbraw/zinc/69/76/91/553697691.db2.gz HYPCEHUOMUMROC-MTGHPLFISA-N 0 0 510.631 4.710 50 0 KJAARN COc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(SC)cc2)c(OC)c1 ZINC000020117228 553698004 /nfs/dbraw/zinc/69/80/04/553698004.db2.gz DYRLNTGIQMVJIN-IZZNHLLZSA-N 0 0 522.623 4.992 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(SC)cc2)c(OC)c1 ZINC000020117230 553698013 /nfs/dbraw/zinc/69/80/13/553698013.db2.gz DYRLNTGIQMVJIN-CLJLJLNGSA-N 0 0 522.623 4.992 50 0 KJAARN COc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(SC)cc2)c(OC)c1 ZINC000020117232 553697996 /nfs/dbraw/zinc/69/79/96/553697996.db2.gz DYRLNTGIQMVJIN-UIOOFZCWSA-N 0 0 522.623 4.992 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(SC)cc2)c(OC)c1 ZINC000020117234 553698141 /nfs/dbraw/zinc/69/81/41/553698141.db2.gz DYRLNTGIQMVJIN-FTJBHMTQSA-N 0 0 522.623 4.992 50 0 KJAARN COc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(SC)cc2)cc1OC ZINC000020117244 553698137 /nfs/dbraw/zinc/69/81/37/553698137.db2.gz KORDAERCSMGDNF-IZZNHLLZSA-N 0 0 522.623 4.992 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(SC)cc2)cc1OC ZINC000020117246 553698126 /nfs/dbraw/zinc/69/81/26/553698126.db2.gz KORDAERCSMGDNF-CLJLJLNGSA-N 0 0 522.623 4.992 50 0 KJAARN COc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(SC)cc2)cc1OC ZINC000020117248 553698128 /nfs/dbraw/zinc/69/81/28/553698128.db2.gz KORDAERCSMGDNF-UIOOFZCWSA-N 0 0 522.623 4.992 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(SC)cc2)cc1OC ZINC000020117250 553698134 /nfs/dbraw/zinc/69/81/34/553698134.db2.gz KORDAERCSMGDNF-FTJBHMTQSA-N 0 0 522.623 4.992 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117276 553590985 /nfs/dbraw/zinc/59/09/85/553590985.db2.gz CDUKGAUFQMNPKQ-CLJLJLNGSA-N 0 0 520.607 4.746 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117278 553591061 /nfs/dbraw/zinc/59/10/61/553591061.db2.gz CDUKGAUFQMNPKQ-IZZNHLLZSA-N 0 0 520.607 4.746 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117280 553591051 /nfs/dbraw/zinc/59/10/51/553591051.db2.gz CDUKGAUFQMNPKQ-FTJBHMTQSA-N 0 0 520.607 4.746 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000020117282 553590971 /nfs/dbraw/zinc/59/09/71/553590971.db2.gz CDUKGAUFQMNPKQ-UIOOFZCWSA-N 0 0 520.607 4.746 50 0 KJAARN COc1ccc(OC)c(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(SC)cc2)c1 ZINC000020117336 553591053 /nfs/dbraw/zinc/59/10/53/553591053.db2.gz MTPIOPAUDUOSGI-UIOOFZCWSA-N 0 0 522.623 4.992 50 0 KJAARN Cc1ccccc1NC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020129895 553591044 /nfs/dbraw/zinc/59/10/44/553591044.db2.gz YTNLEJISITZSJG-UHFFFAOYSA-N 0 0 505.669 4.994 50 0 KJAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1c2ccsc2c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000020131078 553591703 /nfs/dbraw/zinc/59/17/03/553591703.db2.gz TXVKAKYGEWPJDQ-IBGZPJMESA-N 0 0 501.530 4.809 50 0 KJAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1c2ccsc2c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000020131081 553591667 /nfs/dbraw/zinc/59/16/67/553591667.db2.gz TXVKAKYGEWPJDQ-LJQANCHMSA-N 0 0 501.530 4.809 50 0 KJAARN COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(F)cc3Cl)c2=O)CCCC4)c(OC)c1 ZINC000020131099 553591736 /nfs/dbraw/zinc/59/17/36/553591736.db2.gz RAELPPXBAXCDBM-UHFFFAOYSA-N 0 0 500.979 4.951 50 0 KJAARN COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1 ZINC000020131205 553591608 /nfs/dbraw/zinc/59/16/08/553591608.db2.gz YFVHAABQPDTMGH-UHFFFAOYSA-N 0 0 505.640 4.998 50 0 KJAARN COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)N5CC[NH+](C6CCCCC6)CC5)cc4)c3=O)c2c1 ZINC000020131609 553591632 /nfs/dbraw/zinc/59/16/32/553591632.db2.gz FVQVBOQRBUOBGS-UHFFFAOYSA-N 0 0 531.682 4.688 50 0 KJAARN COc1ccc(-c2noc(-c3cc4ccccc4o/c3=N\NS(=O)(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000020131711 553591620 /nfs/dbraw/zinc/59/16/20/553591620.db2.gz MRVITQFGMWDNTN-SGEDCAFJSA-N 0 0 502.552 4.569 50 0 KJAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4cc(Cl)c(OC)cc4OC)CC3)N=C2SC)cc1 ZINC000020132485 553591963 /nfs/dbraw/zinc/59/19/63/553591963.db2.gz PSMJNEOGDQGEJX-UHFFFAOYSA-N 0 0 503.024 4.954 50 0 KJAARN CCc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCN(C(C)=O)C4)cc1 ZINC000020132536 553592002 /nfs/dbraw/zinc/59/20/02/553592002.db2.gz CDGREXBZTTUKOK-UHFFFAOYSA-N 0 0 518.664 4.645 50 0 KJAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2cc(Br)ccc2OC(F)F)c(C)c1 ZINC000020133810 553592270 /nfs/dbraw/zinc/59/22/70/553592270.db2.gz RVFPWBRFMILEIZ-GOSISDBHSA-N 0 0 505.323 4.581 50 0 KJAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cc(Br)ccc2OC(F)F)c(C)c1 ZINC000020133813 553592357 /nfs/dbraw/zinc/59/23/57/553592357.db2.gz RVFPWBRFMILEIZ-SFHVURJKSA-N 0 0 505.323 4.581 50 0 KJAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000020133834 553592532 /nfs/dbraw/zinc/59/25/32/553592532.db2.gz YNRDYFKOUVWKGU-GOSISDBHSA-N 0 0 506.307 4.578 50 0 KJAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)ccc1OC(F)F ZINC000020133837 553592506 /nfs/dbraw/zinc/59/25/06/553592506.db2.gz YNRDYFKOUVWKGU-SFHVURJKSA-N 0 0 506.307 4.578 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000020134600 553592992 /nfs/dbraw/zinc/59/29/92/553592992.db2.gz OWBZUMGMCUJAGB-LOSJGSFVSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000020134603 553592980 /nfs/dbraw/zinc/59/29/80/553592980.db2.gz OWBZUMGMCUJAGB-JWQCQUIFSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000020134606 553592948 /nfs/dbraw/zinc/59/29/48/553592948.db2.gz OWBZUMGMCUJAGB-DQEYMECFSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000020134609 553592975 /nfs/dbraw/zinc/59/29/75/553592975.db2.gz OWBZUMGMCUJAGB-RPBOFIJWSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2OC)nc1O ZINC000020134651 553592940 /nfs/dbraw/zinc/59/29/40/553592940.db2.gz CVEIITPZOIKSHL-RDGATRHJSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2OC)nc1O ZINC000020134654 553592986 /nfs/dbraw/zinc/59/29/86/553592986.db2.gz CVEIITPZOIKSHL-RCZVLFRGSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2OC)nc1O ZINC000020134657 553592863 /nfs/dbraw/zinc/59/28/63/553592863.db2.gz CVEIITPZOIKSHL-DHLKQENFSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2OC)nc1O ZINC000020134661 553592886 /nfs/dbraw/zinc/59/28/86/553592886.db2.gz CVEIITPZOIKSHL-WIOPSUGQSA-N 0 0 514.607 4.882 50 0 KJAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)cc12 ZINC000020137964 553593890 /nfs/dbraw/zinc/59/38/90/553593890.db2.gz RCADLAJUIIWTGJ-UHFFFAOYSA-N 0 0 513.686 4.843 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCC(=O)Nc2ccc3nc(N4C[C@H](C)C[C@@H](C)C4)cc(C)c3c2)C1 ZINC000020138736 553594390 /nfs/dbraw/zinc/59/43/90/553594390.db2.gz WROYMLSXXYBBPE-KCZVDYSFSA-N 0 0 508.663 4.546 50 0 KJAARN COCc1c(C(=O)NCC2(N3CCOCC3)CCCCCC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000020149337 553594669 /nfs/dbraw/zinc/59/46/69/553594669.db2.gz KWLWUQZUHNXMMQ-UHFFFAOYSA-N 0 0 531.697 4.660 50 0 KJAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2CC(=O)NCCC1=CCCCC1 ZINC000020151733 553596049 /nfs/dbraw/zinc/59/60/49/553596049.db2.gz LXBZQMSMIGGMIE-UHFFFAOYSA-N 0 0 505.562 4.856 50 0 KJAARN CCOc1ccccc1NC(=O)Cn1c2sc(C)c(C)c2c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000020151756 553596071 /nfs/dbraw/zinc/59/60/71/553596071.db2.gz RPJARKKRHQKJGK-UHFFFAOYSA-N 0 0 517.529 4.887 50 0 KJAARN CC[C@@H](SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1 ZINC000020151937 553596177 /nfs/dbraw/zinc/59/61/77/553596177.db2.gz LJHRBAVHLHSELZ-UAPYWLNTSA-N 0 0 514.047 4.771 50 0 KJAARN CC[C@H](SC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1 ZINC000020151939 553596163 /nfs/dbraw/zinc/59/61/63/553596163.db2.gz LJHRBAVHLHSELZ-AMCKHAKVSA-N 0 0 514.047 4.771 50 0 KJAARN CC[C@@H](SC1=N/C(=C\c2ccccc2C)C(=O)N1c1ccc(OC)c(Cl)c1)C(=O)N1CCOCC1 ZINC000020151967 553596172 /nfs/dbraw/zinc/59/61/72/553596172.db2.gz HUBOOWZYAUXCPR-FQWPPLDYSA-N 0 0 514.047 4.771 50 0 KJAARN CC[C@H](SC1=N/C(=C\c2ccccc2C)C(=O)N1c1ccc(OC)c(Cl)c1)C(=O)N1CCOCC1 ZINC000020151969 553596278 /nfs/dbraw/zinc/59/62/78/553596278.db2.gz HUBOOWZYAUXCPR-RNHBDSLOSA-N 0 0 514.047 4.771 50 0 KJAARN CC[C@@H](SC1=N/C(=C\c2cccc(C)c2)C(=O)N1c1ccc(OC)c(Cl)c1)C(=O)N1CCOCC1 ZINC000020151982 553596181 /nfs/dbraw/zinc/59/61/81/553596181.db2.gz MQDLJARCUOLCHK-FQWPPLDYSA-N 0 0 514.047 4.771 50 0 KJAARN CC[C@H](SC1=N/C(=C\c2cccc(C)c2)C(=O)N1c1ccc(OC)c(Cl)c1)C(=O)N1CCOCC1 ZINC000020151985 553596241 /nfs/dbraw/zinc/59/62/41/553596241.db2.gz MQDLJARCUOLCHK-RNHBDSLOSA-N 0 0 514.047 4.771 50 0 KJAARN CC[C@@H](SC1=N/C(=C\c2ccsc2)C(=O)N1c1ccc(OC)c(Cl)c1)C(=O)N1CCOCC1 ZINC000020151996 553596291 /nfs/dbraw/zinc/59/62/91/553596291.db2.gz ANLILTVXLCTCBN-JKALPCAWSA-N 0 0 506.049 4.524 50 0 KJAARN CC[C@H](SC1=N/C(=C\c2ccsc2)C(=O)N1c1ccc(OC)c(Cl)c1)C(=O)N1CCOCC1 ZINC000020151998 553596269 /nfs/dbraw/zinc/59/62/69/553596269.db2.gz ANLILTVXLCTCBN-SQWSFHKJSA-N 0 0 506.049 4.524 50 0 KJAARN CCOC(=O)CSC1=N/C(=C/c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000020152148 553596204 /nfs/dbraw/zinc/59/62/04/553596204.db2.gz YSZFGKGPWFTCRN-WOJGMQOQSA-N 0 0 504.992 4.796 50 0 KJAARN Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000020152417 553596575 /nfs/dbraw/zinc/59/65/75/553596575.db2.gz LNROEWUCGUXQRA-SANMLTNESA-N 0 0 509.071 4.889 50 0 KJAARN Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000020152419 553596589 /nfs/dbraw/zinc/59/65/89/553596589.db2.gz LNROEWUCGUXQRA-AREMUKBSSA-N 0 0 509.071 4.889 50 0 KJAARN Cc1cc(C)c(Cn2c3ccccc3c(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)c2=O)c(C)c1 ZINC000020152815 553596852 /nfs/dbraw/zinc/59/68/52/553596852.db2.gz CHAWLIQMYKQYME-UHFFFAOYSA-N 0 0 507.634 4.843 50 0 KJAARN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c3ccccc3C(=O)N1CC2 ZINC000020153434 553598338 /nfs/dbraw/zinc/59/83/38/553598338.db2.gz HOGBFUJDTVDAKK-MYFQQKMJSA-N 0 0 525.649 4.586 50 0 KJAARN CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000020154398 553598649 /nfs/dbraw/zinc/59/86/49/553598649.db2.gz XQJNRHCLXFTFFL-QGZVFWFLSA-N 0 0 511.488 4.761 50 0 KJAARN CSc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000020154400 553598668 /nfs/dbraw/zinc/59/86/68/553598668.db2.gz XQJNRHCLXFTFFL-KRWDZBQOSA-N 0 0 511.488 4.761 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)Nc3cc(OC)ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000020155379 553599202 /nfs/dbraw/zinc/59/92/02/553599202.db2.gz HYPVYHINZQUZLK-WUFINQPMSA-N 0 0 516.594 4.977 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)Nc3cc(OC)ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000020155381 553599162 /nfs/dbraw/zinc/59/91/62/553599162.db2.gz HYPVYHINZQUZLK-NSOVKSMOSA-N 0 0 516.594 4.977 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)Nc3cc(OC)ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000020155383 553599174 /nfs/dbraw/zinc/59/91/74/553599174.db2.gz HYPVYHINZQUZLK-VSGBNLITSA-N 0 0 516.594 4.977 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)Nc3cc(OC)ccc3OC)c3ccccc3C(=O)N1CC2 ZINC000020155386 553599181 /nfs/dbraw/zinc/59/91/81/553599181.db2.gz HYPVYHINZQUZLK-IZLXSDGUSA-N 0 0 516.594 4.977 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3C(=O)N1CC2 ZINC000020155395 553599159 /nfs/dbraw/zinc/59/91/59/553599159.db2.gz YXNNVMHVDBKVKS-RRPNLBNLSA-N 0 0 500.551 4.688 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3C(=O)N1CC2 ZINC000020155397 553599219 /nfs/dbraw/zinc/59/92/19/553599219.db2.gz YXNNVMHVDBKVKS-SVBPBHIXSA-N 0 0 500.551 4.688 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3C(=O)N1CC2 ZINC000020155399 553599157 /nfs/dbraw/zinc/59/91/57/553599157.db2.gz YXNNVMHVDBKVKS-KAYWLYCHSA-N 0 0 500.551 4.688 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3C(=O)N1CC2 ZINC000020155401 553599192 /nfs/dbraw/zinc/59/91/92/553599192.db2.gz YXNNVMHVDBKVKS-SXOMAYOGSA-N 0 0 500.551 4.688 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCc3ccc(OC)cc3)c3ccccc3C(=O)N1CC2 ZINC000020155549 553599749 /nfs/dbraw/zinc/59/97/49/553599749.db2.gz ROAFAOHRBLRUKE-WUFINQPMSA-N 0 0 500.595 4.646 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCc3ccc(OC)cc3)c3ccccc3C(=O)N1CC2 ZINC000020155551 553599723 /nfs/dbraw/zinc/59/97/23/553599723.db2.gz ROAFAOHRBLRUKE-NSOVKSMOSA-N 0 0 500.595 4.646 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCc3ccc(OC)cc3)c3ccccc3C(=O)N1CC2 ZINC000020155553 553599719 /nfs/dbraw/zinc/59/97/19/553599719.db2.gz ROAFAOHRBLRUKE-VSGBNLITSA-N 0 0 500.595 4.646 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCc3ccc(OC)cc3OC)c3ccccc3C(=O)N1CC2 ZINC000020155606 553599737 /nfs/dbraw/zinc/59/97/37/553599737.db2.gz SHGKLIVJVNTLPY-FQLXRVMXSA-N 0 0 530.621 4.654 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCc3cccc(OC)c3)c3ccccc3C(=O)N1CC2 ZINC000020155608 553599779 /nfs/dbraw/zinc/59/97/79/553599779.db2.gz UHNYEIJGUUOVCZ-VSGBNLITSA-N 0 0 500.595 4.646 50 0 KJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020156447 553600087 /nfs/dbraw/zinc/60/00/87/553600087.db2.gz HWKQNGJBUIGPDS-UHFFFAOYSA-N 0 0 519.048 4.605 50 0 KJAARN NC(=O)c1c2c(sc1NC(=O)CCCCC(=O)Nc1sc3c(c1C(N)=O)CCCCC3)CCCCC2 ZINC000020160680 553600683 /nfs/dbraw/zinc/60/06/83/553600683.db2.gz SMAORGFZRZYURZ-UHFFFAOYSA-N 0 0 530.716 4.683 50 0 KJAARN CC(=O)N[C@@H](Cc1ccc(OC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)cc1)C(C)=O ZINC000020161498 553600677 /nfs/dbraw/zinc/60/06/77/553600677.db2.gz CJYUGBFLCDWDSE-SANMLTNESA-N 0 0 513.619 4.873 50 0 KJAARN CC(=O)N[C@H](Cc1ccc(OC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)cc1)C(C)=O ZINC000020161500 553600702 /nfs/dbraw/zinc/60/07/02/553600702.db2.gz CJYUGBFLCDWDSE-AREMUKBSSA-N 0 0 513.619 4.873 50 0 KJAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)Cn3nc(C)c(C(C)=O)c3C)cc21 ZINC000020168214 553600953 /nfs/dbraw/zinc/60/09/53/553600953.db2.gz RCPDFBKMJFHDFS-QHCPKHFHSA-N 0 0 503.599 4.631 50 0 KJAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)Cn3nc(C)c(C(C)=O)c3C)cc21 ZINC000020168216 553600977 /nfs/dbraw/zinc/60/09/77/553600977.db2.gz RCPDFBKMJFHDFS-HSZRJFAPSA-N 0 0 503.599 4.631 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2sccc2C)cc1 ZINC000020168883 553601335 /nfs/dbraw/zinc/60/13/35/553601335.db2.gz BENGBABUYRNXIX-QFIPXVFZSA-N 0 0 523.586 4.781 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2sccc2C)cc1 ZINC000020168884 553601667 /nfs/dbraw/zinc/60/16/67/553601667.db2.gz BENGBABUYRNXIX-JOCHJYFZSA-N 0 0 523.586 4.781 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000020168893 553601664 /nfs/dbraw/zinc/60/16/64/553601664.db2.gz LAPGANUJGQQXPP-VWLOTQADSA-N 0 0 515.566 4.547 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000020168894 553601802 /nfs/dbraw/zinc/60/18/02/553601802.db2.gz LAPGANUJGQQXPP-RUZDIDTESA-N 0 0 515.566 4.547 50 0 KJAARN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1SCC(=O)NCc1ccco1 ZINC000020171578 553602162 /nfs/dbraw/zinc/60/21/62/553602162.db2.gz REHUQQVGVIQOPC-UHFFFAOYSA-N 0 0 509.657 4.693 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000020176672 553602491 /nfs/dbraw/zinc/60/24/91/553602491.db2.gz YKALKDLUSUZKNO-DEOSSOPVSA-N 0 0 517.582 4.511 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000020176674 553602464 /nfs/dbraw/zinc/60/24/64/553602464.db2.gz YKALKDLUSUZKNO-XMMPIXPASA-N 0 0 517.582 4.511 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000020176676 553602415 /nfs/dbraw/zinc/60/24/15/553602415.db2.gz CDAYUJSNOXRHGL-VWLOTQADSA-N 0 0 505.546 4.642 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000020176678 553602477 /nfs/dbraw/zinc/60/24/77/553602477.db2.gz CDAYUJSNOXRHGL-RUZDIDTESA-N 0 0 505.546 4.642 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000020176680 553602500 /nfs/dbraw/zinc/60/25/00/553602500.db2.gz GFRJXFNSXUJDNI-SANMLTNESA-N 0 0 517.582 4.511 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000020176682 553602502 /nfs/dbraw/zinc/60/25/02/553602502.db2.gz GFRJXFNSXUJDNI-AREMUKBSSA-N 0 0 517.582 4.511 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000020176688 553602402 /nfs/dbraw/zinc/60/24/02/553602402.db2.gz BSQYFMIILLNTDZ-DEOSSOPVSA-N 0 0 517.582 4.777 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000020176690 553602482 /nfs/dbraw/zinc/60/24/82/553602482.db2.gz BSQYFMIILLNTDZ-XMMPIXPASA-N 0 0 517.582 4.777 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000020176692 553602400 /nfs/dbraw/zinc/60/24/00/553602400.db2.gz XGTHLESOTDWOQX-DEOSSOPVSA-N 0 0 517.582 4.777 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000020176694 553602397 /nfs/dbraw/zinc/60/23/97/553602397.db2.gz XGTHLESOTDWOQX-XMMPIXPASA-N 0 0 517.582 4.777 50 0 KJAARN O=C(c1ccccc1)c1ccc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3nncn3c2c1 ZINC000020177271 553602713 /nfs/dbraw/zinc/60/27/13/553602713.db2.gz OFZBUHDZZDSAAF-UHFFFAOYSA-N 0 0 502.500 4.854 50 0 KJAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 ZINC000020177579 553602674 /nfs/dbraw/zinc/60/26/74/553602674.db2.gz OYMKFCHJOMTNJN-UHFFFAOYSA-N 0 0 530.698 4.991 50 0 KJAARN O=C(NCCCN1CCCC1=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179247 553603087 /nfs/dbraw/zinc/60/30/87/553603087.db2.gz WJMVYBJFJHWDGL-DIBXZPPDSA-N 0 0 513.569 4.535 50 0 KJAARN O=C(c1ccc(/C=C2\Oc3ccccc3N(Cc3cccc(F)c3)C2=O)cc1)N1CCC2(CC1)OCCO2 ZINC000020179376 553603055 /nfs/dbraw/zinc/60/30/55/553603055.db2.gz VDFUVSWDXZZUJW-DIBXZPPDSA-N 0 0 514.553 4.772 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccccc5OC)CC4)cc3N(C)C2=O)cc1 ZINC000020179581 553603410 /nfs/dbraw/zinc/60/34/10/553603410.db2.gz ARKHWIRUDLZCQO-IMRQLAEWSA-N 0 0 515.635 4.776 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3N(C)C2=O)cc1 ZINC000020179599 553603350 /nfs/dbraw/zinc/60/33/50/553603350.db2.gz CPYLWAISCXXGQS-QQXSKIMKSA-N 0 0 504.608 4.795 50 0 biogenic KJAARN COc1ccccc1/C=C1\Sc2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2N(C)C1=O ZINC000020179660 553603538 /nfs/dbraw/zinc/60/35/38/553603538.db2.gz OJOUFQPKHLPSRT-DIBXZPPDSA-N 0 0 515.635 4.776 50 0 KJAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2N(C)C1=O ZINC000020179705 553603648 /nfs/dbraw/zinc/60/36/48/553603648.db2.gz CJLSSYFGGDCHCT-YZSQISJMSA-N 0 0 504.608 4.795 50 0 biogenic KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2cccc(Cl)c2)S3)CC1 ZINC000020179809 553603643 /nfs/dbraw/zinc/60/36/43/553603643.db2.gz VRONNQOJBYXQJD-HMAPJEAMSA-N 0 0 500.020 4.800 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3N(C)C2=O)cc1OC ZINC000020180162 553603953 /nfs/dbraw/zinc/60/39/53/553603953.db2.gz ZBVPAEZWKPBZGY-IMRQLAEWSA-N 0 0 515.635 4.776 50 0 KJAARN CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000020180304 553604004 /nfs/dbraw/zinc/60/40/04/553604004.db2.gz FFEVXTLZKWCPFC-KQWNVCNZSA-N 0 0 507.999 4.641 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2Cl)S3)CC1 ZINC000020180310 553604017 /nfs/dbraw/zinc/60/40/17/553604017.db2.gz ULIZTAMQRGSGQG-JCMHNJIXSA-N 0 0 500.020 4.800 50 0 KJAARN COc1cccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)c1 ZINC000020180414 553604029 /nfs/dbraw/zinc/60/40/29/553604029.db2.gz UXMAKDDRIJUKFB-ONUIUJJFSA-N 0 0 503.599 4.906 50 0 KJAARN COc1cccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3N(C)C2=O)c1 ZINC000020180418 553604278 /nfs/dbraw/zinc/60/42/78/553604278.db2.gz LEHURHWWUSXPFU-ONUIUJJFSA-N 0 0 503.599 4.906 50 0 KJAARN COc1cccc(/C=C2\Sc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3N(C)C2=O)c1 ZINC000020180434 553604205 /nfs/dbraw/zinc/60/42/05/553604205.db2.gz AATAAPYDZJEGGX-QQXSKIMKSA-N 0 0 504.608 4.795 50 0 biogenic KJAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)S3)CC1 ZINC000020180483 553604264 /nfs/dbraw/zinc/60/42/64/553604264.db2.gz VJAGBUWPUASBLK-STZFKDTASA-N 0 0 519.545 4.729 50 0 KJAARN CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)ccc21 ZINC000020181955 553604561 /nfs/dbraw/zinc/60/45/61/553604561.db2.gz KGKQWECNDPEVIH-NDEPHWFRSA-N 0 0 524.086 4.735 50 0 KJAARN CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)ccc21 ZINC000020181957 553604630 /nfs/dbraw/zinc/60/46/30/553604630.db2.gz KGKQWECNDPEVIH-MUUNZHRXSA-N 0 0 524.086 4.735 50 0 KJAARN Cc1ccc(CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000020182488 553604861 /nfs/dbraw/zinc/60/48/61/553604861.db2.gz XSWFZIAZCGBOQL-SANMLTNESA-N 0 0 523.662 4.626 50 0 KJAARN Cc1ccc(CSC2=Nc3ccccc3C3=N[C@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000020182491 553604876 /nfs/dbraw/zinc/60/48/76/553604876.db2.gz XSWFZIAZCGBOQL-AREMUKBSSA-N 0 0 523.662 4.626 50 0 KJAARN Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCCN3CCN(c4ccccc4F)CC3)cc12 ZINC000020183149 553604852 /nfs/dbraw/zinc/60/48/52/553604852.db2.gz OOBKIOSZTBHRDL-UHFFFAOYSA-N 0 0 506.695 4.781 50 0 KJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12 ZINC000020183198 553604895 /nfs/dbraw/zinc/60/48/95/553604895.db2.gz NCWARSKIYMPGCI-UHFFFAOYSA-N 0 0 515.605 4.918 50 0 KJAARN COc1ccc(Br)cc1CNC(=S)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 ZINC000020183222 553604971 /nfs/dbraw/zinc/60/49/71/553604971.db2.gz UUZCOKNNVANVPP-UHFFFAOYSA-N 0 0 501.450 4.638 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc(C)c3)[C@@H](C)C1)[C@H]1c3ccccc3CCN1C2=O ZINC000020208991 553609810 /nfs/dbraw/zinc/60/98/10/553609810.db2.gz KVZIIHZSDPWGNK-MYFQQKMJSA-N 0 0 525.649 4.586 50 0 KJAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C[C@@H]1C ZINC000020209378 553610139 /nfs/dbraw/zinc/61/01/39/553610139.db2.gz CERVAEQAWWCCCU-ZDUSSCGKSA-N 0 0 502.942 4.849 50 0 KJAARN CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C[C@H]1C ZINC000020209381 553610197 /nfs/dbraw/zinc/61/01/97/553610197.db2.gz CERVAEQAWWCCCU-CYBMUJFWSA-N 0 0 502.942 4.849 50 0 KJAARN O=C(c1cccn2c(=O)c3c4c(sc3nc12)CCCC4)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020209989 553610317 /nfs/dbraw/zinc/61/03/17/553610317.db2.gz XVOUUWVPXIQFOX-UHFFFAOYSA-N 0 0 512.557 4.769 50 0 KJAARN CCOc1cccc(-c2cc(C(=O)Nc3cnn(CC)c3C(N)=O)c3cc(Br)ccc3n2)c1 ZINC000020214037 553612643 /nfs/dbraw/zinc/61/26/43/553612643.db2.gz GICOGDNXEMTKRQ-UHFFFAOYSA-N 0 0 508.376 4.631 50 0 KJAARN CCn1cc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)c(C(=O)NC2CCCC2)n1 ZINC000020215241 553613800 /nfs/dbraw/zinc/61/38/00/553613800.db2.gz BNQZMLWOAGIGDQ-UHFFFAOYSA-N 0 0 511.582 4.814 50 0 KJAARN CCn1cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c(C(=O)NCCOC)n1 ZINC000020215268 553613757 /nfs/dbraw/zinc/61/37/57/553613757.db2.gz LVOFESDQXYFFNC-UHFFFAOYSA-N 0 0 522.403 4.509 50 0 KJAARN Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)cc1 ZINC000020215970 553614101 /nfs/dbraw/zinc/61/41/01/553614101.db2.gz FBLMSQAGIYBQOK-UHFFFAOYSA-N 0 0 500.930 4.841 50 0 KJAARN COc1cc2nc(=S)n3nc(C4CCN(C(=O)c5cc(F)c(Cl)cc5F)CC4)[nH]c3c2cc1OC ZINC000020216165 553614029 /nfs/dbraw/zinc/61/40/29/553614029.db2.gz KDCFHZRUGRFWDN-UHFFFAOYSA-N 0 0 519.961 4.535 50 0 KJAARN CCOC(=O)C[C@@H](NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2)c1ccc(OCC)c(OC)c1 ZINC000020216289 553614078 /nfs/dbraw/zinc/61/40/78/553614078.db2.gz WXZYOQAHHKAKPF-HSZRJFAPSA-N 0 0 508.615 4.807 50 0 KJAARN CCOC(=O)C[C@H](NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2)c1ccc(OCC)c(OC)c1 ZINC000020216291 553614060 /nfs/dbraw/zinc/61/40/60/553614060.db2.gz WXZYOQAHHKAKPF-QHCPKHFHSA-N 0 0 508.615 4.807 50 0 KJAARN O=C1C2=CN=C(c3ccc(Cl)cc3)S[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020218554 553614430 /nfs/dbraw/zinc/61/44/30/553614430.db2.gz LZUICYZFXYYNDQ-OAHLLOKOSA-N 0 0 501.317 4.634 50 0 KJAARN O=C1C2=CN=C(c3ccc(Cl)cc3)S[C@@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020218555 553614433 /nfs/dbraw/zinc/61/44/33/553614433.db2.gz LZUICYZFXYYNDQ-HNNXBMFYSA-N 0 0 501.317 4.634 50 0 KJAARN O=C([C@H]1CC(c2c(Cl)cccc2Cl)=NO1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020218607 553614313 /nfs/dbraw/zinc/61/43/13/553614313.db2.gz MKKARSMKFKMISE-MRXNPFEDSA-N 0 0 507.727 4.902 50 0 KJAARN COC(=O)c1sc2cc(NC(=S)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1Cl ZINC000020220586 553616102 /nfs/dbraw/zinc/61/61/02/553616102.db2.gz HRXBOPZMPYRTOG-UHFFFAOYSA-N 0 0 504.033 4.585 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc3n(Cc3ccccc3C)c2=O)cc1 ZINC000020237132 553623524 /nfs/dbraw/zinc/62/35/24/553623524.db2.gz RLQYLRQORVJDKA-UHFFFAOYSA-N 0 0 519.601 4.756 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc3n(Cc3ccccc3F)c2=O)cc1 ZINC000020237135 553623830 /nfs/dbraw/zinc/62/38/30/553623830.db2.gz SPINZVYKDXSBQG-UHFFFAOYSA-N 0 0 523.564 4.587 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000020237137 553623773 /nfs/dbraw/zinc/62/37/73/553623773.db2.gz QPULLKWLUOOYFH-UHFFFAOYSA-N 0 0 523.564 4.587 50 0 KJAARN COc1ccccc1NC(=O)c1cc2cc3c4c(c2o/c1=N\c1ccc(C(N)=O)cc1)CCCN4CCC3 ZINC000020237179 553623820 /nfs/dbraw/zinc/62/38/20/553623820.db2.gz XUAGWKGHMPBXQK-GCUVURNUSA-N 0 0 508.578 4.724 50 0 KJAARN COc1ccccc1NC(=O)c1cc2cc3c4c(c2o/c1=N\c1cccc(C(N)=O)c1)CCCN4CCC3 ZINC000020237182 553623776 /nfs/dbraw/zinc/62/37/76/553623776.db2.gz LREVXHBGJTWZAH-GCUVURNUSA-N 0 0 508.578 4.724 50 0 KJAARN COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 ZINC000020239342 553624874 /nfs/dbraw/zinc/62/48/74/553624874.db2.gz SQKZRUZAVSXTCA-QINSGFPZSA-N 0 0 515.676 4.792 50 0 KJAARN CCCCN(CCCC)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1 ZINC000020239349 553624833 /nfs/dbraw/zinc/62/48/33/553624833.db2.gz CGZCMXWIJNJIRU-KAMYIIQDSA-N 0 0 517.692 4.992 50 0 KJAARN COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000020239361 553624829 /nfs/dbraw/zinc/62/48/29/553624829.db2.gz SPLLUEVRFHJXPY-XFXZXTDPSA-N 0 0 509.628 4.818 50 0 KJAARN COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000020239401 553625101 /nfs/dbraw/zinc/62/51/01/553625101.db2.gz MVJSEMCDBUDBFD-JWHYYVAWSA-N 0 0 515.676 4.504 50 0 KJAARN COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000020239408 553625173 /nfs/dbraw/zinc/62/51/73/553625173.db2.gz MVJSEMCDBUDBFD-XLLKDPGOSA-N 0 0 515.676 4.504 50 0 KJAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3cccs3)CC2)c1 ZINC000020239475 553625276 /nfs/dbraw/zinc/62/52/76/553625276.db2.gz POFDFAAHMYMPHD-CMDGGOBGSA-N 0 0 503.671 4.976 50 0 KJAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(cccc3C)s2)CC1 ZINC000020239504 553625355 /nfs/dbraw/zinc/62/53/55/553625355.db2.gz CPRPTZLHZJJWQP-CMDGGOBGSA-N 0 0 512.613 4.704 50 0 KJAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000020239647 553625563 /nfs/dbraw/zinc/62/55/63/553625563.db2.gz CPZUIYYQAIBBNY-CMDGGOBGSA-N 0 0 509.506 4.805 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000020239985 553626170 /nfs/dbraw/zinc/62/61/70/553626170.db2.gz JKQRCCAEFDBKLK-UHFFFAOYSA-N 0 0 516.929 4.541 50 0 KJAARN CCOc1ccc2nc(NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3c(C)noc3C)sc2c1 ZINC000020240118 553626220 /nfs/dbraw/zinc/62/62/20/553626220.db2.gz ITWCEAIJUOSDPP-UHFFFAOYSA-N 0 0 514.629 4.751 50 0 KJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCC(Cc3ccccc3)CC1)cn2C ZINC000020240308 553626426 /nfs/dbraw/zinc/62/64/26/553626426.db2.gz LEQBESFJQBJKOT-UHFFFAOYSA-N 0 0 535.710 4.587 50 0 KJAARN CCn1cc(C(=O)NC2CCCCCCC2)c(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc21 ZINC000020240440 553626326 /nfs/dbraw/zinc/62/63/26/553626326.db2.gz HOLUETFEDPNFBJ-PMACEKPBSA-N 0 0 501.693 4.531 50 0 KJAARN CCOc1ccc(CCNC(=O)C[S@@](=O)Cc2nc(-c3ccc(Cl)cc3)oc2C)cc1OCC ZINC000020241592 553626782 /nfs/dbraw/zinc/62/67/82/553626782.db2.gz XXRSIJFBXIBPND-UUWRZZSWSA-N 0 0 505.036 4.708 50 0 KJAARN CCOc1ccc(CCNC(=O)C[S@](=O)Cc2nc(-c3ccc(Cl)cc3)oc2C)cc1OCC ZINC000020241594 553626768 /nfs/dbraw/zinc/62/67/68/553626768.db2.gz XXRSIJFBXIBPND-UMSFTDKQSA-N 0 0 505.036 4.708 50 0 KJAARN CCOC(CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O)OCC ZINC000020242235 553627060 /nfs/dbraw/zinc/62/70/60/553627060.db2.gz WOWXSBVSYXDQNX-PSXMRANNSA-N 0 0 527.042 4.796 50 0 KJAARN CCOC(CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O)OCC ZINC000020242237 553627055 /nfs/dbraw/zinc/62/70/55/553627055.db2.gz WOWXSBVSYXDQNX-BHVANESWSA-N 0 0 527.042 4.796 50 0 KJAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)N(CC)C(=O)c2ccccc2[S@@]3=O)cc1OCC ZINC000020242907 553628080 /nfs/dbraw/zinc/62/80/80/553628080.db2.gz HWUVFTHXUFXQDG-PSXMRANNSA-N 0 0 506.624 4.603 50 0 KJAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)N(CC)C(=O)c2ccccc2[S@]3=O)cc1OCC ZINC000020242909 553628144 /nfs/dbraw/zinc/62/81/44/553628144.db2.gz HWUVFTHXUFXQDG-BHVANESWSA-N 0 0 506.624 4.603 50 0 KJAARN Cc1cccc(CN2c3cc(C(=O)NCc4cccs4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243037 553628147 /nfs/dbraw/zinc/62/81/47/553628147.db2.gz RDGKQZVOKOWAEY-UHFFFAOYSA-N 0 0 502.617 4.980 50 0 KJAARN Cc1cccc(CN2c3cc(C(=O)NCCN4CCCCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243039 553628076 /nfs/dbraw/zinc/62/80/76/553628076.db2.gz YPIJQQZFMMSLHV-UHFFFAOYSA-N 0 0 531.678 4.594 50 0 KJAARN Cc1cccc(CN2c3cc(C(=O)NCCN4CCCC[C@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243043 553628121 /nfs/dbraw/zinc/62/81/21/553628121.db2.gz WTCCISVNQFBUIV-JOCHJYFZSA-N 0 0 531.678 4.592 50 0 KJAARN Cc1cccc(CN2c3cc(C(=O)NCCN4CCCC[C@@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243045 553628108 /nfs/dbraw/zinc/62/81/08/553628108.db2.gz WTCCISVNQFBUIV-QFIPXVFZSA-N 0 0 531.678 4.592 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243112 553628312 /nfs/dbraw/zinc/62/83/12/553628312.db2.gz MEGBPUNESNYFPY-RTBURBONSA-N 0 0 506.599 4.937 50 0 KJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243114 553628324 /nfs/dbraw/zinc/62/83/24/553628324.db2.gz MEGBPUNESNYFPY-KDURUIRLSA-N 0 0 506.599 4.937 50 0 KJAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243117 553628342 /nfs/dbraw/zinc/62/83/42/553628342.db2.gz MEGBPUNESNYFPY-OALUTQOASA-N 0 0 506.599 4.937 50 0 KJAARN O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000020243119 553628299 /nfs/dbraw/zinc/62/82/99/553628299.db2.gz JDFPLYLXSFGOPN-UHFFFAOYSA-N 0 0 500.551 4.749 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000020243135 553628305 /nfs/dbraw/zinc/62/83/05/553628305.db2.gz XWJDALYRRQESHN-UHFFFAOYSA-N 0 0 518.541 4.888 50 0 KJAARN O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000020243146 553628347 /nfs/dbraw/zinc/62/83/47/553628347.db2.gz DTRJMLLDQHSCIQ-UHFFFAOYSA-N 0 0 514.578 4.791 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243164 553628321 /nfs/dbraw/zinc/62/83/21/553628321.db2.gz SARFQNXQNOUEKR-RTBURBONSA-N 0 0 506.599 4.937 50 0 KJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243166 553628308 /nfs/dbraw/zinc/62/83/08/553628308.db2.gz SARFQNXQNOUEKR-KDURUIRLSA-N 0 0 506.599 4.937 50 0 KJAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000020243169 553628310 /nfs/dbraw/zinc/62/83/10/553628310.db2.gz SARFQNXQNOUEKR-OALUTQOASA-N 0 0 506.599 4.937 50 0 KJAARN O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243173 553628353 /nfs/dbraw/zinc/62/83/53/553628353.db2.gz JWTBLAVRBGRKQU-UHFFFAOYSA-N 0 0 500.551 4.749 50 0 KJAARN Cc1ccc(C)c(CN2c3cc(C(=O)NCc4ccco4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243228 553628623 /nfs/dbraw/zinc/62/86/23/553628623.db2.gz MXNINDBGYOVYFG-UHFFFAOYSA-N 0 0 500.576 4.820 50 0 KJAARN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O ZINC000020243250 553628575 /nfs/dbraw/zinc/62/85/75/553628575.db2.gz LAVANMOSANURBM-XMMPIXPASA-N 0 0 531.678 4.511 50 0 KJAARN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O ZINC000020243252 553628646 /nfs/dbraw/zinc/62/86/46/553628646.db2.gz LAVANMOSANURBM-DEOSSOPVSA-N 0 0 531.678 4.511 50 0 KJAARN Cc1ccc(C)c(CN2c3cc(C(=O)NCCCOC(C)C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243266 553628658 /nfs/dbraw/zinc/62/86/58/553628658.db2.gz RARNDTLFKZJVFL-UHFFFAOYSA-N 0 0 520.651 4.842 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)N1CCc2ccccc2C1 ZINC000020243284 553628583 /nfs/dbraw/zinc/62/85/83/553628583.db2.gz PKBBHGLJDMEMAH-UHFFFAOYSA-N 0 0 508.599 4.878 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243322 553628636 /nfs/dbraw/zinc/62/86/36/553628636.db2.gz AUYYFUCEXGDYLN-UHFFFAOYSA-N 0 0 512.587 4.618 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243324 553628645 /nfs/dbraw/zinc/62/86/45/553628645.db2.gz KODKQAGQEVXQPR-UHFFFAOYSA-N 0 0 500.551 4.749 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(c2nc(-c3csc4ccccc34)ccc2C(=O)N(C)Cc2nonc2C)C1 ZINC000020254930 553629468 /nfs/dbraw/zinc/62/94/68/553629468.db2.gz BMDQKKSLDHTUJN-GOSISDBHSA-N 0 0 519.627 4.706 50 0 KJAARN CCOC(=O)[C@H]1CCCN(c2nc(-c3csc4ccccc34)ccc2C(=O)N(C)Cc2nonc2C)C1 ZINC000020254933 553629441 /nfs/dbraw/zinc/62/94/41/553629441.db2.gz BMDQKKSLDHTUJN-SFHVURJKSA-N 0 0 519.627 4.706 50 0 KJAARN O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(CCc1ccccc1)N2 ZINC000020267788 553630561 /nfs/dbraw/zinc/63/05/61/553630561.db2.gz GJZHTKBHKLONJY-UHFFFAOYSA-N 0 0 510.438 4.556 50 0 KJAARN O=C(c1ccco1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2nc1N1CCC(O)CC1)CCC3 ZINC000020271609 1066270966 /nfs/dbraw/zinc/27/09/66/1066270966.db2.gz ODEKAPWRIRNSDX-UHFFFAOYSA-N 0 0 525.605 4.849 50 0 KJAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc(CN4CCOCC4)cc3)c2C)c1-c1ccc(F)cc1 ZINC000020282516 553631285 /nfs/dbraw/zinc/63/12/85/553631285.db2.gz MWLJHMKSCVNSHU-UHFFFAOYSA-N 0 0 501.606 4.864 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(OC)cc4OC)nn3c2C)c1 ZINC000020282773 553631691 /nfs/dbraw/zinc/63/16/91/553631691.db2.gz XVQHQMVKNGKOMF-UHFFFAOYSA-N 0 0 502.571 4.778 50 0 KJAARN O=C(NC(=S)Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccco1 ZINC000020283323 553631636 /nfs/dbraw/zinc/63/16/36/553631636.db2.gz XHMJCORMVBLEFB-UHFFFAOYSA-N 0 0 524.646 4.954 50 0 KJAARN CCOc1ccc(OCC)c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000020285497 553632182 /nfs/dbraw/zinc/63/21/82/553632182.db2.gz ZYOFUEMTTORNBU-OAQYLSRUSA-N 0 0 505.662 4.734 50 0 KJAARN COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)CC2)c(OC)c1OC ZINC000020286802 553632793 /nfs/dbraw/zinc/63/27/93/553632793.db2.gz DKEDAVOMWOLVOK-UHFFFAOYSA-N 0 0 510.034 4.751 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000020290326 553635006 /nfs/dbraw/zinc/63/50/06/553635006.db2.gz BORQXUNCBKYVHR-UHFFFAOYSA-N 0 0 520.680 4.873 50 0 KJAARN CN1CCc2c(sc3nc(SCC(=O)NCCc4ccccc4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020292766 553635374 /nfs/dbraw/zinc/63/53/74/553635374.db2.gz CGPRGPHCXZUEQN-UHFFFAOYSA-N 0 0 525.099 4.540 50 0 KJAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(C(C)C)cc1 ZINC000020322879 553638217 /nfs/dbraw/zinc/63/82/17/553638217.db2.gz RZYYDFVPVYASEZ-UHFFFAOYSA-N 0 0 519.465 4.757 50 0 KJAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(C(C)C)cc1 ZINC000020322938 553638255 /nfs/dbraw/zinc/63/82/55/553638255.db2.gz QPAPYNIRZISJME-UHFFFAOYSA-N 0 0 506.672 4.672 50 0 KJAARN COc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1Cl ZINC000020323054 553638241 /nfs/dbraw/zinc/63/82/41/553638241.db2.gz OBAFEMINGJFUHC-UHFFFAOYSA-N 0 0 505.040 4.656 50 0 KJAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1nc2ccc(C)cc2s1)c1ccc(C(C)C)cc1 ZINC000020323069 553638216 /nfs/dbraw/zinc/63/82/16/553638216.db2.gz OKKVZYVUHRZVLF-UHFFFAOYSA-N 0 0 511.673 4.912 50 0 KJAARN CSc1cccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020323628 553638197 /nfs/dbraw/zinc/63/81/97/553638197.db2.gz DANKDFUMLZJYKB-RWEWTDSWSA-N 0 0 500.001 4.855 50 0 KJAARN COc1ccc(CCN2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1OC ZINC000020324249 553638221 /nfs/dbraw/zinc/63/82/21/553638221.db2.gz RHBAUSYIQIYOMB-QHCPKHFHSA-N 0 0 505.546 4.560 50 0 KJAARN COc1ccc(CCN2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1OC ZINC000020324255 553638204 /nfs/dbraw/zinc/63/82/04/553638204.db2.gz RHBAUSYIQIYOMB-HSZRJFAPSA-N 0 0 505.546 4.560 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000020324327 553638604 /nfs/dbraw/zinc/63/86/04/553638604.db2.gz FBZJHYUOZWBQQZ-UHFFFAOYSA-N 0 0 506.653 4.565 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000020325311 553638876 /nfs/dbraw/zinc/63/88/76/553638876.db2.gz UMLWNFAIJCMAPB-UHFFFAOYSA-N 0 0 520.680 4.873 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000020326618 553638809 /nfs/dbraw/zinc/63/88/09/553638809.db2.gz ZDIKFQOPSAAACD-UHFFFAOYSA-N 0 0 520.680 4.873 50 0 KJAARN Cc1sc2nc(SCc3ccc(Br)cc3)n(CCCN3CCOCC3)c(=O)c2c1C ZINC000020343367 553639959 /nfs/dbraw/zinc/63/99/59/553639959.db2.gz FYQYCKGQAMKXCD-UHFFFAOYSA-N 0 0 508.507 4.852 50 0 KJAARN Cc1sc2nc(SCc3cccc(Br)c3)n(CCCN3CCOCC3)c(=O)c2c1C ZINC000020343381 553640021 /nfs/dbraw/zinc/64/00/21/553640021.db2.gz DDFUWMCONGCENM-UHFFFAOYSA-N 0 0 508.507 4.852 50 0 KJAARN CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020347238 553639992 /nfs/dbraw/zinc/63/99/92/553639992.db2.gz DROHAIHUZXBCIA-UHFFFAOYSA-N 0 0 500.668 4.703 50 0 KJAARN CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000020352041 553639956 /nfs/dbraw/zinc/63/99/56/553639956.db2.gz TXBLFWLUMOYRCQ-VWLOTQADSA-N 0 0 527.017 4.511 50 0 KJAARN CCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000020352043 553640008 /nfs/dbraw/zinc/64/00/08/553640008.db2.gz TXBLFWLUMOYRCQ-RUZDIDTESA-N 0 0 527.017 4.511 50 0 KJAARN Cc1cc(Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)cc2)n2nc(-c3ccccc3)nc2n1 ZINC000020353117 553640320 /nfs/dbraw/zinc/64/03/20/553640320.db2.gz DOGKPNMNIGQEAL-UHFFFAOYSA-N 0 0 507.573 4.945 50 0 KJAARN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN4CCCC4=O)cc3)C2=O)c1 ZINC000020355173 553640773 /nfs/dbraw/zinc/64/07/73/553640773.db2.gz HUCAYZUVBBJPSE-VFCFBJKWSA-N 0 0 509.606 4.704 50 0 KJAARN CCOC(CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)OCC ZINC000020355198 553641046 /nfs/dbraw/zinc/64/10/46/553641046.db2.gz ZEYCUZPFEZJPHT-PSXMRANNSA-N 0 0 527.042 4.796 50 0 KJAARN CCOC(CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)OCC ZINC000020355199 553641083 /nfs/dbraw/zinc/64/10/83/553641083.db2.gz ZEYCUZPFEZJPHT-BHVANESWSA-N 0 0 527.042 4.796 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2ccc(/C=C3/Oc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1 ZINC000020355207 553641060 /nfs/dbraw/zinc/64/10/60/553641060.db2.gz ZUJLQTGBWSTVEC-VFCFBJKWSA-N 0 0 525.605 4.876 50 0 KJAARN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CCC5(CC4)OCCO5)cc3)C2=O)c1 ZINC000020355238 553641093 /nfs/dbraw/zinc/64/10/93/553641093.db2.gz YRAOQNLLVCRZRI-VFCFBJKWSA-N 0 0 510.590 4.941 50 0 KJAARN COc1ccc(Cn2c(=O)c3cccnc3nc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000020356186 553642149 /nfs/dbraw/zinc/64/21/49/553642149.db2.gz JHHXWHFVKHJESN-UHFFFAOYSA-N 0 0 500.502 4.598 50 0 KJAARN Cc1cc2c(nc(SCC(=O)Nc3ccc(Br)cc3)n(Cc3cccnc3)c2=O)s1 ZINC000020356939 553642283 /nfs/dbraw/zinc/64/22/83/553642283.db2.gz MVXVRTPIXCNFAY-UHFFFAOYSA-N 0 0 501.431 4.703 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3Cl)n2C[C@@H]2CCCO2)cc1 ZINC000020357294 553642202 /nfs/dbraw/zinc/64/22/02/553642202.db2.gz QCDLUBRMEOXEOD-IBGZPJMESA-N 0 0 503.024 4.737 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3Cl)n2C[C@H]2CCCO2)cc1 ZINC000020357295 553642132 /nfs/dbraw/zinc/64/21/32/553642132.db2.gz QCDLUBRMEOXEOD-LJQANCHMSA-N 0 0 503.024 4.737 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4s3)[C@@H]2c2ccccc2)cc1 ZINC000020368239 553643439 /nfs/dbraw/zinc/64/34/39/553643439.db2.gz BFXXCKVBNORCNS-DEOSSOPVSA-N 0 0 509.678 4.929 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4s3)[C@H]2c2ccccc2)cc1 ZINC000020368241 553643541 /nfs/dbraw/zinc/64/35/41/553643541.db2.gz BFXXCKVBNORCNS-XMMPIXPASA-N 0 0 509.678 4.929 50 0 KJAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000020382074 553643732 /nfs/dbraw/zinc/64/37/32/553643732.db2.gz MXMJUJNLLQRSQH-UHFFFAOYSA-N 0 0 503.624 4.802 50 0 KJAARN COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCN(c4ccccc4OC)CC3)c2c1 ZINC000020382141 553643792 /nfs/dbraw/zinc/64/37/92/553643792.db2.gz CSTAYHWPKYIYJX-UHFFFAOYSA-N 0 0 503.624 4.720 50 0 KJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCN(c3ccccc3F)CC2)cc1 ZINC000020382218 553643789 /nfs/dbraw/zinc/64/37/89/553643789.db2.gz FAWPYVFPFDFSNX-UHFFFAOYSA-N 0 0 507.587 4.551 50 0 KJAARN COc1ccc(Br)cc1CNC(=O)Nc1sc2nc3n(c(=O)c2c1C)C[C@H](C)CCC3 ZINC000020385491 553643819 /nfs/dbraw/zinc/64/38/19/553643819.db2.gz CWRCVAFRINMGPW-GFCCVEGCSA-N 0 0 505.438 4.832 50 0 KJAARN COc1ccc(Br)cc1CNC(=O)Nc1sc2nc3n(c(=O)c2c1C)C[C@@H](C)CCC3 ZINC000020385497 553643771 /nfs/dbraw/zinc/64/37/71/553643771.db2.gz CWRCVAFRINMGPW-LBPRGKRZSA-N 0 0 505.438 4.832 50 0 KJAARN COC(=O)c1cc(NC(=O)Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)CS3)cc(C(=O)OC)c1 ZINC000020385809 553643804 /nfs/dbraw/zinc/64/38/04/553643804.db2.gz LWFDESABDHXITO-UHFFFAOYSA-N 0 0 519.579 4.851 50 0 KJAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1CC(=O)Nc1ccc(C(=O)OCC)cc1)CCCC3 ZINC000020387642 553644066 /nfs/dbraw/zinc/64/40/66/553644066.db2.gz MYZYPRVUCHQZRP-UHFFFAOYSA-N 0 0 511.600 4.532 50 0 KJAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1CC(=O)Nc1c(F)c(F)cc(F)c1F)CCCC3 ZINC000020387678 553644005 /nfs/dbraw/zinc/64/40/05/553644005.db2.gz LTKQLXPRXQFYGA-UHFFFAOYSA-N 0 0 511.497 4.912 50 0 KJAARN COc1ccccc1CNC(=O)C1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3)s2)CC1 ZINC000020387920 553644358 /nfs/dbraw/zinc/64/43/58/553644358.db2.gz DHQZFJBGFYRTFP-UHFFFAOYSA-N 0 0 516.671 4.791 50 0 KJAARN COc1ccc(CNC(=O)C2CCN(c3nnc(-n4cccc4CNc4ccc(C)cc4)s3)CC2)cc1 ZINC000020387959 553644463 /nfs/dbraw/zinc/64/44/63/553644463.db2.gz OGPOHSTWVOKALU-UHFFFAOYSA-N 0 0 516.671 4.791 50 0 KJAARN Cc1ccccc1Cn1c2cnccc2nc1SCc1ccc(C(=O)NCCCN2CCOCC2)cc1 ZINC000020389026 553644685 /nfs/dbraw/zinc/64/46/85/553644685.db2.gz XAZWIKRXLYVSLE-UHFFFAOYSA-N 0 0 515.683 4.532 50 0 KJAARN Cc1ccc(-n2c(=O)[nH]c(=O)c3c2NC(c2cccc(Cl)c2)=NC3(C(F)(F)F)C(F)(F)F)cc1 ZINC000020391928 553645052 /nfs/dbraw/zinc/64/50/52/553645052.db2.gz UYABBXNRAIWVHN-UHFFFAOYSA-N 0 0 502.802 4.680 50 0 KJAARN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020394143 553645276 /nfs/dbraw/zinc/64/52/76/553645276.db2.gz SFACUKMWNLBLCP-UHFFFAOYSA-N 0 0 500.418 4.668 50 0 KJAARN CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(NCc2ccccn2)n1 ZINC000020394244 553645400 /nfs/dbraw/zinc/64/54/00/553645400.db2.gz NHCDOQAUQHBIBK-UHFFFAOYSA-N 0 0 508.673 4.656 50 0 KJAARN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)cc2)c1 ZINC000020411634 553646611 /nfs/dbraw/zinc/64/66/11/553646611.db2.gz OSIPJKGGFZHAOI-UHFFFAOYSA-N 0 0 503.599 4.707 50 0 KJAARN CCOC(=O)c1c(NC(=O)N2CCc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)sc2c1CCCC2 ZINC000020413918 553647377 /nfs/dbraw/zinc/64/73/77/553647377.db2.gz NBKFRQOCQHBLBA-UHFFFAOYSA-N 0 0 531.700 4.819 50 0 KJAARN COc1ccc(CN2CCN(C(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)c(OC)c1OC ZINC000020415022 553647468 /nfs/dbraw/zinc/64/74/68/553647468.db2.gz BZAUNQOQARKXFR-UHFFFAOYSA-N 0 0 524.687 4.516 50 0 KJAARN Cc1cccc(N2CCN(C(=O)c3cccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c3)CC2)c1C ZINC000020417730 553647701 /nfs/dbraw/zinc/64/77/01/553647701.db2.gz YDJLGJACMWNLJK-UHFFFAOYSA-N 0 0 510.682 4.845 50 0 KJAARN COC(=O)c1c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)sc2c1CCC2 ZINC000020418918 553648062 /nfs/dbraw/zinc/64/80/62/553648062.db2.gz GALVJSZVODVDGB-UHFFFAOYSA-N 0 0 501.655 4.942 50 0 KJAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000020421499 553648041 /nfs/dbraw/zinc/64/80/41/553648041.db2.gz JRXCBGJALZZYTJ-UHFFFAOYSA-N 0 0 505.440 4.663 50 0 KJAARN O=S(=O)(c1cccc(Br)c1)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000020421501 553647974 /nfs/dbraw/zinc/64/79/74/553647974.db2.gz WVCWMNRGBGRJPI-UHFFFAOYSA-N 0 0 500.340 4.527 50 0 KJAARN Cc1ccc(Oc2ncccc2NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2c1CCC2 ZINC000020421584 553647933 /nfs/dbraw/zinc/64/79/33/553647933.db2.gz YQLZNFLPRJEHTC-UHFFFAOYSA-N 0 0 511.548 4.846 50 0 KJAARN CCOC(=O)C1CCN(c2ccccc2CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000020421629 553648080 /nfs/dbraw/zinc/64/80/80/553648080.db2.gz RELWAUHBVJHFNT-UHFFFAOYSA-N 0 0 510.988 4.856 50 0 KJAARN COc1ccc(CCNc2nc3sc4c(c3c(=O)n2-c2cccc(Cl)c2)CCN(C)C4)cc1OC ZINC000020437969 553648554 /nfs/dbraw/zinc/64/85/54/553648554.db2.gz KWHSRONBPRMLGS-UHFFFAOYSA-N 0 0 511.047 4.760 50 0 KJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000020438811 553649248 /nfs/dbraw/zinc/64/92/48/553649248.db2.gz LYFIVUHNICIXPW-BWAHOGKJSA-N 0 0 515.585 4.947 50 0 KJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000020439022 553649108 /nfs/dbraw/zinc/64/91/08/553649108.db2.gz VBYZJZXEZIVBLM-PLRJNAJWSA-N 0 0 527.621 4.817 50 0 KJAARN CCn1cc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000020439088 553649128 /nfs/dbraw/zinc/64/91/28/553649128.db2.gz OTZHXONTMGQKPI-XHPQRKPJSA-N 0 0 527.621 4.817 50 0 biogenic KJAARN CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N2CCCCCC2)c2ccccc21 ZINC000020439177 553649096 /nfs/dbraw/zinc/64/90/96/553649096.db2.gz DYSMWCFRTNJBMF-KQWNVCNZSA-N 0 0 505.615 4.861 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(C(=O)OC)cc1)N(c1ccc(C(=O)OC)cc1)C(=O)C2 ZINC000020446298 553649738 /nfs/dbraw/zinc/64/97/38/553649738.db2.gz GYHPELCUUBOZMM-MHZLTWQESA-N 0 0 503.551 4.736 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(=O)OC)cc1)N(c1ccc(C(=O)OC)cc1)C(=O)C2 ZINC000020446301 553649745 /nfs/dbraw/zinc/64/97/45/553649745.db2.gz GYHPELCUUBOZMM-HHHXNRCGSA-N 0 0 503.551 4.736 50 0 KJAARN CC(=O)c1nn(-c2ccc(Cl)cc2)nc1Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000020446942 553649787 /nfs/dbraw/zinc/64/97/87/553649787.db2.gz MAZFYSUGISAFBV-UHFFFAOYSA-N 0 0 507.019 4.891 50 0 KJAARN Cc1cc(C)n(CCC(=O)N(Cc2ccco2)Cc2cc3ccc(Cl)cc3nc2N2CCOCC2)n1 ZINC000020448962 1067162363 /nfs/dbraw/zinc/16/23/63/1067162363.db2.gz HWXQWQYXBIGCGH-UHFFFAOYSA-N 0 0 508.022 4.750 50 0 KJAARN COc1ccccc1C(=O)N(Cc1ccco1)Cc1cc2c(OC)ccc(OC)c2nc1N1CCOCC1 ZINC000020449806 1067162436 /nfs/dbraw/zinc/16/24/36/1067162436.db2.gz BKYMPDKQZRPDCG-UHFFFAOYSA-N 0 0 517.582 4.533 50 0 KJAARN COc1ccc(CN(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C(=O)CCn2nc(C)cc2C)cc1 ZINC000020452500 1067162562 /nfs/dbraw/zinc/16/25/62/1067162562.db2.gz HGGXYPCAXCLYHG-UHFFFAOYSA-N 0 0 531.657 4.759 50 0 KJAARN O=C(/C=C/c1cccc(F)c1)N1CCC[C@@H](COc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020453319 553651944 /nfs/dbraw/zinc/65/19/44/553651944.db2.gz BCWDSDONRQNKQC-RBUXCVQISA-N 0 0 528.672 4.869 50 0 KJAARN O=C(/C=C/c1cccc(F)c1)N1CCC[C@H](COc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020453321 553651922 /nfs/dbraw/zinc/65/19/22/553651922.db2.gz BCWDSDONRQNKQC-MYLCPLCOSA-N 0 0 528.672 4.869 50 0 KJAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020462080 553656068 /nfs/dbraw/zinc/65/60/68/553656068.db2.gz XSTRPVSRISMEHZ-NDEPHWFRSA-N 0 0 517.029 4.954 50 0 KJAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020462083 553656142 /nfs/dbraw/zinc/65/61/42/553656142.db2.gz XSTRPVSRISMEHZ-MUUNZHRXSA-N 0 0 517.029 4.954 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000020462157 553656138 /nfs/dbraw/zinc/65/61/38/553656138.db2.gz ZKJXRHVXXVVYBF-LIONHTAISA-N 0 0 506.002 4.631 50 0 KJAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(NCCN2CCOCC2)n1 ZINC000020462789 553656428 /nfs/dbraw/zinc/65/64/28/553656428.db2.gz PSEPCTFYLUNVMW-UHFFFAOYSA-N 0 0 501.722 4.755 50 0 KJAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000020464656 553656657 /nfs/dbraw/zinc/65/66/57/553656657.db2.gz OEHCRUQFBFDQIC-UHFFFAOYSA-N 0 0 513.594 4.589 50 0 KJAARN COc1cc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000020464696 553656775 /nfs/dbraw/zinc/65/67/75/553656775.db2.gz MRYIYSDLODCYLG-UHFFFAOYSA-N 0 0 529.593 4.669 50 0 KJAARN C=C1C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000020465829 553657066 /nfs/dbraw/zinc/65/70/66/553657066.db2.gz FMRVQDQTEJHCCW-UHFFFAOYSA-N 0 0 514.367 4.763 50 0 KJAARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C(C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000020477672 553657396 /nfs/dbraw/zinc/65/73/96/553657396.db2.gz XRJPOPAWGLBWLU-LRSLUSHPSA-N 0 0 518.616 4.611 50 0 KJAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3 ZINC000020479487 553657664 /nfs/dbraw/zinc/65/76/64/553657664.db2.gz GEJNEQBIMHWUDN-GOSISDBHSA-N 0 0 505.665 4.968 50 0 KJAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3 ZINC000020479490 553657701 /nfs/dbraw/zinc/65/77/01/553657701.db2.gz GEJNEQBIMHWUDN-SFHVURJKSA-N 0 0 505.665 4.968 50 0 KJAARN Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(O)c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000020491125 553664017 /nfs/dbraw/zinc/66/40/17/553664017.db2.gz UYLYIKKUSANBTQ-WIOPSUGQSA-N 0 0 512.591 4.902 50 0 KJAARN Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(O)c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000020491127 553663983 /nfs/dbraw/zinc/66/39/83/553663983.db2.gz UYLYIKKUSANBTQ-RCZVLFRGSA-N 0 0 512.591 4.902 50 0 KJAARN Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(O)c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000020491129 553664301 /nfs/dbraw/zinc/66/43/01/553664301.db2.gz UYLYIKKUSANBTQ-DHLKQENFSA-N 0 0 512.591 4.902 50 0 KJAARN Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(O)c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000020491131 553664323 /nfs/dbraw/zinc/66/43/23/553664323.db2.gz UYLYIKKUSANBTQ-RDGATRHJSA-N 0 0 512.591 4.902 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccccc3)nc2O)cc1 ZINC000020491189 553664363 /nfs/dbraw/zinc/66/43/63/553664363.db2.gz DZCRGIRXTSNKHK-RPBOFIJWSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccccc3)nc2O)cc1 ZINC000020491191 553664344 /nfs/dbraw/zinc/66/43/44/553664344.db2.gz DZCRGIRXTSNKHK-JWQCQUIFSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccccc3)nc2O)cc1 ZINC000020491193 553664501 /nfs/dbraw/zinc/66/45/01/553664501.db2.gz DZCRGIRXTSNKHK-DQEYMECFSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccccc3)nc2O)cc1 ZINC000020491195 553664416 /nfs/dbraw/zinc/66/44/16/553664416.db2.gz DZCRGIRXTSNKHK-LOSJGSFVSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491206 553664440 /nfs/dbraw/zinc/66/44/40/553664440.db2.gz QSFSEVMCKXPRIN-JWQCQUIFSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491208 553664312 /nfs/dbraw/zinc/66/43/12/553664312.db2.gz QSFSEVMCKXPRIN-RPBOFIJWSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491210 553664354 /nfs/dbraw/zinc/66/43/54/553664354.db2.gz QSFSEVMCKXPRIN-LOSJGSFVSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491212 553664430 /nfs/dbraw/zinc/66/44/30/553664430.db2.gz QSFSEVMCKXPRIN-DQEYMECFSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491238 553664835 /nfs/dbraw/zinc/66/48/35/553664835.db2.gz UHICXHRWOACHRL-ILBGXUMGSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491240 553664848 /nfs/dbraw/zinc/66/48/48/553664848.db2.gz UHICXHRWOACHRL-NOZRDPDXSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491242 553664864 /nfs/dbraw/zinc/66/48/64/553664864.db2.gz UHICXHRWOACHRL-UKILVPOCSA-N 0 0 514.607 4.882 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491244 553664758 /nfs/dbraw/zinc/66/47/58/553664758.db2.gz UHICXHRWOACHRL-ZCYQVOJMSA-N 0 0 514.607 4.882 50 0 KJAARN O=C(c1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020494678 553666902 /nfs/dbraw/zinc/66/69/02/553666902.db2.gz KWFNTWWMMYWZHT-UHFFFAOYSA-N 0 0 523.464 4.918 50 0 KJAARN COc1ccc(-n2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3ccccc3c2=O)cc1 ZINC000020508848 553668349 /nfs/dbraw/zinc/66/83/49/553668349.db2.gz GQJZEDWSIWRKHC-UHFFFAOYSA-N 0 0 507.512 4.981 50 0 KJAARN COc1cccc(-n2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3ccccc3c2=O)c1 ZINC000020509063 553668476 /nfs/dbraw/zinc/66/84/76/553668476.db2.gz YBCFXBKFNPOSJL-UHFFFAOYSA-N 0 0 507.512 4.981 50 0 KJAARN O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020509507 553668402 /nfs/dbraw/zinc/66/84/02/553668402.db2.gz XHGSYMWPHQMNNV-UHFFFAOYSA-N 0 0 511.578 4.521 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000020517928 553668661 /nfs/dbraw/zinc/66/86/61/553668661.db2.gz PDGHWJAKXKHZBB-UODYQJQCSA-N 0 0 504.995 4.888 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000020517930 553668798 /nfs/dbraw/zinc/66/87/98/553668798.db2.gz PDGHWJAKXKHZBB-MBPYSEENSA-N 0 0 504.995 4.888 50 0 KJAARN O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020530038 553669641 /nfs/dbraw/zinc/66/96/41/553669641.db2.gz AEPLRWSSTPFGKZ-UHFFFAOYSA-N 0 0 511.953 4.903 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531089 553669898 /nfs/dbraw/zinc/66/98/98/553669898.db2.gz VMTPLRLUAYIRKV-SANMLTNESA-N 0 0 503.624 4.587 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531090 553670049 /nfs/dbraw/zinc/67/00/49/553670049.db2.gz VMTPLRLUAYIRKV-AREMUKBSSA-N 0 0 503.624 4.587 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000020533491 553670882 /nfs/dbraw/zinc/67/08/82/553670882.db2.gz HMWBKBVMLDNKON-VETGKBFTSA-N 0 0 504.995 4.888 50 0 KJAARN CC(=O)c1ccc(N2CCN(c3nc(-c4cc(C)cs4)ccc3C(=O)NCc3cc(C)no3)CC2)cc1 ZINC000020535882 553670861 /nfs/dbraw/zinc/67/08/61/553670861.db2.gz BUPITJFWCUVODO-UHFFFAOYSA-N 0 0 515.639 4.874 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000020559242 553671716 /nfs/dbraw/zinc/67/17/16/553671716.db2.gz UPJGZOBDRXNGAO-VWLOTQADSA-N 0 0 505.546 4.989 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000020559244 553671643 /nfs/dbraw/zinc/67/16/43/553671643.db2.gz UPJGZOBDRXNGAO-RUZDIDTESA-N 0 0 505.546 4.989 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000020559263 553671686 /nfs/dbraw/zinc/67/16/86/553671686.db2.gz VZIGKAUSHMXMJA-SANMLTNESA-N 0 0 517.582 4.859 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000020559265 553671651 /nfs/dbraw/zinc/67/16/51/553671651.db2.gz VZIGKAUSHMXMJA-AREMUKBSSA-N 0 0 517.582 4.859 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000020559280 553671647 /nfs/dbraw/zinc/67/16/47/553671647.db2.gz QPPKKCDFHFXSIY-SANMLTNESA-N 0 0 517.582 4.859 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000020559282 553671730 /nfs/dbraw/zinc/67/17/30/553671730.db2.gz QPPKKCDFHFXSIY-AREMUKBSSA-N 0 0 517.582 4.859 50 0 KJAARN COc1cccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000020559324 553671749 /nfs/dbraw/zinc/67/17/49/553671749.db2.gz VEJTZIGZIMFAOF-DEOSSOPVSA-N 0 0 523.973 4.732 50 0 KJAARN COc1cccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000020559326 553671603 /nfs/dbraw/zinc/67/16/03/553671603.db2.gz VEJTZIGZIMFAOF-XMMPIXPASA-N 0 0 523.973 4.732 50 0 KJAARN CCOc1ccc([C@@H](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561367 553672541 /nfs/dbraw/zinc/67/25/41/553672541.db2.gz TWSXCXXGHBBYHG-JOCHJYFZSA-N 0 0 520.582 4.846 50 0 KJAARN CCOc1ccc([C@H](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561368 553672594 /nfs/dbraw/zinc/67/25/94/553672594.db2.gz TWSXCXXGHBBYHG-QFIPXVFZSA-N 0 0 520.582 4.846 50 0 KJAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000020561991 553672582 /nfs/dbraw/zinc/67/25/82/553672582.db2.gz HUOABDBKRGNJRV-UHFFFAOYSA-N 0 0 500.045 4.619 50 0 KJAARN COc1ccc(CNC(=O)c2ccc3nc(N4CCN(c5ccccc5Cl)CC4)ccc3n2)cc1OC ZINC000020565335 553673717 /nfs/dbraw/zinc/67/37/17/553673717.db2.gz ARLLNOBBJSHBOV-UHFFFAOYSA-N 0 0 518.017 4.557 50 0 KJAARN CCN(CC)C(=O)c1sc(NC(=O)c2cc3cc(Br)ccc3oc2=N)c(C(=O)OC)c1C ZINC000020568800 553673968 /nfs/dbraw/zinc/67/39/68/553673968.db2.gz YBUDPNLFCLASRP-UHFFFAOYSA-N 0 0 520.405 4.566 50 0 KJAARN COc1ccc(C2=C/C(=C3/N=C(c4cccs4)OC3=O)c3ccccc3O2)cc1CN1CCOCC1 ZINC000020572740 553674857 /nfs/dbraw/zinc/67/48/57/553674857.db2.gz RMOVSTJRKYTEOP-QLYXXIJNSA-N 0 0 500.576 4.737 50 0 KJAARN COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)Nc4ccc(CN5CCOCC5)cc4)ccc32)cc1 ZINC000020573609 553674851 /nfs/dbraw/zinc/67/48/51/553674851.db2.gz VGYVCFBXMVEUFW-HXUWFJFHSA-N 0 0 514.578 4.707 50 0 biogenic KJAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(Cc4ccccc4)CC3)cnn2-c2ccccc2)CC1 ZINC000020575585 553675519 /nfs/dbraw/zinc/67/55/19/553675519.db2.gz WUVOXIOHUIZLFS-UHFFFAOYSA-N 0 0 529.685 4.945 50 0 KJAARN CCCSC1=NC2(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)N=C1c1ccc(C)cc1 ZINC000020582099 553676308 /nfs/dbraw/zinc/67/63/08/553676308.db2.gz FUDPLHFKNRZEFU-UHFFFAOYSA-N 0 0 501.674 4.538 50 0 KJAARN CCCCSC1=NC2(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)N=C1c1ccccc1 ZINC000020582103 553676265 /nfs/dbraw/zinc/67/62/65/553676265.db2.gz SZJPUQPCGLOYLK-UHFFFAOYSA-N 0 0 501.674 4.619 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O)Nc1ccccc1 ZINC000020582590 553676269 /nfs/dbraw/zinc/67/62/69/553676269.db2.gz MBYFNZSCIOEFGO-UHFFFAOYSA-N 0 0 506.584 4.722 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(F)c1)S2(=O)=O)Nc1ccccc1 ZINC000020582604 553676244 /nfs/dbraw/zinc/67/62/44/553676244.db2.gz FCFMEDXGLCIGEP-UHFFFAOYSA-N 0 0 506.584 4.722 50 0 KJAARN Cc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccccc4)ncc3S2(=O)=O)c1 ZINC000020582620 553676369 /nfs/dbraw/zinc/67/63/69/553676369.db2.gz KEAJBOXUCJVIBI-UHFFFAOYSA-N 0 0 502.621 4.892 50 0 KJAARN Cc1ccccc1CN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3)ncc2S1(=O)=O ZINC000020582633 553676329 /nfs/dbraw/zinc/67/63/29/553676329.db2.gz JOJMDPIJHFHLDE-UHFFFAOYSA-N 0 0 502.621 4.892 50 0 KJAARN COc1ccc2c(C)c(CC(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(=O)oc2c1 ZINC000020588604 553676725 /nfs/dbraw/zinc/67/67/25/553676725.db2.gz DOOSEPJPSKKXAA-UHFFFAOYSA-N 0 0 518.560 4.865 50 0 KJAARN CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1 ZINC000020590726 553676698 /nfs/dbraw/zinc/67/66/98/553676698.db2.gz GFYNAOQQAAWOGP-UHFFFAOYSA-N 0 0 510.590 4.503 50 0 KJAARN COc1ccc2c(C)c(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1OC ZINC000020590925 553676718 /nfs/dbraw/zinc/67/67/18/553676718.db2.gz GMSATLUICLYNRW-UHFFFAOYSA-N 0 0 512.606 4.595 50 0 KJAARN COc1cc(OC)c2c(C)c(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1 ZINC000020591211 553676948 /nfs/dbraw/zinc/67/69/48/553676948.db2.gz SZUFMZZHFXOKCD-UHFFFAOYSA-N 0 0 512.606 4.595 50 0 KJAARN CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1C ZINC000020591807 553677003 /nfs/dbraw/zinc/67/70/03/553677003.db2.gz JHZYCPLRPFHXDG-UHFFFAOYSA-N 0 0 524.617 4.811 50 0 KJAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)Nc4ccc(CN5CCOCC5)cc4)ccc23)cc1 ZINC000020591817 553676842 /nfs/dbraw/zinc/67/68/42/553676842.db2.gz LTSZSMRSIQOODD-UHFFFAOYSA-N 0 0 514.578 4.627 50 0 biogenic KJAARN COc1ccc(Cl)cc1-n1nnc(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)c1C ZINC000020597789 553677270 /nfs/dbraw/zinc/67/72/70/553677270.db2.gz XDXQYUWDTXYFAT-UHFFFAOYSA-N 0 0 505.785 4.771 50 0 KJAARN O=C(COc1ccc(-c2csc3ccccc23)cc1CN1CCOCC1)NCc1ccc2c(c1)OCO2 ZINC000020600391 553677296 /nfs/dbraw/zinc/67/72/96/553677296.db2.gz JTGWDVUAIJRQRX-UHFFFAOYSA-N 0 0 516.619 4.824 50 0 KJAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3c(C)nn(C)c3C)nc3c1c(C)nn3C)CCCCC2 ZINC000020606494 553677799 /nfs/dbraw/zinc/67/77/99/553677799.db2.gz CANNGVVDLMGJMH-UHFFFAOYSA-N 0 0 506.632 4.663 50 0 KJAARN C[C@@H](NC(=S)Nc1cnn(Cn2cc(NC(=S)N[C@@H](C)c3ccccc3)cn2)c1)c1ccccc1 ZINC000020608372 553677843 /nfs/dbraw/zinc/67/78/43/553677843.db2.gz SGLCZQYUXWMNKN-KDURUIRLSA-N 0 0 504.689 4.681 50 0 KJAARN Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000020615244 553679686 /nfs/dbraw/zinc/67/96/86/553679686.db2.gz JHZZEGONPJZTID-RFBIWTDZSA-N 0 0 510.637 4.666 50 0 KJAARN COC(=O)[C@@H](NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)C12CC3CC(CC(C3)C1)C2 ZINC000020615441 553679744 /nfs/dbraw/zinc/67/97/44/553679744.db2.gz CTDIKCPKBXCWRU-BBRFRGFUSA-N 0 0 518.561 4.964 50 0 biogenic KJAARN COC(=O)[C@H](NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)C12CC3CC(CC(C3)C1)C2 ZINC000020615443 553679668 /nfs/dbraw/zinc/67/96/68/553679668.db2.gz CTDIKCPKBXCWRU-UXHOKWCBSA-N 0 0 518.561 4.964 50 0 biogenic KJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000020615487 553679602 /nfs/dbraw/zinc/67/96/02/553679602.db2.gz IWTFCEBIYMRCOU-SXEONFLVSA-N 0 0 513.509 4.769 50 0 KJAARN CCOc1ccc(OCC)c(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(OC)cc2)c1 ZINC000020616953 553680002 /nfs/dbraw/zinc/68/00/02/553680002.db2.gz CXGLNPJCJJWNMA-PNOGMODKSA-N 0 0 503.555 4.919 50 0 KJAARN COc1ccc(/N=c2\oc3c(C)ncc(COC(C)=O)c3cc2C(=O)Nc2ccccc2F)c(OC)c1 ZINC000020617056 553680115 /nfs/dbraw/zinc/68/01/15/553680115.db2.gz GHDGSZHATYJUMD-QVTSOHHYSA-N 0 0 505.502 4.840 50 0 KJAARN COC(=O)c1ccc(/N=c2\oc3c(C)ncc(COC(C)=O)c3cc2C(=O)Nc2ccccc2F)cc1 ZINC000020617060 553680077 /nfs/dbraw/zinc/68/00/77/553680077.db2.gz HOXCXYHCDFPXOX-BXVZCJGGSA-N 0 0 503.486 4.610 50 0 KJAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cc(Cl)ccc2OC)c(OC)c1 ZINC000020617177 553680324 /nfs/dbraw/zinc/68/03/24/553680324.db2.gz GFHDYFPYGVCOEF-BXVZCJGGSA-N 0 0 509.946 4.792 50 0 KJAARN CCOC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000020617456 553680359 /nfs/dbraw/zinc/68/03/59/553680359.db2.gz MYVKBXDNXAWLIO-IKPAITLHSA-N 0 0 501.539 4.607 50 0 KJAARN CCOC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000020617476 553680243 /nfs/dbraw/zinc/68/02/43/553680243.db2.gz KYKXPXFPKJWNCD-BXVZCJGGSA-N 0 0 521.957 4.952 50 0 KJAARN CCOc1ccc(/N=c2\oc3c(C)ncc(COC(C)=O)c3cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000020617647 553680328 /nfs/dbraw/zinc/68/03/28/553680328.db2.gz XPNBSQAXSWFXQY-PNOGMODKSA-N 0 0 515.522 4.811 50 0 KJAARN CCCCOc1ccc(N2C(=O)C[C@@H](N(Cc3cn(C)nc3C)C(=S)Nc3ccc(C)cc3)C2=O)cc1 ZINC000020617893 553680647 /nfs/dbraw/zinc/68/06/47/553680647.db2.gz YHOKRTOFTUKXNN-RUZDIDTESA-N 0 0 519.671 4.747 50 0 KJAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020622181 553680966 /nfs/dbraw/zinc/68/09/66/553680966.db2.gz UEDOBEROSPLZHQ-UHFFFAOYSA-N 0 0 518.560 4.952 50 0 KJAARN CCc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCOCC2)cc1 ZINC000020640954 553681812 /nfs/dbraw/zinc/68/18/12/553681812.db2.gz ZKYIACYYGSWSTA-UHFFFAOYSA-N 0 0 522.696 4.627 50 0 KJAARN COc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N32)c1 ZINC000020642414 553682329 /nfs/dbraw/zinc/68/23/29/553682329.db2.gz VIIMIGQBPMGBBZ-DEOSSOPVSA-N 0 0 509.591 4.750 50 0 KJAARN CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O ZINC000020642733 553682267 /nfs/dbraw/zinc/68/22/67/553682267.db2.gz ZWAJEGRPQYOITR-QHCPKHFHSA-N 0 0 519.671 4.837 50 0 KJAARN CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O ZINC000020642735 553682326 /nfs/dbraw/zinc/68/23/26/553682326.db2.gz ZWAJEGRPQYOITR-HSZRJFAPSA-N 0 0 519.671 4.837 50 0 KJAARN CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3cccc(C)c3)N2C1=O ZINC000020642781 553682583 /nfs/dbraw/zinc/68/25/83/553682583.db2.gz TYYDHBVQHASPBS-GOTSBHOMSA-N 0 0 519.671 4.801 50 0 KJAARN CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3cccc(C)c3)N2C1=O ZINC000020642783 553682596 /nfs/dbraw/zinc/68/25/96/553682596.db2.gz TYYDHBVQHASPBS-PKTZIBPZSA-N 0 0 519.671 4.801 50 0 KJAARN CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3cccc(C)c3)N2C1=O ZINC000020642785 553682585 /nfs/dbraw/zinc/68/25/85/553682585.db2.gz TYYDHBVQHASPBS-XZOQPEGZSA-N 0 0 519.671 4.801 50 0 KJAARN CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3cccc(C)c3)N2C1=O ZINC000020642787 553682579 /nfs/dbraw/zinc/68/25/79/553682579.db2.gz TYYDHBVQHASPBS-DHIUTWEWSA-N 0 0 519.671 4.801 50 0 KJAARN CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O ZINC000020643121 553683238 /nfs/dbraw/zinc/68/32/38/553683238.db2.gz KWUZTFVEGJHWRA-GOTSBHOMSA-N 0 0 519.671 4.664 50 0 KJAARN CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O ZINC000020643123 553683246 /nfs/dbraw/zinc/68/32/46/553683246.db2.gz KWUZTFVEGJHWRA-PKTZIBPZSA-N 0 0 519.671 4.664 50 0 KJAARN CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O ZINC000020643125 553683206 /nfs/dbraw/zinc/68/32/06/553683206.db2.gz KWUZTFVEGJHWRA-XZOQPEGZSA-N 0 0 519.671 4.664 50 0 KJAARN CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O ZINC000020643127 553683242 /nfs/dbraw/zinc/68/32/42/553683242.db2.gz KWUZTFVEGJHWRA-DHIUTWEWSA-N 0 0 519.671 4.664 50 0 KJAARN O=C(CCn1c(=O)c2ccccc2nc1SCc1cccc(F)c1)N1CCN(c2ccccc2)CC1 ZINC000020643949 553683761 /nfs/dbraw/zinc/68/37/61/553683761.db2.gz JPKIMBAISTYDMW-UHFFFAOYSA-N 0 0 502.615 4.567 50 0 KJAARN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000020644042 553683813 /nfs/dbraw/zinc/68/38/13/553683813.db2.gz XMRAUINIUVAYMS-UHFFFAOYSA-N 0 0 519.070 4.781 50 0 KJAARN C[N@H+](CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O)Cc1ccccc1 ZINC000020644066 553683792 /nfs/dbraw/zinc/68/37/92/553683792.db2.gz JTMRKLOTJUIIGB-UHFFFAOYSA-N 0 0 507.059 4.639 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CCCC(=O)N1CCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000020644260 553684371 /nfs/dbraw/zinc/68/43/71/553684371.db2.gz XHMRYLUULCZCMM-UHFFFAOYSA-N 0 0 518.561 4.549 50 0 KJAARN CCOC(=O)c1cc(CSc2nc3ccccc3c(=O)n2CCC(OCC)OCC)c2c(c1)COCO2 ZINC000020644280 553684345 /nfs/dbraw/zinc/68/43/45/553684345.db2.gz VQIKXYDGEZHOKE-UHFFFAOYSA-N 0 0 528.627 4.521 50 0 KJAARN CCOc1cc2[n-]c(=S)n(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(=O)c2cc1OCC ZINC000020644594 553684707 /nfs/dbraw/zinc/68/47/07/553684707.db2.gz GKPYDGDJPALWPT-UHFFFAOYSA-N 0 0 503.068 4.722 50 0 KJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2ccc(-n3c(=O)c4ccccc4[nH]c3=S)cc2)CC1 ZINC000020644773 553685018 /nfs/dbraw/zinc/68/50/18/553685018.db2.gz BLNWNIFCERQEHW-UHFFFAOYSA-N 0 0 505.043 4.901 50 0 KJAARN CC[C@@H](Sc1nc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c(=O)n1N)C(=O)NC1CCCCC1 ZINC000020644840 553685045 /nfs/dbraw/zinc/68/50/45/553685045.db2.gz XESZWJYUHFQRPO-LJQANCHMSA-N 0 0 527.716 4.669 50 0 KJAARN CC[C@H](Sc1nc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c(=O)n1N)C(=O)NC1CCCCC1 ZINC000020644843 553685004 /nfs/dbraw/zinc/68/50/04/553685004.db2.gz XESZWJYUHFQRPO-IBGZPJMESA-N 0 0 527.716 4.669 50 0 KJAARN CC1CCN(C(=O)CSc2nc3c(sc(=S)n3Cc3ccco3)c(=O)n2-c2ccccc2)CC1 ZINC000020645185 553684980 /nfs/dbraw/zinc/68/49/80/553684980.db2.gz IJWBBTRKJMPVRL-UHFFFAOYSA-N 0 0 512.682 4.970 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2cccc(-n3c(=O)c4ccc(Cl)cc4[nH]c3=S)c2)CC1 ZINC000020645621 553685021 /nfs/dbraw/zinc/68/50/21/553685021.db2.gz ZMSNRIBRNDIIDS-UHFFFAOYSA-N 0 0 507.015 4.673 50 0 KJAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000020646077 553685353 /nfs/dbraw/zinc/68/53/53/553685353.db2.gz USFNVVDQRFJION-UHFFFAOYSA-N 0 0 536.721 4.978 50 0 KJAARN O=C(N/C(=C/c1cccs1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cc(Cl)ccc1Cl ZINC000020663014 553685549 /nfs/dbraw/zinc/68/55/49/553685549.db2.gz FQICJKJBDXIGIP-GJSZRHCTSA-N 0 0 514.434 4.633 50 0 biogenic KJAARN O=C(N/C(=C\c1ccc(Cl)cc1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1Cl ZINC000020663126 553685934 /nfs/dbraw/zinc/68/59/34/553685934.db2.gz CFALZLLAZCMSJE-IVGYBKNSSA-N 0 0 508.405 4.572 50 0 biogenic KJAARN CSc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000020663134 553685936 /nfs/dbraw/zinc/68/59/36/553685936.db2.gz YIROXTLYBIUOBZ-JMVLLECOSA-N 0 0 520.054 4.640 50 0 biogenic KJAARN COc1ccc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2S(=O)(=O)Nc2cccc(OC)c2)cc1 ZINC000020663463 553686078 /nfs/dbraw/zinc/68/60/78/553686078.db2.gz GOYYVKSAPLQBKO-UHFFFAOYSA-N 0 0 523.655 4.989 50 0 KJAARN COc1ccc(CCNC(=O)c2cccnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000020664311 553686519 /nfs/dbraw/zinc/68/65/19/553686519.db2.gz NQVFUEGRXOQKBH-UHFFFAOYSA-N 0 0 519.545 4.821 50 0 KJAARN COC(CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1Sc1cccc(Cl)c1)OC ZINC000020664410 553686487 /nfs/dbraw/zinc/68/64/87/553686487.db2.gz AUARSCHVNWCPHH-CALCHBBNSA-N 0 0 527.108 4.507 50 0 KJAARN COC(CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Sc1cccc(Cl)c1)OC ZINC000020664412 553686486 /nfs/dbraw/zinc/68/64/86/553686486.db2.gz AUARSCHVNWCPHH-IAGOWNOFSA-N 0 0 527.108 4.507 50 0 KJAARN COC(CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Sc1cccc(Cl)c1)OC ZINC000020664414 553686507 /nfs/dbraw/zinc/68/65/07/553686507.db2.gz AUARSCHVNWCPHH-IRXDYDNUSA-N 0 0 527.108 4.507 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000020664507 553686460 /nfs/dbraw/zinc/68/64/60/553686460.db2.gz DHQGYAGWFGGPDX-UHFFFAOYSA-N 0 0 507.509 4.608 50 0 KJAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c2)cc1 ZINC000020664632 553686482 /nfs/dbraw/zinc/68/64/82/553686482.db2.gz ZQICHRNLSMLWSK-FQEVSTJZSA-N 0 0 511.619 4.685 50 0 KJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1F ZINC000020664801 553686484 /nfs/dbraw/zinc/68/64/84/553686484.db2.gz UUPYOPLWSMDBKG-UHFFFAOYSA-N 0 0 507.509 4.608 50 0 KJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1F ZINC000020664876 553686447 /nfs/dbraw/zinc/68/64/47/553686447.db2.gz VPYQTHZZSYOQDS-UHFFFAOYSA-N 0 0 507.509 4.608 50 0 KJAARN CCOC(=O)c1ccc(NC2CCCCC2)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000020665356 553686657 /nfs/dbraw/zinc/68/66/57/553686657.db2.gz ATTSZMBBTXEGAV-UHFFFAOYSA-N 0 0 527.687 4.956 50 0 KJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000020677343 553687778 /nfs/dbraw/zinc/68/77/78/553687778.db2.gz PQXMRGJOEHRUNP-UHFFFAOYSA-N 0 0 507.509 4.608 50 0 KJAARN CCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=S)Nc2ccc(CC)cc2)c1 ZINC000020678719 553687691 /nfs/dbraw/zinc/68/76/91/553687691.db2.gz SABNNIVVOGMOFB-GGAORHGYSA-N 0 0 529.710 4.983 50 0 KJAARN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000020679658 553687724 /nfs/dbraw/zinc/68/77/24/553687724.db2.gz SVEVLSUGVBDORC-HHHXNRCGSA-N 0 0 524.543 4.868 50 0 KJAARN Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000020679662 553687727 /nfs/dbraw/zinc/68/77/27/553687727.db2.gz SVEVLSUGVBDORC-MHZLTWQESA-N 0 0 524.543 4.868 50 0 KJAARN COc1cc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2Cc2ccc3c(c2)OCO3)ccc1OC(C)C ZINC000020679888 553688024 /nfs/dbraw/zinc/68/80/24/553688024.db2.gz BGRLUCQLGVENRY-CWYPTGNGSA-N 0 0 508.615 4.702 50 0 KJAARN COc1cc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2Cc2ccc3c(c2)OCO3)ccc1OC(C)C ZINC000020679892 553688032 /nfs/dbraw/zinc/68/80/32/553688032.db2.gz BGRLUCQLGVENRY-GWCPKJKKSA-N 0 0 508.615 4.702 50 0 KJAARN COc1cc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)ccc1OC(C)C ZINC000020680069 553688000 /nfs/dbraw/zinc/68/80/00/553688000.db2.gz FIQHLHNWBWMGPL-NDEPHWFRSA-N 0 0 508.615 4.846 50 0 KJAARN COc1cc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)ccc1OC(C)C ZINC000020680073 553687961 /nfs/dbraw/zinc/68/79/61/553687961.db2.gz FIQHLHNWBWMGPL-MUUNZHRXSA-N 0 0 508.615 4.846 50 0 KJAARN CCCOc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C[C@H]2COc3ccccc3O2)cc1OC ZINC000020680153 553687992 /nfs/dbraw/zinc/68/79/92/553687992.db2.gz YIYVPINYQAQSDD-MUAVYFROSA-N 0 0 522.642 4.759 50 0 KJAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(Cl)cc1)N2 ZINC000020680289 553688034 /nfs/dbraw/zinc/68/80/34/553688034.db2.gz YYDRBKDMTVYTCJ-QHCPKHFHSA-N 0 0 504.052 4.530 50 0 KJAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(Cl)cc1)N2 ZINC000020680293 553688030 /nfs/dbraw/zinc/68/80/30/553688030.db2.gz YYDRBKDMTVYTCJ-HSZRJFAPSA-N 0 0 504.052 4.530 50 0 KJAARN Cc1ccc(CN2c3cc(C(=O)NCCCN4CCOCC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000020680617 553688174 /nfs/dbraw/zinc/68/81/74/553688174.db2.gz GHBHVZIGLDGIRQ-UHFFFAOYSA-N 0 0 501.652 4.759 50 0 KJAARN Cc1cccc(CN2c3cc(C(=O)NCCCN4CCOCC4)ccc3Sc3ccccc3C2=O)c1 ZINC000020680983 553688226 /nfs/dbraw/zinc/68/82/26/553688226.db2.gz LRROSXVMUQIEIA-UHFFFAOYSA-N 0 0 501.652 4.759 50 0 KJAARN Cc1cc(C)cc(NC(=S)Nc2cc(C(=O)NC3CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000020681805 553688249 /nfs/dbraw/zinc/68/82/49/553688249.db2.gz ZKWPYIQCQMEGNK-IRLDBZIGSA-N 0 0 527.694 4.790 50 0 KJAARN Cc1ccc(NC(=S)Nc2cc(C(=O)N3CCCC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000020682482 553688289 /nfs/dbraw/zinc/68/82/89/553688289.db2.gz MCKOZKRKGBXTOV-GGAORHGYSA-N 0 0 527.694 4.825 50 0 KJAARN CCOc1ccc(CCN2C(=O)c3ccccc3[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC ZINC000020683968 553688662 /nfs/dbraw/zinc/68/86/62/553688662.db2.gz SJWPRMLNPMITAR-GDLZYMKVSA-N 0 0 532.637 4.600 50 0 KJAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000020685107 553688523 /nfs/dbraw/zinc/68/85/23/553688523.db2.gz PHULSWZSBVYBKL-UHFFFAOYSA-N 0 0 508.043 4.714 50 0 KJAARN CC(=O)Nc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Sc1ccc(C)cc1 ZINC000020685629 553688561 /nfs/dbraw/zinc/68/85/61/553688561.db2.gz CBVIRUAHYPCTQE-UHFFFAOYSA-N 0 0 503.624 4.791 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2N2CCCCC2)cc1 ZINC000020725171 553690027 /nfs/dbraw/zinc/69/00/27/553690027.db2.gz BXEXTBHJGQSCPC-UHFFFAOYSA-N 0 0 532.710 4.744 50 0 KJAARN CCOc1ccc2c(c1)[C@H](N(CCN1CCOCC1)C(=O)Nc1ccc(OC)cc1OC)CC(C)(C)O2 ZINC000020725516 553689957 /nfs/dbraw/zinc/68/99/57/553689957.db2.gz XANUZQAOQJNEMY-XMMPIXPASA-N 0 0 513.635 4.571 50 0 KJAARN CCOc1ccc2c(c1)[C@@H](N(CCN1CCOCC1)C(=O)Nc1ccc(OC)cc1OC)CC(C)(C)O2 ZINC000020725520 553689916 /nfs/dbraw/zinc/68/99/16/553689916.db2.gz XANUZQAOQJNEMY-DEOSSOPVSA-N 0 0 513.635 4.571 50 0 KJAARN O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)NCCCN1CCN(c2ccccc2F)CC1 ZINC000020726651 553690296 /nfs/dbraw/zinc/69/02/96/553690296.db2.gz VSYFKLLOZADCNM-HFTWOUSFSA-N 0 0 530.669 4.634 50 0 KJAARN Cc1ccccc1CN1c2cc(C(=O)NCCCN3CCOCC3)ccc2Sc2ccccc2C1=O ZINC000020726789 553690385 /nfs/dbraw/zinc/69/03/85/553690385.db2.gz BKZWTDSEUPHOEH-UHFFFAOYSA-N 0 0 501.652 4.759 50 0 KJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000020727117 553690702 /nfs/dbraw/zinc/69/07/02/553690702.db2.gz FMQZMYWJDDORSK-ONUIUJJFSA-N 0 0 504.608 4.551 50 0 biogenic KJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000020727139 553690712 /nfs/dbraw/zinc/69/07/12/553690712.db2.gz GYUONBSRXUKJQF-OMTSMLQXSA-N 0 0 502.592 4.824 50 0 KJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000020727144 553690600 /nfs/dbraw/zinc/69/06/00/553690600.db2.gz GYUONBSRXUKJQF-WTTSBOSASA-N 0 0 502.592 4.824 50 0 KJAARN CC(C)(C)c1ccc2c(c1)N(CC(=O)N1CCC3(CC1)OCCO3)C(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000020727688 553690988 /nfs/dbraw/zinc/69/09/88/553690988.db2.gz BSGZWWGJCGLPIY-LFVJCYFKSA-N 0 0 511.018 4.770 50 0 KJAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000020728712 553691286 /nfs/dbraw/zinc/69/12/86/553691286.db2.gz GRAZLFSLMMNKIS-UHFFFAOYSA-N 0 0 508.043 4.714 50 0 KJAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000020730035 553691493 /nfs/dbraw/zinc/69/14/93/553691493.db2.gz MJJFYHSCTDGXNP-UHFFFAOYSA-N 0 0 505.615 4.589 50 0 KJAARN COc1ccc(Nc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3n2)c(OC)c1 ZINC000020730513 553691846 /nfs/dbraw/zinc/69/18/46/553691846.db2.gz FZJZEWVZMRDOTN-UHFFFAOYSA-N 0 0 526.593 4.682 50 0 KJAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020730538 553691865 /nfs/dbraw/zinc/69/18/65/553691865.db2.gz MDGIGCYXAMFNTI-NHFJDJAPSA-N 0 0 516.642 4.853 50 0 KJAARN COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCCOC(C)C)C2=O)cc1Br ZINC000020732376 553692437 /nfs/dbraw/zinc/69/24/37/553692437.db2.gz CXVFRQZHZPYXMB-HYARGMPZSA-N 0 0 519.461 4.869 50 0 KJAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1Br ZINC000020732394 553692407 /nfs/dbraw/zinc/69/24/07/553692407.db2.gz HMLVFPCQHAPHAL-OYKKKHCWSA-N 0 0 507.384 4.849 50 0 KJAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1Br ZINC000020732468 553692401 /nfs/dbraw/zinc/69/24/01/553692401.db2.gz ZTRAFWCZMHHXPS-QRVIBDJDSA-N 0 0 511.347 4.680 50 0 KJAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCCc3ccc(C)cc3)C2=O)cc1Br ZINC000020732503 553692436 /nfs/dbraw/zinc/69/24/36/553692436.db2.gz RZHHSXBTOQGSCD-XYGWBWBKSA-N 0 0 521.411 4.892 50 0 KJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCc3cccnc3)C2=O)cc1Br ZINC000020732530 553692439 /nfs/dbraw/zinc/69/24/39/553692439.db2.gz FWXZPFFZHUOTIM-UUYOSTAYSA-N 0 0 510.413 4.649 50 0 KJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCc3ccccn3)C2=O)cc1Br ZINC000020732548 553692762 /nfs/dbraw/zinc/69/27/62/553692762.db2.gz AMKVQONBZABENY-XKZIYDEJSA-N 0 0 510.413 4.649 50 0 KJAARN CSc1ccc(-c2nc(CSCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)o2)cc1 ZINC000020733978 553693247 /nfs/dbraw/zinc/69/32/47/553693247.db2.gz DNLDQIVEVYBOMT-UHFFFAOYSA-N 0 0 511.669 4.678 50 0 KJAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3N(C)C2=O)c1 ZINC000020734496 553693309 /nfs/dbraw/zinc/69/33/09/553693309.db2.gz QSUZZTNUMOICBT-LQKURTRISA-N 0 0 527.646 4.791 50 0 KJAARN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CCOCC4)cc3)C2=O)c1 ZINC000020735276 553693209 /nfs/dbraw/zinc/69/32/09/553693209.db2.gz NLVWDLGGVYYRAM-VFCFBJKWSA-N 0 0 513.663 4.737 50 0 KJAARN CCOc1ccc(/C=C2/Sc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3N(C)C2=O)cc1OC ZINC000020735974 553693573 /nfs/dbraw/zinc/69/35/73/553693573.db2.gz RQOFEMQELHIGGG-LGJNPRDNSA-N 0 0 518.591 4.862 50 0 KJAARN CCOc1ccc(CCNC(=O)CN2c3ccccc3O/C(=C\c3ccc(OC)cc3)C2=O)cc1OCC ZINC000020736197 553693798 /nfs/dbraw/zinc/69/37/98/553693798.db2.gz SXIRFXVBHTZFBU-USHMODERSA-N 0 0 516.594 4.618 50 0 KJAARN COc1ccc(/C=C2/Oc3ccccc3N(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)C2=O)cc1 ZINC000020736395 553693803 /nfs/dbraw/zinc/69/38/03/553693803.db2.gz CHBUUEHMTUTMLE-WPWMEQJKSA-N 0 0 518.013 4.772 50 0 KJAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3NC2=O)cc1OC ZINC000020736505 553694068 /nfs/dbraw/zinc/69/40/68/553694068.db2.gz IOYCCEFIHLPTLP-CVKSISIWSA-N 0 0 520.607 4.779 50 0 biogenic KJAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3NC2=O)cc1OC ZINC000020736524 553694052 /nfs/dbraw/zinc/69/40/52/553694052.db2.gz RRAQKMJTZOWQHS-WPWMEQJKSA-N 0 0 515.635 4.747 50 0 KJAARN Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020736874 553694268 /nfs/dbraw/zinc/69/42/68/553694268.db2.gz DKJZHZSCKJFEET-DHUJRADRSA-N 0 0 505.562 4.575 50 0 KJAARN Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020736877 553694240 /nfs/dbraw/zinc/69/42/40/553694240.db2.gz DKJZHZSCKJFEET-PGUFJCEWSA-N 0 0 505.562 4.575 50 0 KJAARN Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCN3CCOCC3)cc2)C1=O ZINC000020737087 553694324 /nfs/dbraw/zinc/69/43/24/553694324.db2.gz GVTQFBVBRIWDMD-VFCFBJKWSA-N 0 0 513.663 4.737 50 0 KJAARN Cc1cccc(CN2c3cc(C(=O)NCCN4CCOCC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000020737813 553694608 /nfs/dbraw/zinc/69/46/08/553694608.db2.gz DWUWWFAYTJICOR-USHMODERSA-N 0 0 513.663 4.737 50 0 KJAARN COc1ccc(CCNC(=O)c2cccnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1OC ZINC000020756117 553695192 /nfs/dbraw/zinc/69/51/92/553695192.db2.gz UZBDRWPRDJZPMU-UHFFFAOYSA-N 0 0 519.545 4.821 50 0 KJAARN CC[C@@H]1CCCCN1C(=O)c1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000020757355 553695175 /nfs/dbraw/zinc/69/51/75/553695175.db2.gz KNALYQVDEZSUDZ-QGZVFWFLSA-N 0 0 506.550 4.829 50 0 KJAARN CC[C@H]1CCCCN1C(=O)c1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000020757362 553695244 /nfs/dbraw/zinc/69/52/44/553695244.db2.gz KNALYQVDEZSUDZ-KRWDZBQOSA-N 0 0 506.550 4.829 50 0 KJAARN Cc1c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000020757524 553695217 /nfs/dbraw/zinc/69/52/17/553695217.db2.gz AXMGHDKJKWNSPX-ZXYWRSMDSA-N 0 0 501.052 4.921 50 0 KJAARN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)ccc21 ZINC000020767299 553697533 /nfs/dbraw/zinc/69/75/33/553697533.db2.gz RRCCTPXFXQMGTQ-UHFFFAOYSA-N 0 0 504.034 4.663 50 0 KJAARN COc1cc2c(cc1NC(=O)CN1CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC1)oc1ccccc12 ZINC000020767415 553697684 /nfs/dbraw/zinc/69/76/84/553697684.db2.gz ZSDAIHVQMJZEDJ-UHFFFAOYSA-N 0 0 521.639 4.663 50 0 KJAARN O=C(/C=C/c1cccs1)N1CCC[C@@H](COc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020774084 553698091 /nfs/dbraw/zinc/69/80/91/553698091.db2.gz XNNKMXWQSRRNOQ-ZPIZUECNSA-N 0 0 516.711 4.792 50 0 KJAARN O=C(/C=C/c1cccs1)N1CCC[C@H](COc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020774088 553698071 /nfs/dbraw/zinc/69/80/71/553698071.db2.gz XNNKMXWQSRRNOQ-RTHIIRHPSA-N 0 0 516.711 4.792 50 0 KJAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(CN4CCN(Cc5cccnc5)CC4)cc3)C2)s1 ZINC000020774962 553698107 /nfs/dbraw/zinc/69/81/07/553698107.db2.gz YMPSNRJWIIAYFV-AREMUKBSSA-N 0 0 504.700 4.701 50 0 KJAARN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(CN4CCN(Cc5cccnc5)CC4)cc3)C2)s1 ZINC000020774966 553698025 /nfs/dbraw/zinc/69/80/25/553698025.db2.gz YMPSNRJWIIAYFV-SANMLTNESA-N 0 0 504.700 4.701 50 0 KJAARN COc1ccc(OC)c2nc(N3CCCC3)c(CN(Cc3ccco3)C(=O)CCn3nc(C)cc3C)cc12 ZINC000020775056 553698085 /nfs/dbraw/zinc/69/80/85/553698085.db2.gz YRHNCFLRECXULO-UHFFFAOYSA-N 0 0 517.630 4.878 50 0 KJAARN CSc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3cccs3)c(N3CCOCC3)nc2c1 ZINC000020778357 1066376137 /nfs/dbraw/zinc/37/61/37/1066376137.db2.gz ZLHJERDQDRIGSX-UHFFFAOYSA-N 0 0 524.712 4.510 50 0 KJAARN O=C(COc1ccc(-c2cccs2)cc1CN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)COC2 ZINC000020778984 553698052 /nfs/dbraw/zinc/69/80/52/553698052.db2.gz YFCKFBHZMXMGDY-UHFFFAOYSA-N 0 0 527.650 4.575 50 0 KJAARN O=C(c1cccc(Cl)c1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000020780316 1066375913 /nfs/dbraw/zinc/37/59/13/1066375913.db2.gz XIWLROAGPPXJTI-UHFFFAOYSA-N 0 0 505.062 4.736 50 0 KJAARN Cc1cc(-c2ccc(OCC(=O)NCc3nc4ccccc4[nH]3)c(CN3CCOCC3)c2)c2ccccc2n1 ZINC000020782547 553698099 /nfs/dbraw/zinc/69/80/99/553698099.db2.gz MQUYYMBMLQKKDX-UHFFFAOYSA-N 0 0 521.621 4.614 50 0 KJAARN COc1ccc(OC)c2nc(N(C)C)c(CN(CCCN3CCCC3=O)C(=O)c3cccc(Cl)c3)cc12 ZINC000020783926 553698094 /nfs/dbraw/zinc/69/80/94/553698094.db2.gz HAGMGTFTYPBLBG-UHFFFAOYSA-N 0 0 525.049 4.626 50 0 KJAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000020784554 1066380829 /nfs/dbraw/zinc/38/08/29/1066380829.db2.gz MHFREDCVGLDISN-DEOSSOPVSA-N 0 0 512.050 4.662 50 0 KJAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000020784558 1067162543 /nfs/dbraw/zinc/16/25/43/1067162543.db2.gz MHFREDCVGLDISN-XMMPIXPASA-N 0 0 512.050 4.662 50 0 KJAARN CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCN1CCOCC1 ZINC000020792836 553698139 /nfs/dbraw/zinc/69/81/39/553698139.db2.gz HCWOPWAWGYYZER-OAQYLSRUSA-N 0 0 522.433 4.596 50 0 KJAARN CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCN1CCOCC1 ZINC000020792839 553698034 /nfs/dbraw/zinc/69/80/34/553698034.db2.gz HCWOPWAWGYYZER-NRFANRHFSA-N 0 0 522.433 4.596 50 0 KJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(Cc1ccccc1)C3 ZINC000020814674 553698936 /nfs/dbraw/zinc/69/89/36/553698936.db2.gz RBJCGCGXEWFMDO-UHFFFAOYSA-N 0 0 505.665 4.720 50 0 KJAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020841625 553699156 /nfs/dbraw/zinc/69/91/56/553699156.db2.gz IIXMNYIBBDKWJC-UHFFFAOYSA-N 0 0 524.397 4.867 50 0 KJAARN COC(=O)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(Cc1ccccc1)C3 ZINC000020842001 553699113 /nfs/dbraw/zinc/69/91/13/553699113.db2.gz QTIRXEXWWOWVCX-UHFFFAOYSA-N 0 0 505.665 4.720 50 0 KJAARN CCOC(=O)CSc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2c(=O)n1CCc1ccccc1 ZINC000020847615 553699124 /nfs/dbraw/zinc/69/91/24/553699124.db2.gz HGRHPUVVGPAODX-UHFFFAOYSA-N 0 0 519.667 4.915 50 0 KJAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(Br)cc4C)CC3)n2)cc1OC ZINC000020847987 553699067 /nfs/dbraw/zinc/69/90/67/553699067.db2.gz OLFVNKVSDOUXSV-UHFFFAOYSA-N 0 0 501.381 4.680 50 0 KJAARN CCn1cc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n(CCc3ccccc3)c(=O)c2n1 ZINC000020848480 553699086 /nfs/dbraw/zinc/69/90/86/553699086.db2.gz SFTIHKLOUDUEAN-UHFFFAOYSA-N 0 0 501.534 4.605 50 0 KJAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccc(N2CCOc3ccc(Cl)cc32)s1 ZINC000020864675 553700683 /nfs/dbraw/zinc/70/06/83/553700683.db2.gz FBEQRCWFIXPAJG-UHFFFAOYSA-N 0 0 501.027 4.623 50 0 KJAARN Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(c1[C@H](c1ccc4c(c1)OCO4)N2)n(C)c(=O)n(C)c3=O ZINC000020898575 553701314 /nfs/dbraw/zinc/70/13/14/553701314.db2.gz IUNLSGHMMWVOHK-VWLOTQADSA-N 0 0 506.562 4.555 50 0 KJAARN Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(c1[C@@H](c1ccc4c(c1)OCO4)N2)n(C)c(=O)n(C)c3=O ZINC000020898576 553701367 /nfs/dbraw/zinc/70/13/67/553701367.db2.gz IUNLSGHMMWVOHK-RUZDIDTESA-N 0 0 506.562 4.555 50 0 KJAARN Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(c1[C@H](c1nc4ccccc4[nH]1)N2)n(C)c(=O)n(C)c3=O ZINC000020898579 553701348 /nfs/dbraw/zinc/70/13/48/553701348.db2.gz NZGZBJXZJQTBQM-XMMPIXPASA-N 0 0 502.578 4.703 50 0 KJAARN Cc1cc2c(cc1C)-n1c(-c3ccccc3)c3c(c1[C@@H](c1nc4ccccc4[nH]1)N2)n(C)c(=O)n(C)c3=O ZINC000020898582 553701296 /nfs/dbraw/zinc/70/12/96/553701296.db2.gz NZGZBJXZJQTBQM-DEOSSOPVSA-N 0 0 502.578 4.703 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c4ccccc4oc3C(=O)N3CCCCCC3)CC2)cc1 ZINC000020900592 553701330 /nfs/dbraw/zinc/70/13/30/553701330.db2.gz PKWSUNQUJOVBEW-UHFFFAOYSA-N 0 0 523.655 4.797 50 0 KJAARN O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1O)Nc1ccc2c(c1)OCO2 ZINC000020903614 553701502 /nfs/dbraw/zinc/70/15/02/553701502.db2.gz SWQAOXWLFPRONQ-XUZZJYLKSA-N 0 0 516.554 4.732 50 0 KJAARN O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1O)Nc1ccc2c(c1)OCO2 ZINC000020903616 553701541 /nfs/dbraw/zinc/70/15/41/553701541.db2.gz SWQAOXWLFPRONQ-ZJSXRUAMSA-N 0 0 516.554 4.732 50 0 KJAARN O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1O)Nc1ccc2c(c1)OCO2 ZINC000020903619 553701526 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4.849 50 0 KJAARN Cc1ccsc1CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 ZINC000021090379 553706308 /nfs/dbraw/zinc/70/63/08/553706308.db2.gz BONBDDMCDDYLQN-CMDGGOBGSA-N 0 0 513.685 4.591 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N(C)CCCc2ccco2)CC1 ZINC000021090383 553706293 /nfs/dbraw/zinc/70/62/93/553706293.db2.gz XKBMGYDVJQSTIF-OUKQBFOZSA-N 0 0 511.644 4.547 50 0 KJAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000021090395 553706266 /nfs/dbraw/zinc/70/62/66/553706266.db2.gz PNPBKDSMNRGKQW-OUKQBFOZSA-N 0 0 513.591 4.731 50 0 KJAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000021090399 553706303 /nfs/dbraw/zinc/70/63/03/553706303.db2.gz UAHGRPVBBCLKGB-ZHACJKMWSA-N 0 0 503.983 4.985 50 0 KJAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CC[C@@H](c3ccccc3)C2)CC1 ZINC000021090413 553706304 /nfs/dbraw/zinc/70/63/04/553706304.db2.gz SJYMOVDECPEBCK-UWHSVAFCSA-N 0 0 523.630 4.709 50 0 KJAARN 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CCOc1ccc(N(C(=O)c2ccc(C)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000021100637 553706683 /nfs/dbraw/zinc/70/66/83/553706683.db2.gz MITCUBXCMFLQIE-UHFFFAOYSA-N 0 0 513.638 4.738 50 0 KJAARN CC(=O)c1cccc(N(C(=O)c2ccc(C)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)c1 ZINC000021100663 553706674 /nfs/dbraw/zinc/70/66/74/553706674.db2.gz NUQLRXGPPWTZLW-UHFFFAOYSA-N 0 0 511.622 4.542 50 0 KJAARN CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(CCC(C)C)C(=O)c2ccc(Br)cc2)CC1 ZINC000021100693 553706659 /nfs/dbraw/zinc/70/66/59/553706659.db2.gz NFFRBJOHTVWWGV-UHFFFAOYSA-N 0 0 528.491 4.635 50 0 KJAARN Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)c(C)c1 ZINC000021114049 553706665 /nfs/dbraw/zinc/70/66/65/553706665.db2.gz ZCLNYNMSBVMGRU-UHFFFAOYSA-N 0 0 523.699 4.731 50 0 KJAARN O=C(Nc1cccc2c1CCCC2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)CC1 ZINC000021114105 553706783 /nfs/dbraw/zinc/70/67/83/553706783.db2.gz VFCKVXLIEAYZLF-UHFFFAOYSA-N 0 0 535.710 4.684 50 0 KJAARN COc1ccc(CNC(=O)c2cccc(-n3cnc4c(sc5nc(C)cc(C)c54)c3=O)c2)cc1OC ZINC000021114717 553706806 /nfs/dbraw/zinc/70/68/06/553706806.db2.gz CZOQNAHBWMULNO-UHFFFAOYSA-N 0 0 500.580 4.559 50 0 KJAARN Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1Cl ZINC000021116372 553706769 /nfs/dbraw/zinc/70/67/69/553706769.db2.gz DTDVEYIOGYBHIE-UHFFFAOYSA-N 0 0 504.052 4.647 50 0 KJAARN COc1ccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)cc1Cl ZINC000021117595 553707026 /nfs/dbraw/zinc/70/70/26/553707026.db2.gz QNOYNZCXEVKELR-UHFFFAOYSA-N 0 0 502.017 4.785 50 0 KJAARN O=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)Nc1cccc(Br)c1 ZINC000021117632 553707075 /nfs/dbraw/zinc/70/70/75/553707075.db2.gz ZOKCBEGNIQAAKO-UHFFFAOYSA-N 0 0 516.442 4.886 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1 ZINC000021117757 553707090 /nfs/dbraw/zinc/70/70/90/553707090.db2.gz WVJCIISDXJBSQP-UHFFFAOYSA-N 0 0 502.017 4.785 50 0 KJAARN O=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000021117788 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Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)Nc3cc(F)cc(F)c3)c2n1 ZINC000021654900 553715560 /nfs/dbraw/zinc/71/55/60/553715560.db2.gz QYYWNHOWMLVOPI-UHFFFAOYSA-N 0 0 507.884 4.992 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)NCc3ccc(F)cc3)c2n1 ZINC000021654928 553715524 /nfs/dbraw/zinc/71/55/24/553715524.db2.gz JFCHHDUMMULFFG-UHFFFAOYSA-N 0 0 503.921 4.531 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)NCCCc3ccccc3)c2n1 ZINC000021654951 553715568 /nfs/dbraw/zinc/71/55/68/553715568.db2.gz XBKWPCARHWEQAM-UHFFFAOYSA-N 0 0 513.985 4.824 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)N3CCc4ccccc4C3)c2n1 ZINC000021654967 553715574 /nfs/dbraw/zinc/71/55/74/553715574.db2.gz UEBXSPWOIKJWFI-UHFFFAOYSA-N 0 0 511.969 4.660 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NCCc3ccc(Cl)cc3)c2n1 ZINC000021655040 553715460 /nfs/dbraw/zinc/71/54/60/553715460.db2.gz XNFOBJWDEPWGAT-UHFFFAOYSA-N 0 0 513.985 4.743 50 0 KJAARN 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Cc1ccc2c(=O)c(-c3nc(-c4cccc(F)c4)no3)cn(CC(=O)NCCc3ccc(Cl)cc3)c2n1 ZINC000021655176 553715741 /nfs/dbraw/zinc/71/57/41/553715741.db2.gz AOYLZTOXDFPSKQ-UHFFFAOYSA-N 0 0 517.948 4.573 50 0 KJAARN COc1ccc(-c2noc(-c3cn(CC(=O)Nc4c(C)cc(C)cc4C)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655188 553715695 /nfs/dbraw/zinc/71/56/95/553715695.db2.gz LWKHVPQYNOQTBI-UHFFFAOYSA-N 0 0 509.566 4.994 50 0 KJAARN COc1ccc(-c2noc(-c3cn(CC(=O)Nc4ccccc4Cl)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655195 553715758 /nfs/dbraw/zinc/71/57/58/553715758.db2.gz CRURQSYPYZHDLF-UHFFFAOYSA-N 0 0 501.930 4.723 50 0 KJAARN COc1ccc(-c2noc(-c3cn(CC(=O)Nc4cccc(Cl)c4)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655198 553715704 /nfs/dbraw/zinc/71/57/04/553715704.db2.gz ZYKCMSHQDAWEEC-UHFFFAOYSA-N 0 0 501.930 4.723 50 0 KJAARN Cc1cccc(-c2noc(-c3cn(CC(=O)NCCc4ccc(Cl)cc4)c4nc(C)ccc4c3=O)n2)c1 ZINC000021655407 553715702 /nfs/dbraw/zinc/71/57/02/553715702.db2.gz ZADLEQRVKMETBZ-UHFFFAOYSA-N 0 0 513.985 4.743 50 0 KJAARN Cc1ccc(-c2noc(-c3cn(CC(=O)NCCc4ccc(Cl)cc4)c4nc(C)ccc4c3=O)n2)cc1 ZINC000021655420 553715746 /nfs/dbraw/zinc/71/57/46/553715746.db2.gz YLXLIWQFBQTTCY-UHFFFAOYSA-N 0 0 513.985 4.743 50 0 KJAARN O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)CC1 ZINC000021716029 553716215 /nfs/dbraw/zinc/71/62/15/553716215.db2.gz AUURZISDSIKTBD-UHFFFAOYSA-N 0 0 527.090 4.596 50 0 KJAARN O=C(CN1CCOCC1)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000021763056 553716560 /nfs/dbraw/zinc/71/65/60/553716560.db2.gz SNRCPPRLWINUIH-AREMUKBSSA-N 0 0 527.024 4.858 50 0 KJAARN O=C(CN1CCOCC1)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000021763058 553716546 /nfs/dbraw/zinc/71/65/46/553716546.db2.gz SNRCPPRLWINUIH-SANMLTNESA-N 0 0 527.024 4.858 50 0 KJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 ZINC000021771852 553716550 /nfs/dbraw/zinc/71/65/50/553716550.db2.gz NKDYZIHPKCBDRQ-UHFFFAOYSA-N 0 0 500.005 4.880 50 0 KJAARN CC(C)OCCCN1C(=O)c2cnn(-c3ccccc3)c2-n2cccc2[C@@H]1C(=O)NC1CCCCCC1 ZINC000021780871 553716548 /nfs/dbraw/zinc/71/65/48/553716548.db2.gz QSAQBWDXGMBHGZ-AREMUKBSSA-N 0 0 503.647 4.814 50 0 KJAARN CC(C)OCCCN1C(=O)c2cnn(-c3ccccc3)c2-n2cccc2[C@H]1C(=O)NC1CCCCCC1 ZINC000021780875 553716551 /nfs/dbraw/zinc/71/65/51/553716551.db2.gz QSAQBWDXGMBHGZ-SANMLTNESA-N 0 0 503.647 4.814 50 0 KJAARN COc1cc2c(cc1OC)n1c(c2NC(C)=O)C(=O)N(CCC(C)C)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000021780905 553716839 /nfs/dbraw/zinc/71/68/39/553716839.db2.gz NEFNGTKFAZCTKB-GDLZYMKVSA-N 0 0 526.678 4.717 50 0 KJAARN COc1cc2c(cc1OC)n1c(c2NC(C)=O)C(=O)N(CCC(C)C)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000021780909 553716754 /nfs/dbraw/zinc/71/67/54/553716754.db2.gz NEFNGTKFAZCTKB-LJAQVGFWSA-N 0 0 526.678 4.717 50 0 KJAARN O=C(COc1ccccc1F)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021796379 553716726 /nfs/dbraw/zinc/71/67/26/553716726.db2.gz VXJNHOGMLUDORZ-UHFFFAOYSA-N 0 0 507.569 4.954 50 0 KJAARN O=C(COc1ccccc1)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796489 553717078 /nfs/dbraw/zinc/71/70/78/553717078.db2.gz SKTOUGIMWZPDBO-UHFFFAOYSA-N 0 0 507.569 4.954 50 0 KJAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000021796558 553717102 /nfs/dbraw/zinc/71/71/02/553717102.db2.gz SQSNXVMZELPCTG-UHFFFAOYSA-N 0 0 519.605 4.824 50 0 KJAARN COc1ccc(NC(=O)CCc2c(C)n(Cc3ccccc3)c3nc(-c4ccccc4)nn3c2=O)c(OC)c1 ZINC000021807337 553717297 /nfs/dbraw/zinc/71/72/97/553717297.db2.gz BKTJODPVGNRJSP-UHFFFAOYSA-N 0 0 523.593 4.503 50 0 KJAARN Cc1cc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(F)cc2)CC3)ccc1Br ZINC000021810351 553717265 /nfs/dbraw/zinc/71/72/65/553717265.db2.gz NVRSLLXPZIFQAL-UHFFFAOYSA-N 0 0 517.424 4.681 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(F)cc2)CC3)c(Br)c1 ZINC000021810358 553717469 /nfs/dbraw/zinc/71/74/69/553717469.db2.gz WLEHBHMXXMZEAU-UHFFFAOYSA-N 0 0 517.424 4.681 50 0 KJAARN CCOc1ccc(CCN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021853980 553717675 /nfs/dbraw/zinc/71/76/75/553717675.db2.gz RSWDFWGSMFDJMX-HKBQPEDESA-N 0 0 508.622 4.722 50 0 KJAARN CCOc1ccc(CCN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021853985 553717641 /nfs/dbraw/zinc/71/76/41/553717641.db2.gz RSWDFWGSMFDJMX-WJOKGBTCSA-N 0 0 508.622 4.722 50 0 KJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(Cl)c1 ZINC000021854126 553717680 /nfs/dbraw/zinc/71/76/80/553717680.db2.gz WDICCGJEHRKBQA-MUUNZHRXSA-N 0 0 500.986 4.948 50 0 KJAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1cccc(Cl)c1 ZINC000021854131 553717654 /nfs/dbraw/zinc/71/76/54/553717654.db2.gz WDICCGJEHRKBQA-NDEPHWFRSA-N 0 0 500.986 4.948 50 0 KJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(Cl)cc1 ZINC000021854136 553717685 /nfs/dbraw/zinc/71/76/85/553717685.db2.gz BXLSPEQVXIGUOT-MUUNZHRXSA-N 0 0 500.986 4.948 50 0 KJAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc(Cl)cc1 ZINC000021854141 553717618 /nfs/dbraw/zinc/71/76/18/553717618.db2.gz BXLSPEQVXIGUOT-NDEPHWFRSA-N 0 0 500.986 4.948 50 0 KJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1Cl ZINC000021854147 553717625 /nfs/dbraw/zinc/71/76/25/553717625.db2.gz FIHCQXCQFYMAPL-GDLZYMKVSA-N 0 0 515.013 4.943 50 0 KJAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccccc1Cl ZINC000021854152 553717628 /nfs/dbraw/zinc/71/76/28/553717628.db2.gz FIHCQXCQFYMAPL-LJAQVGFWSA-N 0 0 515.013 4.943 50 0 KJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000021854156 553717637 /nfs/dbraw/zinc/71/76/37/553717637.db2.gz ZZAOFPDWKUAUKD-GDLZYMKVSA-N 0 0 515.013 4.943 50 0 KJAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000021854161 553717650 /nfs/dbraw/zinc/71/76/50/553717650.db2.gz ZZAOFPDWKUAUKD-LJAQVGFWSA-N 0 0 515.013 4.943 50 0 KJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000021854166 553717647 /nfs/dbraw/zinc/71/76/47/553717647.db2.gz HZHIJXXJFJBHDJ-SSEXGKCCSA-N 0 0 529.040 4.986 50 0 KJAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccccc3)cc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000021854171 553717677 /nfs/dbraw/zinc/71/76/77/553717677.db2.gz HZHIJXXJFJBHDJ-PMERELPUSA-N 0 0 529.040 4.986 50 0 KJAARN CCOc1ccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854257 553717670 /nfs/dbraw/zinc/71/76/70/553717670.db2.gz QYCFTTCABHKCHT-PMERELPUSA-N 0 0 510.594 4.693 50 0 KJAARN CCOc1ccc(N2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854262 553717700 /nfs/dbraw/zinc/71/77/00/553717700.db2.gz QYCFTTCABHKCHT-SSEXGKCCSA-N 0 0 510.594 4.693 50 0 KJAARN CCOc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854475 553717880 /nfs/dbraw/zinc/71/78/80/553717880.db2.gz VEBDJGOBFZWIJI-HKBQPEDESA-N 0 0 524.621 4.689 50 0 KJAARN CCOc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854480 553717921 /nfs/dbraw/zinc/71/79/21/553717921.db2.gz VEBDJGOBFZWIJI-WJOKGBTCSA-N 0 0 524.621 4.689 50 0 KJAARN CCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854495 553717900 /nfs/dbraw/zinc/71/79/00/553717900.db2.gz ZSWADCSHXRQIDH-HKBQPEDESA-N 0 0 508.622 4.852 50 0 KJAARN CCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854500 553717898 /nfs/dbraw/zinc/71/78/98/553717898.db2.gz ZSWADCSHXRQIDH-WJOKGBTCSA-N 0 0 508.622 4.852 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2cccc(C)c2C)C3=O)cc1 ZINC000021854575 553717907 /nfs/dbraw/zinc/71/79/07/553717907.db2.gz XNEFLLXISHOVMM-WJOKGBTCSA-N 0 0 524.621 4.920 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2cccc(C)c2C)C3=O)cc1 ZINC000021854580 553717890 /nfs/dbraw/zinc/71/78/90/553717890.db2.gz XNEFLLXISHOVMM-HKBQPEDESA-N 0 0 524.621 4.920 50 0 KJAARN CCc1ccccc1N1C(=O)c2cc(-c3ccc(OC)cc3)nn2C[C@@]1(C)C(=O)NCc1ccccc1OC ZINC000021854582 553717895 /nfs/dbraw/zinc/71/78/95/553717895.db2.gz MHTOGXMJGXCYEU-HKBQPEDESA-N 0 0 524.621 4.865 50 0 KJAARN CCc1ccccc1N1C(=O)c2cc(-c3ccc(OC)cc3)nn2C[C@]1(C)C(=O)NCc1ccccc1OC ZINC000021854587 553717929 /nfs/dbraw/zinc/71/79/29/553717929.db2.gz MHTOGXMJGXCYEU-WJOKGBTCSA-N 0 0 524.621 4.865 50 0 KJAARN CCc1ccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854592 553717904 /nfs/dbraw/zinc/71/79/04/553717904.db2.gz RXICGKSXKACTMV-HKBQPEDESA-N 0 0 524.621 4.865 50 0 KJAARN CCc1ccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021854596 553717877 /nfs/dbraw/zinc/71/78/77/553717877.db2.gz RXICGKSXKACTMV-WJOKGBTCSA-N 0 0 524.621 4.865 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(Cc2ccc(C)cc2)C3=O)cc1 ZINC000021854612 553717874 /nfs/dbraw/zinc/71/78/74/553717874.db2.gz HUCRNBVZAPWVJR-WJOKGBTCSA-N 0 0 524.621 4.607 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(Cc2ccc(C)cc2)C3=O)cc1 ZINC000021854618 553717936 /nfs/dbraw/zinc/71/79/36/553717936.db2.gz HUCRNBVZAPWVJR-HKBQPEDESA-N 0 0 524.621 4.607 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2ccccc2C)C3=O)cc1 ZINC000021854624 553717927 /nfs/dbraw/zinc/71/79/27/553717927.db2.gz UPPNNMPIFOVKPC-SSEXGKCCSA-N 0 0 510.594 4.611 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2ccccc2C)C3=O)cc1 ZINC000021854629 553717913 /nfs/dbraw/zinc/71/79/13/553717913.db2.gz UPPNNMPIFOVKPC-PMERELPUSA-N 0 0 510.594 4.611 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2cc(C)ccc2C)C3=O)cc1 ZINC000021854633 553717856 /nfs/dbraw/zinc/71/78/56/553717856.db2.gz GCTKOQWMZDBADF-WJOKGBTCSA-N 0 0 524.621 4.920 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2cc(C)ccc2C)C3=O)cc1 ZINC000021854638 553718169 /nfs/dbraw/zinc/71/81/69/553718169.db2.gz GCTKOQWMZDBADF-HKBQPEDESA-N 0 0 524.621 4.920 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)cc2C)C3=O)cc1 ZINC000021854643 553718139 /nfs/dbraw/zinc/71/81/39/553718139.db2.gz ZFMIJKJPDNAESD-WJOKGBTCSA-N 0 0 524.621 4.920 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)cc2C)C3=O)cc1 ZINC000021854648 553718098 /nfs/dbraw/zinc/71/80/98/553718098.db2.gz ZFMIJKJPDNAESD-HKBQPEDESA-N 0 0 524.621 4.920 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)c(C)c2)C3=O)cc1 ZINC000021854663 553718130 /nfs/dbraw/zinc/71/81/30/553718130.db2.gz LIIBJIYACHTTSR-WJOKGBTCSA-N 0 0 524.621 4.920 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)c(C)c2)C3=O)cc1 ZINC000021854668 553718118 /nfs/dbraw/zinc/71/81/18/553718118.db2.gz LIIBJIYACHTTSR-HKBQPEDESA-N 0 0 524.621 4.920 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(Cc2cccc(C)c2)C3=O)cc1 ZINC000021854671 553718142 /nfs/dbraw/zinc/71/81/42/553718142.db2.gz GBQQGWWTUHAXKA-WJOKGBTCSA-N 0 0 524.621 4.607 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(Cc2cccc(C)c2)C3=O)cc1 ZINC000021854677 553718148 /nfs/dbraw/zinc/71/81/48/553718148.db2.gz GBQQGWWTUHAXKA-HKBQPEDESA-N 0 0 524.621 4.607 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2cc(C)cc(C)c2)C3=O)cc1 ZINC000021854692 553718178 /nfs/dbraw/zinc/71/81/78/553718178.db2.gz VNJCQZVIYICQHJ-WJOKGBTCSA-N 0 0 524.621 4.920 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2cc(C)cc(C)c2)C3=O)cc1 ZINC000021854696 553718163 /nfs/dbraw/zinc/71/81/63/553718163.db2.gz VNJCQZVIYICQHJ-HKBQPEDESA-N 0 0 524.621 4.920 50 0 KJAARN CCc1cccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000021854722 553718100 /nfs/dbraw/zinc/71/81/00/553718100.db2.gz IAGQWPIYZAYWOI-HKBQPEDESA-N 0 0 524.621 4.865 50 0 KJAARN CCc1cccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000021854727 553718182 /nfs/dbraw/zinc/71/81/82/553718182.db2.gz IAGQWPIYZAYWOI-WJOKGBTCSA-N 0 0 524.621 4.865 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(CCC2=CCCCC2)C3=O)cc1 ZINC000021854732 553718145 /nfs/dbraw/zinc/71/81/45/553718145.db2.gz DEIZVHGUERQUJU-WJOKGBTCSA-N 0 0 528.653 4.989 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(CCC2=CCCCC2)C3=O)cc1 ZINC000021854737 553718154 /nfs/dbraw/zinc/71/81/54/553718154.db2.gz DEIZVHGUERQUJU-HKBQPEDESA-N 0 0 528.653 4.989 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(F)cc2C)C3=O)cc1 ZINC000021854752 553718151 /nfs/dbraw/zinc/71/81/51/553718151.db2.gz LUMZXFIIHSSLCW-SSEXGKCCSA-N 0 0 528.584 4.750 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(F)cc2C)C3=O)cc1 ZINC000021854756 553718106 /nfs/dbraw/zinc/71/81/06/553718106.db2.gz LUMZXFIIHSSLCW-PMERELPUSA-N 0 0 528.584 4.750 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)cc2)C3=O)cc1 ZINC000021854761 553718175 /nfs/dbraw/zinc/71/81/75/553718175.db2.gz LXQBVAGFXVEKTN-SSEXGKCCSA-N 0 0 510.594 4.611 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)cc2)C3=O)cc1 ZINC000021854767 553718172 /nfs/dbraw/zinc/71/81/72/553718172.db2.gz LXQBVAGFXVEKTN-PMERELPUSA-N 0 0 510.594 4.611 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(Cc2ccccc2C)C3=O)cc1 ZINC000021854790 553718124 /nfs/dbraw/zinc/71/81/24/553718124.db2.gz GDMGVAFNGRYXOY-WJOKGBTCSA-N 0 0 524.621 4.607 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(Cc2ccccc2C)C3=O)cc1 ZINC000021854795 553718103 /nfs/dbraw/zinc/71/81/03/553718103.db2.gz GDMGVAFNGRYXOY-HKBQPEDESA-N 0 0 524.621 4.607 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000021854861 553718157 /nfs/dbraw/zinc/71/81/57/553718157.db2.gz JTLFTHBROGBGNM-MUUNZHRXSA-N 0 0 500.986 4.948 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000021854866 553718379 /nfs/dbraw/zinc/71/83/79/553718379.db2.gz JTLFTHBROGBGNM-NDEPHWFRSA-N 0 0 500.986 4.948 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(Cc2ccccc2Cl)C3=O)cc1 ZINC000021854870 553718350 /nfs/dbraw/zinc/71/83/50/553718350.db2.gz FXJSTLAFIVMFSS-GDLZYMKVSA-N 0 0 515.013 4.943 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(Cc2ccccc2Cl)C3=O)cc1 ZINC000021854875 553718335 /nfs/dbraw/zinc/71/83/35/553718335.db2.gz FXJSTLAFIVMFSS-LJAQVGFWSA-N 0 0 515.013 4.943 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000021854879 553718392 /nfs/dbraw/zinc/71/83/92/553718392.db2.gz SQJYEMNWRRLJMP-GDLZYMKVSA-N 0 0 515.013 4.943 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000021854884 553718414 /nfs/dbraw/zinc/71/84/14/553718414.db2.gz SQJYEMNWRRLJMP-LJAQVGFWSA-N 0 0 515.013 4.943 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(CCc2ccc(Cl)cc2)C3=O)cc1 ZINC000021854889 553718332 /nfs/dbraw/zinc/71/83/32/553718332.db2.gz XIWOPBSCSYODHQ-SSEXGKCCSA-N 0 0 529.040 4.986 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(CCc2ccc(Cl)cc2)C3=O)cc1 ZINC000021854895 553718364 /nfs/dbraw/zinc/71/83/64/553718364.db2.gz XIWOPBSCSYODHQ-PMERELPUSA-N 0 0 529.040 4.986 50 0 KJAARN CCOc1ccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021854979 553718343 /nfs/dbraw/zinc/71/83/43/553718343.db2.gz XZURGWWIBBEQFP-PMERELPUSA-N 0 0 510.594 4.693 50 0 KJAARN CCOc1ccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021854984 553718377 /nfs/dbraw/zinc/71/83/77/553718377.db2.gz XZURGWWIBBEQFP-SSEXGKCCSA-N 0 0 510.594 4.693 50 0 KJAARN CCOc1ccc(CN2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021855157 553718406 /nfs/dbraw/zinc/71/84/06/553718406.db2.gz VYBAPFCOUUDJPN-HKBQPEDESA-N 0 0 524.621 4.689 50 0 KJAARN CCOc1ccc(CN2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021855161 553718382 /nfs/dbraw/zinc/71/83/82/553718382.db2.gz VYBAPFCOUUDJPN-WJOKGBTCSA-N 0 0 524.621 4.689 50 0 KJAARN CCCSCCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021855166 553718352 /nfs/dbraw/zinc/71/83/52/553718352.db2.gz NBNBKKZMPNWYBD-NDEPHWFRSA-N 0 0 506.672 4.623 50 0 KJAARN CCCSCCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021855171 553718401 /nfs/dbraw/zinc/71/84/01/553718401.db2.gz NBNBKKZMPNWYBD-MUUNZHRXSA-N 0 0 506.672 4.623 50 0 KJAARN CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1OC ZINC000021859044 553718733 /nfs/dbraw/zinc/71/87/33/553718733.db2.gz GQDUKEIMDXZHOZ-HKBQPEDESA-N 0 0 527.621 4.788 50 0 KJAARN CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1OC ZINC000021859049 553718624 /nfs/dbraw/zinc/71/86/24/553718624.db2.gz GQDUKEIMDXZHOZ-WJOKGBTCSA-N 0 0 527.621 4.788 50 0 KJAARN CCOc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021859096 553718717 /nfs/dbraw/zinc/71/87/17/553718717.db2.gz ZOUOOABMKBJSSI-HKBQPEDESA-N 0 0 511.622 4.822 50 0 KJAARN CCOc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000021859099 553718705 /nfs/dbraw/zinc/71/87/05/553718705.db2.gz ZOUOOABMKBJSSI-WJOKGBTCSA-N 0 0 511.622 4.822 50 0 KJAARN CCOc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCCC(C)C)N(Cc2ccc(OC)cc2)C3=O)cc1 ZINC000021862888 553718663 /nfs/dbraw/zinc/71/86/63/553718663.db2.gz WNKMGDDTBPWEJX-GDLZYMKVSA-N 0 0 504.631 4.534 50 0 KJAARN CCOc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCCC(C)C)N(Cc2ccc(OC)cc2)C3=O)cc1 ZINC000021862892 553718702 /nfs/dbraw/zinc/71/87/02/553718702.db2.gz WNKMGDDTBPWEJX-LJAQVGFWSA-N 0 0 504.631 4.534 50 0 KJAARN C[C@@]1(C(=O)NCc2ccc(Cl)cc2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021865595 553718687 /nfs/dbraw/zinc/71/86/87/553718687.db2.gz OXVTVIBSQFPPHA-NDEPHWFRSA-N 0 0 517.969 4.861 50 0 KJAARN C[C@]1(C(=O)NCc2ccc(Cl)cc2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000021865599 553718708 /nfs/dbraw/zinc/71/87/08/553718708.db2.gz OXVTVIBSQFPPHA-MUUNZHRXSA-N 0 0 517.969 4.861 50 0 KJAARN Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3cc(C)ccc3C)C2)n1 ZINC000021881976 553720220 /nfs/dbraw/zinc/72/02/20/553720220.db2.gz MKSWVDCJTMLSHG-SQUSKLHYSA-N 0 0 500.646 4.575 50 0 KJAARN Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3cc(C)ccc3C)C2)n1 ZINC000021881977 553720210 /nfs/dbraw/zinc/72/02/10/553720210.db2.gz MKSWVDCJTMLSHG-XTXLJPNXSA-N 0 0 500.646 4.575 50 0 KJAARN Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)n1 ZINC000021881978 553720197 /nfs/dbraw/zinc/72/01/97/553720197.db2.gz KVRRNPRQLOWXKT-NDDJGDGRSA-N 0 0 514.673 4.883 50 0 KJAARN Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)n1 ZINC000021881979 553720153 /nfs/dbraw/zinc/72/01/53/553720153.db2.gz KVRRNPRQLOWXKT-IBDYFIJFSA-N 0 0 514.673 4.883 50 0 KJAARN Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)c2)no1 ZINC000021882835 553720480 /nfs/dbraw/zinc/72/04/80/553720480.db2.gz WREPEWPIYQHYIB-MRXNPFEDSA-N 0 0 509.415 4.700 50 0 KJAARN Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)c2)no1 ZINC000021882836 553720441 /nfs/dbraw/zinc/72/04/41/553720441.db2.gz WREPEWPIYQHYIB-INIZCTEOSA-N 0 0 509.415 4.700 50 0 KJAARN Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)c2)no1 ZINC000021882845 553720831 /nfs/dbraw/zinc/72/08/31/553720831.db2.gz WBJGHGQHGMZWQK-LJQANCHMSA-N 0 0 503.024 4.861 50 0 KJAARN Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)c2)no1 ZINC000021882846 553720817 /nfs/dbraw/zinc/72/08/17/553720817.db2.gz WBJGHGQHGMZWQK-IBGZPJMESA-N 0 0 503.024 4.861 50 0 KJAARN COc1cccc(Cn2c(C)c(C3=CCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)c3ccccc32)c1 ZINC000021885533 553720764 /nfs/dbraw/zinc/72/07/64/553720764.db2.gz CJRJMHXWNJPNFY-UHFFFAOYSA-N 0 0 504.656 4.835 50 0 KJAARN COc1ccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@@H]2C(=O)NCc2ccccc2)cc1OC ZINC000021911921 553721018 /nfs/dbraw/zinc/72/10/18/553721018.db2.gz BKLXMXIDLYYNEQ-AREMUKBSSA-N 0 0 501.608 4.692 50 0 KJAARN COc1ccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCc2ccccc2)cc1OC ZINC000021911923 553720958 /nfs/dbraw/zinc/72/09/58/553720958.db2.gz BKLXMXIDLYYNEQ-SANMLTNESA-N 0 0 501.608 4.692 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000021912049 553720996 /nfs/dbraw/zinc/72/09/96/553720996.db2.gz AYGANNZZOMUIFR-AREMUKBSSA-N 0 0 513.619 4.851 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000021912052 553721050 /nfs/dbraw/zinc/72/10/50/553721050.db2.gz AYGANNZZOMUIFR-SANMLTNESA-N 0 0 513.619 4.851 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccccc1OC ZINC000021912152 553721062 /nfs/dbraw/zinc/72/10/62/553721062.db2.gz KPWGUZMFMXUCIF-AREMUKBSSA-N 0 0 501.608 4.692 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccccc1OC ZINC000021912155 553721038 /nfs/dbraw/zinc/72/10/38/553721038.db2.gz KPWGUZMFMXUCIF-SANMLTNESA-N 0 0 501.608 4.692 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccc(F)cc1F ZINC000021912174 553721014 /nfs/dbraw/zinc/72/10/14/553721014.db2.gz UPRJJBWIMHWCNJ-RUZDIDTESA-N 0 0 507.562 4.962 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccc(F)cc1F ZINC000021912178 553721023 /nfs/dbraw/zinc/72/10/23/553721023.db2.gz UPRJJBWIMHWCNJ-VWLOTQADSA-N 0 0 507.562 4.962 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1cc(F)ccc1F ZINC000021912272 553721260 /nfs/dbraw/zinc/72/12/60/553721260.db2.gz LIVVKPCSKJTOKR-RUZDIDTESA-N 0 0 507.562 4.962 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1cc(F)ccc1F ZINC000021912276 553721345 /nfs/dbraw/zinc/72/13/45/553721345.db2.gz LIVVKPCSKJTOKR-VWLOTQADSA-N 0 0 507.562 4.962 50 0 KJAARN COc1ccc(Cl)cc1N1C(=O)CSc2c(c3ccccc3n2C)[C@@H]1C(=O)NCCCOC(C)C ZINC000021912356 553721341 /nfs/dbraw/zinc/72/13/41/553721341.db2.gz BGJJQPUWXDYJJN-XMMPIXPASA-N 0 0 516.063 4.952 50 0 KJAARN COc1ccc(Cl)cc1N1C(=O)CSc2c(c3ccccc3n2C)[C@H]1C(=O)NCCCOC(C)C ZINC000021912360 553721318 /nfs/dbraw/zinc/72/13/18/553721318.db2.gz BGJJQPUWXDYJJN-DEOSSOPVSA-N 0 0 516.063 4.952 50 0 KJAARN CC(C)OCCCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1CCc1ccc(Cl)cc1 ZINC000021912463 553721350 /nfs/dbraw/zinc/72/13/50/553721350.db2.gz GGAJHAKNHMBRLW-RUZDIDTESA-N 0 0 514.091 4.981 50 0 KJAARN CC(C)OCCCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1CCc1ccc(Cl)cc1 ZINC000021912468 553721352 /nfs/dbraw/zinc/72/13/52/553721352.db2.gz GGAJHAKNHMBRLW-VWLOTQADSA-N 0 0 514.091 4.981 50 0 KJAARN COc1ccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@@H]2C(=O)NCc2ccc(F)cc2)cc1OC ZINC000021912681 553721316 /nfs/dbraw/zinc/72/13/16/553721316.db2.gz PFPASAWBDAGMOR-AREMUKBSSA-N 0 0 519.598 4.831 50 0 KJAARN COc1ccc(N2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCc2ccc(F)cc2)cc1OC ZINC000021912684 553721331 /nfs/dbraw/zinc/72/13/31/553721331.db2.gz PFPASAWBDAGMOR-SANMLTNESA-N 0 0 519.598 4.831 50 0 KJAARN COc1ccc(OC)c(N2C(=O)CSc3c(c4ccccc4n3C)[C@@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000021912706 553721557 /nfs/dbraw/zinc/72/15/57/553721557.db2.gz RCTANSHKWZIXLG-AREMUKBSSA-N 0 0 519.598 4.831 50 0 KJAARN COc1ccc(OC)c(N2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000021912709 553721574 /nfs/dbraw/zinc/72/15/74/553721574.db2.gz RCTANSHKWZIXLG-SANMLTNESA-N 0 0 519.598 4.831 50 0 KJAARN Cn1c2ccccc2c2c1SCC(=O)N(c1ccc3c(c1)OCO3)[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000021912802 553721569 /nfs/dbraw/zinc/72/15/69/553721569.db2.gz QKCVQKKZRMDAJS-RUZDIDTESA-N 0 0 503.555 4.543 50 0 KJAARN Cn1c2ccccc2c2c1SCC(=O)N(c1ccc3c(c1)OCO3)[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000021912806 553721551 /nfs/dbraw/zinc/72/15/51/553721551.db2.gz QKCVQKKZRMDAJS-VWLOTQADSA-N 0 0 503.555 4.543 50 0 KJAARN COc1cc(OC)cc(N2C(=O)CSc3c(c4ccccc4n3C)[C@@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000021912810 553721511 /nfs/dbraw/zinc/72/15/11/553721511.db2.gz APQCJCAZQCRJJB-AREMUKBSSA-N 0 0 519.598 4.831 50 0 KJAARN COc1cc(OC)cc(N2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCc2ccc(F)cc2)c1 ZINC000021912813 553721591 /nfs/dbraw/zinc/72/15/91/553721591.db2.gz APQCJCAZQCRJJB-SANMLTNESA-N 0 0 519.598 4.831 50 0 KJAARN COc1cc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N32)cc(OC)c1 ZINC000021937396 553722297 /nfs/dbraw/zinc/72/22/97/553722297.db2.gz ZHEKJSQOQLYPCU-MWTRTKDXSA-N 0 0 500.580 4.795 50 0 KJAARN COc1cc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N32)cc(OC)c1 ZINC000021937400 553722267 /nfs/dbraw/zinc/72/22/67/553722267.db2.gz ZHEKJSQOQLYPCU-HJPURHCSSA-N 0 0 500.580 4.795 50 0 KJAARN COc1cc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N32)cc(OC)c1 ZINC000021937404 553722259 /nfs/dbraw/zinc/72/22/59/553722259.db2.gz ZHEKJSQOQLYPCU-WAIKUNEKSA-N 0 0 500.580 4.795 50 0 KJAARN COc1cc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N32)cc(OC)c1 ZINC000021937408 553722364 /nfs/dbraw/zinc/72/23/64/553722364.db2.gz ZHEKJSQOQLYPCU-QMHKHESXSA-N 0 0 500.580 4.795 50 0 KJAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000021940225 553722249 /nfs/dbraw/zinc/72/22/49/553722249.db2.gz YXJWCTVHMBWCEE-LJQANCHMSA-N 0 0 502.434 4.946 50 0 KJAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000021940228 553722334 /nfs/dbraw/zinc/72/23/34/553722334.db2.gz YXJWCTVHMBWCEE-IBGZPJMESA-N 0 0 502.434 4.946 50 0 KJAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc(OC)c1OC ZINC000022017520 553722925 /nfs/dbraw/zinc/72/29/25/553722925.db2.gz UBARRXXIBVZBJQ-OFVILXPXSA-N 0 0 505.640 4.970 50 0 KJAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc(OC)c1OC ZINC000022017522 553722942 /nfs/dbraw/zinc/72/29/42/553722942.db2.gz UBARRXXIBVZBJQ-SQJMNOBHSA-N 0 0 505.640 4.970 50 0 KJAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc(OC)c1OC ZINC000022017526 553722809 /nfs/dbraw/zinc/72/28/09/553722809.db2.gz UBARRXXIBVZBJQ-BWKNWUBXSA-N 0 0 505.640 4.970 50 0 KJAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc(OC)c1OC ZINC000022017530 553723011 /nfs/dbraw/zinc/72/30/11/553723011.db2.gz UBARRXXIBVZBJQ-PXDATVDWSA-N 0 0 505.640 4.970 50 0 KJAARN COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000022029984 553722900 /nfs/dbraw/zinc/72/29/00/553722900.db2.gz GFNIETNOGBZEOO-UHFFFAOYSA-N 0 0 524.668 4.548 50 0 KJAARN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000022067501 553725413 /nfs/dbraw/zinc/72/54/13/553725413.db2.gz OGNYUTNQZVRGMN-UHFFFAOYSA-N 0 0 513.598 4.735 50 0 in-vivo KJAARN COc1cc(OC)c(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1Br ZINC000022077911 1066201819 /nfs/dbraw/zinc/20/18/19/1066201819.db2.gz SOLXHUQULWWQRY-DEOSSOPVSA-N 0 0 508.420 4.972 50 0 KJAARN COc1cc(OC)c(CN(C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1Br ZINC000022077914 1066201768 /nfs/dbraw/zinc/20/17/68/1066201768.db2.gz SOLXHUQULWWQRY-XMMPIXPASA-N 0 0 508.420 4.972 50 0 KJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)cc1 ZINC000022089455 553725772 /nfs/dbraw/zinc/72/57/72/553725772.db2.gz HTXBJSVXMYBDTL-SANMLTNESA-N 0 0 511.651 4.919 50 0 KJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)cc1 ZINC000022089459 553725854 /nfs/dbraw/zinc/72/58/54/553725854.db2.gz HTXBJSVXMYBDTL-AREMUKBSSA-N 0 0 511.651 4.919 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000022118549 553727129 /nfs/dbraw/zinc/72/71/29/553727129.db2.gz PWPHWLGMIPDSPH-HSZRJFAPSA-N 0 0 509.653 4.729 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000022118553 553727073 /nfs/dbraw/zinc/72/70/73/553727073.db2.gz PWPHWLGMIPDSPH-QHCPKHFHSA-N 0 0 509.653 4.729 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000022118566 553727108 /nfs/dbraw/zinc/72/71/08/553727108.db2.gz AASLQLXTTNJIRI-OAQYLSRUSA-N 0 0 500.045 4.984 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000022118570 553727149 /nfs/dbraw/zinc/72/71/49/553727149.db2.gz AASLQLXTTNJIRI-NRFANRHFSA-N 0 0 500.045 4.984 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccc(Br)o2)cc1 ZINC000022171412 1066202486 /nfs/dbraw/zinc/20/24/86/1066202486.db2.gz VZEJWORSEGUUFQ-XMHGGMMESA-N 0 0 513.344 4.637 50 0 KJAARN COC(=O)c1cccc(NC(=O)/C(=C\c2ccc(OC)cc2)NC(=O)c2ccc(Br)cc2)c1 ZINC000022184661 553727350 /nfs/dbraw/zinc/72/73/50/553727350.db2.gz ODAONHIXFKFGJH-HYARGMPZSA-N 0 0 509.356 4.654 50 0 KJAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022184918 553727409 /nfs/dbraw/zinc/72/74/09/553727409.db2.gz MFZLVGPQDJETCJ-UHFFFAOYSA-N 0 0 519.417 4.609 50 0 KJAARN COc1cc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)ccc1OCCC(C)C ZINC000022258419 553733764 /nfs/dbraw/zinc/73/37/64/553733764.db2.gz XMTCCRMBUQOZBX-MOSHPQCFSA-N 0 0 500.418 4.562 50 0 KJAARN COC(=O)CCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C(C)(C)C)cc3)co2)CC1 ZINC000022333340 553737679 /nfs/dbraw/zinc/73/76/79/553737679.db2.gz SANOMMDHONJOSP-UHFFFAOYSA-N 0 0 526.674 4.674 50 0 KJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000022334707 553737635 /nfs/dbraw/zinc/73/76/35/553737635.db2.gz HJTRQBWNUYJQJJ-SSEPRJSISA-N 0 0 531.093 4.994 50 0 KJAARN O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000022409611 553738592 /nfs/dbraw/zinc/73/85/92/553738592.db2.gz VWPBVMQTQUSAAW-UHFFFAOYSA-N 0 0 509.517 4.810 50 0 KJAARN CCc1nnc2sc(-c3ccc(CNC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3)nn12 ZINC000022433524 553742253 /nfs/dbraw/zinc/74/22/53/553742253.db2.gz QITBUYGLXBMRPW-UHFFFAOYSA-N 0 0 500.422 4.652 50 0 KJAARN O=C1CS[C@@]2(c3ccccc3N(CN3CCN(Cc4ccccc4)CC3)C2=O)N1c1ccc(Br)cc1 ZINC000022574685 553747291 /nfs/dbraw/zinc/74/72/91/553747291.db2.gz OXBSQKKJLYPWFW-MUUNZHRXSA-N 0 0 563.521 4.504 50 0 KJAARN CCOC(=O)c1c2cc(OC)ccc2oc1CN1CCN(Cc2oc3ccc(OC)cc3c2C(=O)OCC)CC1 ZINC000022576017 553747306 /nfs/dbraw/zinc/74/73/06/553747306.db2.gz XOEDAYKYVMEMSY-UHFFFAOYSA-N 0 0 550.608 4.867 50 0 KJAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCc4cccc(Cl)c4)CC3)c2=O)cc1 ZINC000022585541 553747546 /nfs/dbraw/zinc/74/75/46/553747546.db2.gz SQFBSLYVJPVXQH-UHFFFAOYSA-N 0 0 501.030 4.939 50 0 KJAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)c2=O)cc1 ZINC000022585545 553747610 /nfs/dbraw/zinc/74/76/10/553747610.db2.gz LKMQOSVRBKUSLB-UHFFFAOYSA-N 0 0 501.030 4.939 50 0 KJAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)c2=O)cc1 ZINC000022599752 553747826 /nfs/dbraw/zinc/74/78/26/553747826.db2.gz FKGZCZXSKWLHGP-HSZRJFAPSA-N 0 0 501.030 4.939 50 0 KJAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)c2=O)cc1 ZINC000022599755 553747897 /nfs/dbraw/zinc/74/78/97/553747897.db2.gz FKGZCZXSKWLHGP-QHCPKHFHSA-N 0 0 501.030 4.939 50 0 KJAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)c2=O)cc1 ZINC000022599758 553747945 /nfs/dbraw/zinc/74/79/45/553747945.db2.gz MILVPAUMQYUIJP-HSZRJFAPSA-N 0 0 501.030 4.939 50 0 KJAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)c2=O)cc1 ZINC000022599761 553747870 /nfs/dbraw/zinc/74/78/70/553747870.db2.gz MILVPAUMQYUIJP-QHCPKHFHSA-N 0 0 501.030 4.939 50 0 KJAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)c2=O)cc1 ZINC000022599764 553747793 /nfs/dbraw/zinc/74/77/93/553747793.db2.gz SUPRFTDVNLFMHR-HSZRJFAPSA-N 0 0 501.030 4.939 50 0 KJAARN Cc1ccc(Cn2c3ccccc3nc(N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)c2=O)cc1 ZINC000022599767 553747943 /nfs/dbraw/zinc/74/79/43/553747943.db2.gz SUPRFTDVNLFMHR-QHCPKHFHSA-N 0 0 501.030 4.939 50 0 KJAARN O=C(CCc1ccccc1)N1CCN(Cc2cc(=O)c(OCc3ccc(C(F)(F)F)cc3)co2)CC1 ZINC000022650673 553748721 /nfs/dbraw/zinc/74/87/21/553748721.db2.gz NGQUAUJEJFEVMN-UHFFFAOYSA-N 0 0 500.517 4.515 50 0 KJAARN CCOC(=O)CCC(=O)N1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022661272 553748690 /nfs/dbraw/zinc/74/86/90/553748690.db2.gz MUPFBMCCWHHMBS-UHFFFAOYSA-N 0 0 507.458 4.977 50 0 KJAARN Cc1cc(C)cc(COc2coc(CN3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)cc2=O)c1 ZINC000022665998 553749222 /nfs/dbraw/zinc/74/92/22/553749222.db2.gz NDKZRKFIIAYDQY-UHFFFAOYSA-N 0 0 500.517 4.812 50 0 KJAARN COC(=O)CCCCC(=O)N1CCN(C[C@@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000022668235 553749199 /nfs/dbraw/zinc/74/91/99/553749199.db2.gz JVQJAXSRSBFTJI-XMMPIXPASA-N 0 0 508.993 4.754 50 0 KJAARN COC(=O)CCCCC(=O)N1CCN(C[C@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000022668238 553749144 /nfs/dbraw/zinc/74/91/44/553749144.db2.gz JVQJAXSRSBFTJI-DEOSSOPVSA-N 0 0 508.993 4.754 50 0 KJAARN CCOC(=O)CCCC(=O)N1CCN(C[C@@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000022668879 553749244 /nfs/dbraw/zinc/74/92/44/553749244.db2.gz ZBVNOONTUYJZHS-XMMPIXPASA-N 0 0 508.993 4.754 50 0 KJAARN CCOC(=O)CCCC(=O)N1CCN(C[C@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000022668883 553749220 /nfs/dbraw/zinc/74/92/20/553749220.db2.gz ZBVNOONTUYJZHS-DEOSSOPVSA-N 0 0 508.993 4.754 50 0 KJAARN 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COC(=O)CCC(=O)N1CCN(C[C@@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000022674774 553749487 /nfs/dbraw/zinc/74/94/87/553749487.db2.gz NWBINFAQTVYJCN-JOCHJYFZSA-N 0 0 512.956 4.714 50 0 KJAARN COC(=O)CCC(=O)N1CCN(C[C@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000022674778 553749384 /nfs/dbraw/zinc/74/93/84/553749384.db2.gz NWBINFAQTVYJCN-QFIPXVFZSA-N 0 0 512.956 4.714 50 0 KJAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000022790391 553750247 /nfs/dbraw/zinc/75/02/47/553750247.db2.gz KUZQVWKNXJKBNL-MHZLTWQESA-N 0 0 541.692 4.541 50 0 KJAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000022790397 553750293 /nfs/dbraw/zinc/75/02/93/553750293.db2.gz KUZQVWKNXJKBNL-HHHXNRCGSA-N 0 0 541.692 4.541 50 0 KJAARN Cc1[nH]nc2c1[C@H](c1cnn(C)c1)c1c3nc(-c4ccc(COc5ccc(F)cc5)cc4)nn3cnc1O2 ZINC000022832742 553755731 /nfs/dbraw/zinc/75/57/31/553755731.db2.gz KLJZIAHPFWCRSK-QFIPXVFZSA-N 0 0 508.517 4.560 50 0 KJAARN 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COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000023182131 553771359 /nfs/dbraw/zinc/77/13/59/553771359.db2.gz LPCCNQLHTMODIV-MHECFPHRSA-N 0 0 506.093 4.640 50 0 KJAARN CCOc1ccc(CCNC=C2c3ccccc3C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1OCC ZINC000023295836 1066209186 /nfs/dbraw/zinc/20/91/86/1066209186.db2.gz WUMCNIUXTSBUOF-XHPQRKPJSA-N 0 0 500.595 4.848 50 0 KJAARN CC(=O)O[C@@H](C)C(=O)N1CCN(C[C@@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000023304681 553771878 /nfs/dbraw/zinc/77/18/78/553771878.db2.gz VVZSLZAYAMFMTA-GAJHUEQPSA-N 0 0 512.956 4.713 50 0 KJAARN CC(=O)O[C@@H](C)C(=O)N1CCN(C[C@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000023304683 553772014 /nfs/dbraw/zinc/77/20/14/553772014.db2.gz VVZSLZAYAMFMTA-SBUREZEXSA-N 0 0 512.956 4.713 50 0 KJAARN Cc1cc(C)cc(COc2coc(CN3CCN(C(=O)c4ccc(F)c(C(F)(F)F)c4)CC3)cc2=O)c1 ZINC000023304800 553772023 /nfs/dbraw/zinc/77/20/23/553772023.db2.gz UUVIRCFSSCXVQT-UHFFFAOYSA-N 0 0 518.507 4.952 50 0 KJAARN CC(=O)Nc1ccc(C(=O)N2CCCN(Cc3cc(=O)c(OCc4ccc(C(C)(C)C)cc4)co3)CC2)cc1 ZINC000023304894 553771963 /nfs/dbraw/zinc/77/19/63/553771963.db2.gz WKQIDRDMMAYRGE-UHFFFAOYSA-N 0 0 531.653 4.823 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)NCC3CCCCC3)CC2)c2cccc(OC)c2)cc1 ZINC000023305844 553772316 /nfs/dbraw/zinc/77/23/16/553772316.db2.gz ZMPIDMCUMMDZOI-NDEPHWFRSA-N 0 0 523.674 4.647 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)NCC3CCCCC3)CC2)c2cccc(OC)c2)cc1 ZINC000023305846 553772226 /nfs/dbraw/zinc/77/22/26/553772226.db2.gz ZMPIDMCUMMDZOI-MUUNZHRXSA-N 0 0 523.674 4.647 50 0 KJAARN COc1ccc(C(=O)N2CCCN(Cc3cc(=O)c(OCc4ccc(C(C)(C)C)cc4)co3)CC2)cc1OC ZINC000023307685 553772309 /nfs/dbraw/zinc/77/23/09/553772309.db2.gz UYELDPGNXOMLDG-UHFFFAOYSA-N 0 0 534.653 4.882 50 0 KJAARN Cc1cc(C)cc(COc2coc(CN3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)cc2=O)c1 ZINC000023321207 553772869 /nfs/dbraw/zinc/77/28/69/553772869.db2.gz HYBDSPYVUNXGIV-UHFFFAOYSA-N 0 0 524.683 4.576 50 0 KJAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000023326710 553773065 /nfs/dbraw/zinc/77/30/65/553773065.db2.gz VFJZEMZNHVZILW-UHFFFAOYSA-N 0 0 514.624 4.522 50 0 KJAARN COc1cccc(CO[C@@H](CN2CCN(C(=O)COCc3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000023335103 553773875 /nfs/dbraw/zinc/77/38/75/553773875.db2.gz LBRWTLBDCJFVOM-NDEPHWFRSA-N 0 0 509.046 4.968 50 0 KJAARN COc1cccc(CO[C@H](CN2CCN(C(=O)COCc3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000023335104 553773845 /nfs/dbraw/zinc/77/38/45/553773845.db2.gz LBRWTLBDCJFVOM-MUUNZHRXSA-N 0 0 509.046 4.968 50 0 KJAARN COc1cccc([C@@H](CN2CCN(C(=O)COCc3ccccc3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023335487 553773860 /nfs/dbraw/zinc/77/38/60/553773860.db2.gz MRHHRUQTXFOXLH-MUUNZHRXSA-N 0 0 509.046 4.968 50 0 KJAARN COc1cccc([C@H](CN2CCN(C(=O)COCc3ccccc3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023335488 553773790 /nfs/dbraw/zinc/77/37/90/553773790.db2.gz MRHHRUQTXFOXLH-NDEPHWFRSA-N 0 0 509.046 4.968 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c1 ZINC000023336269 553774097 /nfs/dbraw/zinc/77/40/97/553774097.db2.gz KUMUYTQOKWQBMD-UHFFFAOYSA-N 0 0 534.122 4.540 50 0 KJAARN CCn1nc(C)c(Br)c1C(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023336609 553774400 /nfs/dbraw/zinc/77/44/00/553774400.db2.gz PYBVLWRSUGCVSH-UHFFFAOYSA-N 0 0 511.464 4.538 50 0 KJAARN O=C(NC1c2ccccc2-c2ccccc21)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)[nH]c1=O ZINC000023338745 1066234496 /nfs/dbraw/zinc/23/44/96/1066234496.db2.gz JOIQZCCUFQXIQC-UHFFFAOYSA-N 0 0 511.025 4.850 50 0 KJAARN CCOc1ccccc1N1CCN(Cc2ccc(C(=O)N[C@@H](C)c3cccc4ccccc43)c(=O)[nH]2)CC1 ZINC000023340546 1066235022 /nfs/dbraw/zinc/23/50/22/1066235022.db2.gz ZJDDSODOESXWOT-QFIPXVFZSA-N 0 0 510.638 4.740 50 0 KJAARN CCOc1ccccc1N1CCN(Cc2ccc(C(=O)N[C@H](C)c3cccc4ccccc43)c(=O)[nH]2)CC1 ZINC000023340549 1066235242 /nfs/dbraw/zinc/23/52/42/1066235242.db2.gz ZJDDSODOESXWOT-JOCHJYFZSA-N 0 0 510.638 4.740 50 0 KJAARN O=C(/C=C/c1cccs1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000023373823 1066254718 /nfs/dbraw/zinc/25/47/18/1066254718.db2.gz FLXNHNRLCXAVHW-CMDGGOBGSA-N 0 0 502.684 4.544 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023428067 553775356 /nfs/dbraw/zinc/77/53/56/553775356.db2.gz QEXCTNSNTJSOSD-MHZLTWQESA-N 0 0 507.030 4.771 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023428071 553775331 /nfs/dbraw/zinc/77/53/31/553775331.db2.gz QEXCTNSNTJSOSD-HHHXNRCGSA-N 0 0 507.030 4.771 50 0 KJAARN CCCCOCCOCC(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000023431186 553775639 /nfs/dbraw/zinc/77/56/39/553775639.db2.gz FUPFVOVAAJVZLM-UHFFFAOYSA-N 0 0 513.038 4.535 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)CCc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023432235 553776035 /nfs/dbraw/zinc/77/60/35/553776035.db2.gz RZJQOXJPIOYEAJ-LJAQVGFWSA-N 0 0 516.638 4.517 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)CCc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023432239 553775951 /nfs/dbraw/zinc/77/59/51/553775951.db2.gz RZJQOXJPIOYEAJ-GDLZYMKVSA-N 0 0 516.638 4.517 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)COc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023432993 553775853 /nfs/dbraw/zinc/77/58/53/553775853.db2.gz KEZAKBYDUJRYBV-MHZLTWQESA-N 0 0 523.029 4.608 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)COc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023432996 553775996 /nfs/dbraw/zinc/77/59/96/553775996.db2.gz KEZAKBYDUJRYBV-HHHXNRCGSA-N 0 0 523.029 4.608 50 0 KJAARN COc1cc(NC(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000023433185 553776246 /nfs/dbraw/zinc/77/62/46/553776246.db2.gz WOHDNMRUNOQDBK-UHFFFAOYSA-N 0 0 511.569 4.938 50 0 KJAARN COC(=O)c1ccccc1NC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023434423 553776551 /nfs/dbraw/zinc/77/65/51/553776551.db2.gz RSMJEQQAUYRJIA-UHFFFAOYSA-N 0 0 509.553 4.707 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3ccc(C)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023435862 553776749 /nfs/dbraw/zinc/77/67/49/553776749.db2.gz OJTOJGHVCYWJCQ-NDEPHWFRSA-N 0 0 502.611 4.506 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3ccc(C)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023435866 553776804 /nfs/dbraw/zinc/77/68/04/553776804.db2.gz OJTOJGHVCYWJCQ-MUUNZHRXSA-N 0 0 502.611 4.506 50 0 KJAARN COC(=O)c1ccccc1NC(=O)N1CCN(CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023435944 553776744 /nfs/dbraw/zinc/77/67/44/553776744.db2.gz WFPNKZVEOIEEAO-SANMLTNESA-N 0 0 509.553 4.707 50 0 KJAARN COC(=O)c1ccccc1NC(=O)N1CCN(CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023435949 553776808 /nfs/dbraw/zinc/77/68/08/553776808.db2.gz WFPNKZVEOIEEAO-AREMUKBSSA-N 0 0 509.553 4.707 50 0 KJAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023436232 553776719 /nfs/dbraw/zinc/77/67/19/553776719.db2.gz YVTAAONZKVFKPM-UHFFFAOYSA-N 0 0 515.473 4.562 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cccc(C)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023436527 553776739 /nfs/dbraw/zinc/77/67/39/553776739.db2.gz BYFKQHBVOCNVIP-NDEPHWFRSA-N 0 0 502.611 4.506 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cccc(C)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023436531 553777102 /nfs/dbraw/zinc/77/71/02/553777102.db2.gz BYFKQHBVOCNVIP-MUUNZHRXSA-N 0 0 502.611 4.506 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437075 553777061 /nfs/dbraw/zinc/77/70/61/553777061.db2.gz YQKKNDITOSXRBF-SANMLTNESA-N 0 0 510.993 4.982 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437078 553777025 /nfs/dbraw/zinc/77/70/25/553777025.db2.gz YQKKNDITOSXRBF-AREMUKBSSA-N 0 0 510.993 4.982 50 0 KJAARN COc1cccc([C@@H](CN2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023437392 553777020 /nfs/dbraw/zinc/77/70/20/553777020.db2.gz FAHWYXDQDWOYQR-SSEXGKCCSA-N 0 0 518.654 4.666 50 0 KJAARN COc1cccc([C@H](CN2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023437395 553777031 /nfs/dbraw/zinc/77/70/31/553777031.db2.gz FAHWYXDQDWOYQR-PMERELPUSA-N 0 0 518.654 4.666 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cccc(F)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437809 553777386 /nfs/dbraw/zinc/77/73/86/553777386.db2.gz AYLWGAVQLSOWQH-SANMLTNESA-N 0 0 510.993 4.982 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cccc(F)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437813 553777404 /nfs/dbraw/zinc/77/74/04/553777404.db2.gz AYLWGAVQLSOWQH-AREMUKBSSA-N 0 0 510.993 4.982 50 0 KJAARN COc1cccc([C@@H](CN2CCN(C(=O)c3ccc(OC)cc3OC)CC2)OCc2ccc(C)cc2)c1 ZINC000023437927 553777367 /nfs/dbraw/zinc/77/73/67/553777367.db2.gz SWQAPCXKKRAJPQ-GDLZYMKVSA-N 0 0 504.627 4.737 50 0 KJAARN COc1cccc([C@H](CN2CCN(C(=O)c3ccc(OC)cc3OC)CC2)OCc2ccc(C)cc2)c1 ZINC000023437929 553777374 /nfs/dbraw/zinc/77/73/74/553777374.db2.gz SWQAPCXKKRAJPQ-LJAQVGFWSA-N 0 0 504.627 4.737 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023438540 553777749 /nfs/dbraw/zinc/77/77/49/553777749.db2.gz RGJCQVWTFIAJNA-MHZLTWQESA-N 0 0 525.020 4.911 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023438544 553777673 /nfs/dbraw/zinc/77/76/73/553777673.db2.gz RGJCQVWTFIAJNA-HHHXNRCGSA-N 0 0 525.020 4.911 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)Cc3cccs3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023439372 553777932 /nfs/dbraw/zinc/77/79/32/553777932.db2.gz OJENQLMMNWZDRI-VWLOTQADSA-N 0 0 513.059 4.833 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)Cc3cccs3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023439377 553777996 /nfs/dbraw/zinc/77/79/96/553777996.db2.gz OJENQLMMNWZDRI-RUZDIDTESA-N 0 0 513.059 4.833 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)Nc3ccccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023439757 553777944 /nfs/dbraw/zinc/77/79/44/553777944.db2.gz FFXCZHZTPDTJHW-NDEPHWFRSA-N 0 0 517.626 4.898 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)Nc3ccccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023439761 553777917 /nfs/dbraw/zinc/77/79/17/553777917.db2.gz FFXCZHZTPDTJHW-MUUNZHRXSA-N 0 0 517.626 4.898 50 0 KJAARN COC(=O)c1ccccc1NC(=O)N1CCN(C[C@@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000023440638 553778481 /nfs/dbraw/zinc/77/84/81/553778481.db2.gz FDVIPFFNGHYVDC-MUUNZHRXSA-N 0 0 517.626 4.898 50 0 KJAARN COC(=O)c1ccccc1NC(=O)N1CCN(C[C@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000023440640 553778507 /nfs/dbraw/zinc/77/85/07/553778507.db2.gz FDVIPFFNGHYVDC-NDEPHWFRSA-N 0 0 517.626 4.898 50 0 KJAARN O=S(=O)(c1ccccc1Br)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023440649 553778553 /nfs/dbraw/zinc/77/85/53/553778553.db2.gz KSBBURSPQMNNCV-UHFFFAOYSA-N 0 0 515.473 4.562 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C[C@@H](OCc3ccc(C(=O)OC)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000023441759 553778719 /nfs/dbraw/zinc/77/87/19/553778719.db2.gz BFZDTYSMPMYXPN-GDLZYMKVSA-N 0 0 516.638 4.760 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C[C@H](OCc3ccc(C(=O)OC)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000023441762 553778883 /nfs/dbraw/zinc/77/88/83/553778883.db2.gz BFZDTYSMPMYXPN-LJAQVGFWSA-N 0 0 516.638 4.760 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)Nc3ccccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023441767 553778755 /nfs/dbraw/zinc/77/87/55/553778755.db2.gz HRMIDJIZVCATFC-MHZLTWQESA-N 0 0 521.589 4.729 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)Nc3ccccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023441770 553778824 /nfs/dbraw/zinc/77/88/24/553778824.db2.gz HRMIDJIZVCATFC-HHHXNRCGSA-N 0 0 521.589 4.729 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023442157 553778745 /nfs/dbraw/zinc/77/87/45/553778745.db2.gz IAYSYWHMMXGSMO-JBOQNHBVSA-N 0 0 528.649 4.688 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023442160 553778765 /nfs/dbraw/zinc/77/87/65/553778765.db2.gz IAYSYWHMMXGSMO-FRXPANAUSA-N 0 0 528.649 4.688 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023442163 553779141 /nfs/dbraw/zinc/77/91/41/553779141.db2.gz IAYSYWHMMXGSMO-DTXPUJKBSA-N 0 0 528.649 4.688 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023442166 553779057 /nfs/dbraw/zinc/77/90/57/553779057.db2.gz IAYSYWHMMXGSMO-OIFRRMEBSA-N 0 0 528.649 4.688 50 0 KJAARN COc1cccc(CO[C@@H](CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000023442264 553779138 /nfs/dbraw/zinc/77/91/38/553779138.db2.gz HBOGRWJDZXSMAH-MHZLTWQESA-N 0 0 515.075 4.754 50 0 KJAARN COc1cccc(CO[C@H](CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000023442266 553779048 /nfs/dbraw/zinc/77/90/48/553779048.db2.gz HBOGRWJDZXSMAH-HHHXNRCGSA-N 0 0 515.075 4.754 50 0 KJAARN COC(=O)c1ccc(C(=O)N2CCN(C[C@@H](OCc3cccc(OC)c3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023442372 553779090 /nfs/dbraw/zinc/77/90/90/553779090.db2.gz BEFFJZKPDLLZNN-HHHXNRCGSA-N 0 0 523.029 4.851 50 0 KJAARN COC(=O)c1ccc(C(=O)N2CCN(C[C@H](OCc3cccc(OC)c3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023442374 553779094 /nfs/dbraw/zinc/77/90/94/553779094.db2.gz BEFFJZKPDLLZNN-MHZLTWQESA-N 0 0 523.029 4.851 50 0 KJAARN CCC(CC)CNC(=O)c1cnc(-c2cccc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c2)nc1 ZINC000023442583 553779066 /nfs/dbraw/zinc/77/90/66/553779066.db2.gz VFXWEMMZLMPPAV-UHFFFAOYSA-N 0 0 504.631 4.642 50 0 biogenic KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023442888 553779068 /nfs/dbraw/zinc/77/90/68/553779068.db2.gz RHHKVGGBBAHUCV-MHZLTWQESA-N 0 0 523.029 4.851 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023442892 553779147 /nfs/dbraw/zinc/77/91/47/553779147.db2.gz RHHKVGGBBAHUCV-HHHXNRCGSA-N 0 0 523.029 4.851 50 0 KJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023443009 553779075 /nfs/dbraw/zinc/77/90/75/553779075.db2.gz SMMMEDZBDNATHM-UHFFFAOYSA-N 0 0 504.574 4.818 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023443262 553779433 /nfs/dbraw/zinc/77/94/33/553779433.db2.gz QDMNEYMGWJTUJD-MHZLTWQESA-N 0 0 523.029 4.851 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023443265 553779397 /nfs/dbraw/zinc/77/93/97/553779397.db2.gz QDMNEYMGWJTUJD-HHHXNRCGSA-N 0 0 523.029 4.851 50 0 KJAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000023443329 553779439 /nfs/dbraw/zinc/77/94/39/553779439.db2.gz UPIOOEQRYCPPRW-DEOSSOPVSA-N 0 0 504.052 4.518 50 0 KJAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000023443333 553779354 /nfs/dbraw/zinc/77/93/54/553779354.db2.gz UPIOOEQRYCPPRW-XMMPIXPASA-N 0 0 504.052 4.518 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023443381 553779408 /nfs/dbraw/zinc/77/94/08/553779408.db2.gz BPLTYGQRSPVGHX-HHHXNRCGSA-N 0 0 515.075 4.754 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023443385 553779460 /nfs/dbraw/zinc/77/94/60/553779460.db2.gz BPLTYGQRSPVGHX-MHZLTWQESA-N 0 0 515.075 4.754 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3ccccc3OC)CC2)c2ccc(Cl)cc2)cc1 ZINC000023444269 553779626 /nfs/dbraw/zinc/77/96/26/553779626.db2.gz CLAAAFUZTKTMPO-MHZLTWQESA-N 0 0 523.029 4.851 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3ccccc3OC)CC2)c2ccc(Cl)cc2)cc1 ZINC000023444274 553779685 /nfs/dbraw/zinc/77/96/85/553779685.db2.gz CLAAAFUZTKTMPO-HHHXNRCGSA-N 0 0 523.029 4.851 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023444290 553779689 /nfs/dbraw/zinc/77/96/89/553779689.db2.gz AYLWHAJISJDOKW-MHZLTWQESA-N 0 0 523.029 4.851 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023444294 553779643 /nfs/dbraw/zinc/77/96/43/553779643.db2.gz AYLWHAJISJDOKW-HHHXNRCGSA-N 0 0 523.029 4.851 50 0 KJAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023444979 553779631 /nfs/dbraw/zinc/77/96/31/553779631.db2.gz HBKHPYMVQYLHBQ-VWLOTQADSA-N 0 0 507.002 4.731 50 0 KJAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023444982 553779613 /nfs/dbraw/zinc/77/96/13/553779613.db2.gz HBKHPYMVQYLHBQ-RUZDIDTESA-N 0 0 507.002 4.731 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CCO[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1 ZINC000023445116 553779572 /nfs/dbraw/zinc/77/95/72/553779572.db2.gz OPJILCGWJYWWKU-MHZLTWQESA-N 0 0 500.611 4.694 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CCO[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1 ZINC000023445119 553779674 /nfs/dbraw/zinc/77/96/74/553779674.db2.gz OPJILCGWJYWWKU-HHHXNRCGSA-N 0 0 500.611 4.694 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000023445353 553780052 /nfs/dbraw/zinc/78/00/52/553780052.db2.gz PXPYSAZGLUCRCC-MHZLTWQESA-N 0 0 523.029 4.851 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000023445356 553780032 /nfs/dbraw/zinc/78/00/32/553780032.db2.gz PXPYSAZGLUCRCC-HHHXNRCGSA-N 0 0 523.029 4.851 50 0 KJAARN O=S(=O)(c1ccccc1)N1CCN(CCO[C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000023445741 553780042 /nfs/dbraw/zinc/78/00/42/553780042.db2.gz SMHRLLOXJYIDJU-VWLOTQADSA-N 0 0 504.574 4.818 50 0 KJAARN O=S(=O)(c1ccccc1)N1CCN(CCO[C@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000023445744 553779952 /nfs/dbraw/zinc/77/99/52/553779952.db2.gz SMHRLLOXJYIDJU-RUZDIDTESA-N 0 0 504.574 4.818 50 0 KJAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023445820 553780335 /nfs/dbraw/zinc/78/03/35/553780335.db2.gz HBZDMMVVTBGFAK-UHFFFAOYSA-N 0 0 504.574 4.818 50 0 KJAARN CCCN(CCC)C(=O)c1cnc(-c2cccc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c2)nc1 ZINC000023445853 553780250 /nfs/dbraw/zinc/78/02/50/553780250.db2.gz FKWLILOYYLZPBS-UHFFFAOYSA-N 0 0 504.631 4.738 50 0 KJAARN CCOCCCNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(Br)cc2)cc1 ZINC000023446008 553780326 /nfs/dbraw/zinc/78/03/26/553780326.db2.gz HWUDJYXDDWHYFR-UHFFFAOYSA-N 0 0 500.393 4.635 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cc(F)ccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023446094 553780222 /nfs/dbraw/zinc/78/02/22/553780222.db2.gz YRTHWCJHVRISEF-NDEPHWFRSA-N 0 0 520.601 4.645 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cc(F)ccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023446096 553780322 /nfs/dbraw/zinc/78/03/22/553780322.db2.gz YRTHWCJHVRISEF-MUUNZHRXSA-N 0 0 520.601 4.645 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3sccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023446319 553780297 /nfs/dbraw/zinc/78/02/97/553780297.db2.gz UKDZSHDBNBJCKS-VWLOTQADSA-N 0 0 508.640 4.568 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3sccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023446321 553780352 /nfs/dbraw/zinc/78/03/52/553780352.db2.gz UKDZSHDBNBJCKS-RUZDIDTESA-N 0 0 508.640 4.568 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)Nc3ccccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000023446414 553780265 /nfs/dbraw/zinc/78/02/65/553780265.db2.gz KZJHRCBHWCSNOF-NDEPHWFRSA-N 0 0 533.625 4.598 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)Nc3ccccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000023446416 553780201 /nfs/dbraw/zinc/78/02/01/553780201.db2.gz KZJHRCBHWCSNOF-MUUNZHRXSA-N 0 0 533.625 4.598 50 0 KJAARN O=C(Nc1cc(F)cc2c1OCOC2)N1CCN(CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023446487 553780603 /nfs/dbraw/zinc/78/06/03/553780603.db2.gz IOHBYMQUVIZSDW-SANMLTNESA-N 0 0 527.543 4.926 50 0 KJAARN O=C(Nc1cc(F)cc2c1OCOC2)N1CCN(CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023446489 553780633 /nfs/dbraw/zinc/78/06/33/553780633.db2.gz IOHBYMQUVIZSDW-AREMUKBSSA-N 0 0 527.543 4.926 50 0 KJAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000023446856 553780568 /nfs/dbraw/zinc/78/05/68/553780568.db2.gz UONLPIUZIDECKF-UHFFFAOYSA-N 0 0 501.414 4.785 50 0 KJAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)Nc3ccccc3C(C)C)CC2)cc1OC ZINC000023446995 553780619 /nfs/dbraw/zinc/78/06/19/553780619.db2.gz ATDQTWCNFHQXHB-UHFFFAOYSA-N 0 0 531.657 4.549 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)OCc2ccc(C)cc2)c1 ZINC000023447427 553781098 /nfs/dbraw/zinc/78/10/98/553781098.db2.gz XHQIGPBRBMLLFW-HHHXNRCGSA-N 0 0 515.075 4.921 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)OCc2ccc(C)cc2)c1 ZINC000023447429 553781153 /nfs/dbraw/zinc/78/11/53/553781153.db2.gz XHQIGPBRBMLLFW-MHZLTWQESA-N 0 0 515.075 4.921 50 0 KJAARN CCOC(=O)CCCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(COC(C)=O)o1 ZINC000023447597 553781104 /nfs/dbraw/zinc/78/11/04/553781104.db2.gz BLTQBHNFIJVOMY-NDEPHWFRSA-N 0 0 510.587 4.820 50 0 KJAARN CCOC(=O)CCCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(COC(C)=O)o1 ZINC000023447600 553781080 /nfs/dbraw/zinc/78/10/80/553781080.db2.gz BLTQBHNFIJVOMY-MUUNZHRXSA-N 0 0 510.587 4.820 50 0 KJAARN COc1cccc(S(=O)(=O)N2CCN(C[C@@H](OCc3cccc(C)c3)c3ccc(Cl)cc3)CC2)c1 ZINC000023447735 553781164 /nfs/dbraw/zinc/78/11/64/553781164.db2.gz METNMRVHZQMQIE-HHHXNRCGSA-N 0 0 515.075 4.921 50 0 KJAARN COc1cccc(S(=O)(=O)N2CCN(C[C@H](OCc3cccc(C)c3)c3ccc(Cl)cc3)CC2)c1 ZINC000023447738 553781054 /nfs/dbraw/zinc/78/10/54/553781054.db2.gz METNMRVHZQMQIE-MHZLTWQESA-N 0 0 515.075 4.921 50 0 KJAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)CCc3ccccc3)cc12 ZINC000023448236 553781404 /nfs/dbraw/zinc/78/14/04/553781404.db2.gz WUHKWKGAOOYTMS-UHFFFAOYSA-N 0 0 517.626 4.607 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023448298 553781380 /nfs/dbraw/zinc/78/13/80/553781380.db2.gz PMEBALABYZBPPF-HHHXNRCGSA-N 0 0 515.075 4.921 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023448301 553781365 /nfs/dbraw/zinc/78/13/65/553781365.db2.gz PMEBALABYZBPPF-MHZLTWQESA-N 0 0 515.075 4.921 50 0 KJAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)/C=C/c3ccccc3)cc12 ZINC000023449167 553781316 /nfs/dbraw/zinc/78/13/16/553781316.db2.gz NRFHDXOJPCTZSB-NTCAYCPXSA-N 0 0 515.610 4.688 50 0 KJAARN CCOC(=O)Cn1cc(C(=O)C(=O)N(C)C2CCCCC2)c2cc(NC(=O)/C=C/c3ccccc3)ccc21 ZINC000023449282 553781706 /nfs/dbraw/zinc/78/17/06/553781706.db2.gz GGBQYSZMKAVRGL-SAPNQHFASA-N 0 0 515.610 4.830 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)OCc2ccc(C)cc2)c1 ZINC000023449518 553781642 /nfs/dbraw/zinc/78/16/42/553781642.db2.gz CCCAZVDGVZQLPY-AREMUKBSSA-N 0 0 515.075 4.921 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)OCc2ccc(C)cc2)c1 ZINC000023449521 553781676 /nfs/dbraw/zinc/78/16/76/553781676.db2.gz CCCAZVDGVZQLPY-SANMLTNESA-N 0 0 515.075 4.921 50 0 KJAARN COc1cccc(CO[C@@H](CN2CCN(S(=O)(=O)c3cccs3)CC2)c2ccc(Cl)cc2)c1 ZINC000023449859 553781701 /nfs/dbraw/zinc/78/17/01/553781701.db2.gz DRFXWBIMNHYTQC-QHCPKHFHSA-N 0 0 507.077 4.675 50 0 KJAARN COc1cccc(CO[C@H](CN2CCN(S(=O)(=O)c3cccs3)CC2)c2ccc(Cl)cc2)c1 ZINC000023449862 553781715 /nfs/dbraw/zinc/78/17/15/553781715.db2.gz DRFXWBIMNHYTQC-HSZRJFAPSA-N 0 0 507.077 4.675 50 0 KJAARN CCCN(CC1CC1)C(=O)c1cnc(-c2cccc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c2)nc1 ZINC000023450642 553781885 /nfs/dbraw/zinc/78/18/85/553781885.db2.gz UXACZOOONHGTMG-UHFFFAOYSA-N 0 0 516.642 4.738 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023450666 553781920 /nfs/dbraw/zinc/78/19/20/553781920.db2.gz MDFRKFUSIWKQBM-HHHXNRCGSA-N 0 0 512.647 4.716 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023450668 553782209 /nfs/dbraw/zinc/78/22/09/553782209.db2.gz MDFRKFUSIWKQBM-MHZLTWQESA-N 0 0 512.647 4.716 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cccs3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023450869 553782267 /nfs/dbraw/zinc/78/22/67/553782267.db2.gz XASFAMZNVIIWHE-HSZRJFAPSA-N 0 0 507.077 4.675 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cccs3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023450871 553782246 /nfs/dbraw/zinc/78/22/46/553782246.db2.gz XASFAMZNVIIWHE-QHCPKHFHSA-N 0 0 507.077 4.675 50 0 KJAARN CCOCCNC(=O)CSc1nc2cc(C(=O)OCC)ccc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000023451017 553782234 /nfs/dbraw/zinc/78/22/34/553782234.db2.gz OAKNCKIOKUHRTO-UHFFFAOYSA-N 0 0 509.550 4.525 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Br)cc3)CC2)cc1F ZINC000023451234 553782269 /nfs/dbraw/zinc/78/22/69/553782269.db2.gz QBMMRPWZLCPPOQ-DEOSSOPVSA-N 0 0 503.437 4.993 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](c3ccccc3)c3ccc(Br)cc3)CC2)cc1F ZINC000023451236 553782239 /nfs/dbraw/zinc/78/22/39/553782239.db2.gz QBMMRPWZLCPPOQ-XMMPIXPASA-N 0 0 503.437 4.993 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023451391 553782467 /nfs/dbraw/zinc/78/24/67/553782467.db2.gz GVVUJLTZIBTQLY-HHHXNRCGSA-N 0 0 516.610 4.546 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023451393 553782452 /nfs/dbraw/zinc/78/24/52/553782452.db2.gz GVVUJLTZIBTQLY-MHZLTWQESA-N 0 0 516.610 4.546 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023451466 553782495 /nfs/dbraw/zinc/78/24/95/553782495.db2.gz RAIRHEQPXREIRX-AREMUKBSSA-N 0 0 516.610 4.546 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023451468 553782526 /nfs/dbraw/zinc/78/25/26/553782526.db2.gz RAIRHEQPXREIRX-SANMLTNESA-N 0 0 516.610 4.546 50 0 KJAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000023451640 553782480 /nfs/dbraw/zinc/78/24/80/553782480.db2.gz FHIPQTGHAHRJLU-UHFFFAOYSA-N 0 0 505.377 4.534 50 0 KJAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccc(Br)cc1 ZINC000023451679 553782458 /nfs/dbraw/zinc/78/24/58/553782458.db2.gz GEPMXXSDHKLUTG-UHFFFAOYSA-N 0 0 510.479 4.522 50 0 KJAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023451941 553782488 /nfs/dbraw/zinc/78/24/88/553782488.db2.gz CSKWIGAMQXRJJQ-DEOSSOPVSA-N 0 0 503.437 4.993 50 0 KJAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023451944 553782510 /nfs/dbraw/zinc/78/25/10/553782510.db2.gz CSKWIGAMQXRJJQ-XMMPIXPASA-N 0 0 503.437 4.993 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023452541 553782771 /nfs/dbraw/zinc/78/27/71/553782771.db2.gz TZXFOINPBUJNCO-AREMUKBSSA-N 0 0 516.610 4.546 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023452544 553782738 /nfs/dbraw/zinc/78/27/38/553782738.db2.gz TZXFOINPBUJNCO-SANMLTNESA-N 0 0 516.610 4.546 50 0 KJAARN O=S(=O)(c1cc(F)cc(F)c1)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023453049 553782770 /nfs/dbraw/zinc/78/27/70/553782770.db2.gz LDCCCZCCDSJIID-QHCPKHFHSA-N 0 0 507.400 4.823 50 0 KJAARN O=S(=O)(c1cc(F)cc(F)c1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023453052 553782749 /nfs/dbraw/zinc/78/27/49/553782749.db2.gz LDCCCZCCDSJIID-HSZRJFAPSA-N 0 0 507.400 4.823 50 0 KJAARN CCOC(=O)Cn1cc(C(=O)C(=O)N(C)C2CCCCC2)c2cc(NC(=O)c3cccc(F)c3)ccc21 ZINC000023453152 553782785 /nfs/dbraw/zinc/78/27/85/553782785.db2.gz NAELROHTUJZNKB-UHFFFAOYSA-N 0 0 507.562 4.570 50 0 KJAARN COc1cccc(CO[C@@H](CN2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023453402 553782981 /nfs/dbraw/zinc/78/29/81/553782981.db2.gz FVNAWSZGZRNBAW-MHZLTWQESA-N 0 0 531.074 4.622 50 0 KJAARN COc1cccc(CO[C@H](CN2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023453405 553783018 /nfs/dbraw/zinc/78/30/18/553783018.db2.gz FVNAWSZGZRNBAW-HHHXNRCGSA-N 0 0 531.074 4.622 50 0 KJAARN CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Br)cc3)CC2)cc1 ZINC000023454042 553783000 /nfs/dbraw/zinc/78/30/00/553783000.db2.gz FRSKQUVFHBXOKD-VWLOTQADSA-N 0 0 513.457 4.748 50 0 KJAARN CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](c3ccccc3)c3ccc(Br)cc3)CC2)cc1 ZINC000023454044 553783229 /nfs/dbraw/zinc/78/32/29/553783229.db2.gz FRSKQUVFHBXOKD-RUZDIDTESA-N 0 0 513.457 4.748 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023454048 553783203 /nfs/dbraw/zinc/78/32/03/553783203.db2.gz XFLVRSMQENPKCZ-HHHXNRCGSA-N 0 0 531.074 4.622 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023454050 553783261 /nfs/dbraw/zinc/78/32/61/553783261.db2.gz XFLVRSMQENPKCZ-MHZLTWQESA-N 0 0 531.074 4.622 50 0 KJAARN O=S(=O)(c1c(F)cccc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023454253 553783226 /nfs/dbraw/zinc/78/32/26/553783226.db2.gz BSKUKMTUDZRJAU-QFIPXVFZSA-N 0 0 507.400 4.823 50 0 KJAARN O=S(=O)(c1c(F)cccc1F)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023454254 553783227 /nfs/dbraw/zinc/78/32/27/553783227.db2.gz BSKUKMTUDZRJAU-JOCHJYFZSA-N 0 0 507.400 4.823 50 0 KJAARN CCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccccc1Br ZINC000023454356 553783255 /nfs/dbraw/zinc/78/32/55/553783255.db2.gz QIQAWZHTVNLUBK-UHFFFAOYSA-N 0 0 510.479 4.522 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)OCc2ccc(C)cc2)c1 ZINC000023454382 553783231 /nfs/dbraw/zinc/78/32/31/553783231.db2.gz LDQODKLWHYTJAB-MUUNZHRXSA-N 0 0 524.683 4.585 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)OCc2ccc(C)cc2)c1 ZINC000023454384 553783219 /nfs/dbraw/zinc/78/32/19/553783219.db2.gz LDQODKLWHYTJAB-NDEPHWFRSA-N 0 0 524.683 4.585 50 0 KJAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)c3ccc(CC)cc3)cc12 ZINC000023454769 553783573 /nfs/dbraw/zinc/78/35/73/553783573.db2.gz BYVIMUAIMRSEAB-UHFFFAOYSA-N 0 0 517.626 4.850 50 0 KJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000023455167 553783768 /nfs/dbraw/zinc/78/37/68/553783768.db2.gz ZXZQPMSHBIUIEM-UHFFFAOYSA-N 0 0 504.484 4.544 50 0 KJAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc12 ZINC000023455322 553783799 /nfs/dbraw/zinc/78/37/99/553783799.db2.gz VHWZEGDZAYDYJM-UKILVPOCSA-N 0 0 529.637 4.778 50 0 KJAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc12 ZINC000023455325 553783817 /nfs/dbraw/zinc/78/38/17/553783817.db2.gz VHWZEGDZAYDYJM-ZCYQVOJMSA-N 0 0 529.637 4.778 50 0 KJAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC[C@@H]1CCCO1)n2Cc1ccc(C(F)(F)F)cc1 ZINC000023455531 553783859 /nfs/dbraw/zinc/78/38/59/553783859.db2.gz BTVDZIMMEDKTJR-IBGZPJMESA-N 0 0 521.561 4.667 50 0 KJAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC[C@H]1CCCO1)n2Cc1ccc(C(F)(F)F)cc1 ZINC000023455534 553783873 /nfs/dbraw/zinc/78/38/73/553783873.db2.gz BTVDZIMMEDKTJR-LJQANCHMSA-N 0 0 521.561 4.667 50 0 KJAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000023455659 553783832 /nfs/dbraw/zinc/78/38/32/553783832.db2.gz KURUTFFCYUDMAR-UHFFFAOYSA-N 0 0 511.768 4.868 50 0 KJAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc12 ZINC000023456082 553784073 /nfs/dbraw/zinc/78/40/73/553784073.db2.gz IFUVEOIAABKESE-UHFFFAOYSA-N 0 0 517.626 4.905 50 0 KJAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)c3ccc(Cl)cc3)cc12 ZINC000023456237 553784078 /nfs/dbraw/zinc/78/40/78/553784078.db2.gz QYWWGHUKELVIDM-UHFFFAOYSA-N 0 0 524.017 4.941 50 0 KJAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000023456531 553784087 /nfs/dbraw/zinc/78/40/87/553784087.db2.gz YYVXROJDLIARJW-UHFFFAOYSA-N 0 0 505.377 4.913 50 0 KJAARN CCOc1ccc(CSc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C[C@@H]2CCCO2)cc1 ZINC000023456703 553784080 /nfs/dbraw/zinc/78/40/80/553784080.db2.gz GCEYMKJRNUINLE-NRFANRHFSA-N 0 0 503.690 4.937 50 0 KJAARN CCOc1ccc(CSc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C[C@H]2CCCO2)cc1 ZINC000023456706 553784069 /nfs/dbraw/zinc/78/40/69/553784069.db2.gz GCEYMKJRNUINLE-OAQYLSRUSA-N 0 0 503.690 4.937 50 0 KJAARN CCOCCn1ccc2c1ccc(OC(=O)N(CC)CC)c2NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000023457196 553784445 /nfs/dbraw/zinc/78/44/45/553784445.db2.gz BCVSHUTYVCPMPC-UHFFFAOYSA-N 0 0 513.591 4.797 50 0 KJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000023457261 553784454 /nfs/dbraw/zinc/78/44/54/553784454.db2.gz FHCUCWGMTRVPPC-UHFFFAOYSA-N 0 0 504.484 4.544 50 0 KJAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)c2cccnc2Cl)CC1 ZINC000023457366 553784431 /nfs/dbraw/zinc/78/44/31/553784431.db2.gz OSPBNCLBRPANET-UHFFFAOYSA-N 0 0 508.793 4.514 50 0 KJAARN CCOc1ccc(CSc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C[C@@H]2CCCO2)cc1 ZINC000023457661 553784426 /nfs/dbraw/zinc/78/44/26/553784426.db2.gz CZFONRRTEODJFC-NRFANRHFSA-N 0 0 501.674 4.691 50 0 KJAARN CCOc1ccc(CSc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C[C@H]2CCCO2)cc1 ZINC000023457665 553784388 /nfs/dbraw/zinc/78/43/88/553784388.db2.gz CZFONRRTEODJFC-OAQYLSRUSA-N 0 0 501.674 4.691 50 0 KJAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2nc1SCC(=O)c1ccccc1 ZINC000023457683 553784361 /nfs/dbraw/zinc/78/43/61/553784361.db2.gz CAKCRJOXSKYGFM-HXUWFJFHSA-N 0 0 515.701 4.859 50 0 KJAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2nc1SCC(=O)c1ccccc1 ZINC000023457686 553784662 /nfs/dbraw/zinc/78/46/62/553784662.db2.gz CAKCRJOXSKYGFM-FQEVSTJZSA-N 0 0 515.701 4.859 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(OC)c(C)c1)n2C[C@@H]1CCCO1 ZINC000023458319 553784645 /nfs/dbraw/zinc/78/46/45/553784645.db2.gz DRTNVMSKWGTTEM-FQEVSTJZSA-N 0 0 503.690 4.855 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(OC)c(C)c1)n2C[C@H]1CCCO1 ZINC000023458322 553784664 /nfs/dbraw/zinc/78/46/64/553784664.db2.gz DRTNVMSKWGTTEM-HXUWFJFHSA-N 0 0 503.690 4.855 50 0 KJAARN O=C(c1c(F)c(Cl)ccc1C(F)(F)F)N1CCN(c2nccc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000023458370 553784681 /nfs/dbraw/zinc/78/46/81/553784681.db2.gz WFZGTBQHHYHTER-UHFFFAOYSA-N 0 0 508.859 4.646 50 0 KJAARN O=C(COCc1ccccc1)N1CCN(Cc2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2)CC1 ZINC000023458461 553784636 /nfs/dbraw/zinc/78/46/36/553784636.db2.gz NXRVPJJHDVCNNZ-UHFFFAOYSA-N 0 0 503.002 4.918 50 0 KJAARN CCOC(=O)C1CCN(C(=O)CCc2cc3c(n2-c2ccc4c(c2)OCO4)-c2ccccc2CC3)CC1 ZINC000023458786 553785017 /nfs/dbraw/zinc/78/50/17/553785017.db2.gz XUGZKQFDKHSBTJ-UHFFFAOYSA-N 0 0 500.595 4.706 50 0 KJAARN Cc1noc(C)c1CSc1nc2cc(S(=O)(=O)N3CCC[C@@H](C)C3)ccc2n1C[C@@H]1CCCO1 ZINC000023459050 553784979 /nfs/dbraw/zinc/78/49/79/553784979.db2.gz JMSLEPJRSIULRJ-APWZRJJASA-N 0 0 504.678 4.533 50 0 KJAARN Cc1noc(C)c1CSc1nc2cc(S(=O)(=O)N3CCC[C@H](C)C3)ccc2n1C[C@@H]1CCCO1 ZINC000023459053 553785180 /nfs/dbraw/zinc/78/51/80/553785180.db2.gz JMSLEPJRSIULRJ-LPHOPBHVSA-N 0 0 504.678 4.533 50 0 KJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CC2 ZINC000023459388 553785215 /nfs/dbraw/zinc/78/52/15/553785215.db2.gz HGUJUAGYWVBABP-KMRXNPHXSA-N 0 0 505.014 4.880 50 0 KJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CC2 ZINC000023459391 553785146 /nfs/dbraw/zinc/78/51/46/553785146.db2.gz HGUJUAGYWVBABP-PIKZIKFNSA-N 0 0 505.014 4.880 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CC2 ZINC000023459394 553785211 /nfs/dbraw/zinc/78/52/11/553785211.db2.gz HGUJUAGYWVBABP-RBTNQOKQSA-N 0 0 505.014 4.880 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)CC2 ZINC000023459397 553785202 /nfs/dbraw/zinc/78/52/02/553785202.db2.gz HGUJUAGYWVBABP-LYZGTLIUSA-N 0 0 505.014 4.880 50 0 KJAARN CCOC(=O)N1CCN(C(=O)CCc2cc3c(n2-c2ccc(C)cc2OC)-c2ccccc2OC3)CC1 ZINC000023459403 553785185 /nfs/dbraw/zinc/78/51/85/553785185.db2.gz PAZPPCZTJMQFJQ-UHFFFAOYSA-N 0 0 503.599 4.587 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(C(=O)OC)cc1OC)n2C(C)C ZINC000023459489 553785506 /nfs/dbraw/zinc/78/55/06/553785506.db2.gz IGQSBTUVTLDODA-UHFFFAOYSA-N 0 0 505.662 4.735 50 0 KJAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)c3cccc(F)c3F)cc12 ZINC000023460026 553785526 /nfs/dbraw/zinc/78/55/26/553785526.db2.gz GXTFKVZXGPVCAV-UHFFFAOYSA-N 0 0 525.552 4.566 50 0 KJAARN O=C(COCc1ccccc1)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000023461124 553786055 /nfs/dbraw/zinc/78/60/55/553786055.db2.gz OFLIPOFEUQPAPB-UHFFFAOYSA-N 0 0 503.002 4.918 50 0 KJAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023461155 553785996 /nfs/dbraw/zinc/78/59/96/553785996.db2.gz CJHKEOMBFAZQRR-UHFFFAOYSA-N 0 0 512.500 4.959 50 0 KJAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)c3ccccc3OCC)cc12 ZINC000023461224 553786048 /nfs/dbraw/zinc/78/60/48/553786048.db2.gz RLBSTCUWDZCZHZ-UHFFFAOYSA-N 0 0 533.625 4.687 50 0 KJAARN COc1cccc(CSc2nc3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc3n2C[C@@H]2CCCO2)c1 ZINC000023462211 553786609 /nfs/dbraw/zinc/78/66/09/553786609.db2.gz NSTKDCIOIPHLGS-KNQAVFIVSA-N 0 0 515.701 4.937 50 0 KJAARN COc1cccc(CSc2nc3cc(S(=O)(=O)N4CCC[C@H](C)C4)ccc3n2C[C@@H]2CCCO2)c1 ZINC000023462214 553786583 /nfs/dbraw/zinc/78/65/83/553786583.db2.gz NSTKDCIOIPHLGS-UGKGYDQZSA-N 0 0 515.701 4.937 50 0 KJAARN CCOC(=O)C1CCN(C(=O)CCc2cc3c(n2-c2cc(OC)cc(OC)c2)-c2ccccc2CC3)CC1 ZINC000023462321 553786885 /nfs/dbraw/zinc/78/68/85/553786885.db2.gz LTNYEMFKLNDEFP-UHFFFAOYSA-N 0 0 516.638 4.994 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(F)c(F)c(F)c1)n2C[C@@H]1CCCO1 ZINC000023462392 553786888 /nfs/dbraw/zinc/78/68/88/553786888.db2.gz XRVDSBOOQSKHRN-INIZCTEOSA-N 0 0 513.607 4.955 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(F)c(F)c(F)c1)n2C[C@H]1CCCO1 ZINC000023462395 553786878 /nfs/dbraw/zinc/78/68/78/553786878.db2.gz XRVDSBOOQSKHRN-MRXNPFEDSA-N 0 0 513.607 4.955 50 0 KJAARN COc1ccc(CC(=O)N2CCN(Cc3ccc(-c4noc(-c5cccc(Cl)c5)n4)cc3)CC2)cc1 ZINC000023462397 553786834 /nfs/dbraw/zinc/78/68/34/553786834.db2.gz HTJHHPOLPSNMIQ-UHFFFAOYSA-N 0 0 503.002 4.953 50 0 KJAARN Cc1csc2nc(CSc3nnc(COc4ccc(Cl)cc4)n3Cc3ccco3)cc(=O)n12 ZINC000023956948 553787593 /nfs/dbraw/zinc/78/75/93/553787593.db2.gz WNZAQXJKHRXPIV-UHFFFAOYSA-N 0 0 500.005 4.822 50 0 KJAARN Cc1ccn2c(=O)cc(CSc3nnc(-c4ccc(Br)o4)n3Cc3ccccc3)nc2c1 ZINC000023968353 553787507 /nfs/dbraw/zinc/78/75/07/553787507.db2.gz ACQICMZPOFDVIL-UHFFFAOYSA-N 0 0 508.401 4.958 50 0 KJAARN COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cc(=O)n2c(C)csc2n1 ZINC000023968611 553787665 /nfs/dbraw/zinc/78/76/65/553787665.db2.gz DDWVFTNXZROKJW-UHFFFAOYSA-N 0 0 519.652 4.841 50 0 KJAARN COC(=O)c1sc2nc(CSc3nnc(COc4ccccc4)n3CCC(C)C)[nH]c(=O)c2c1C ZINC000023982479 553787620 /nfs/dbraw/zinc/78/76/20/553787620.db2.gz LQNWQXXYEPTLOU-UHFFFAOYSA-N 0 0 513.645 4.589 50 0 KJAARN CCc1ccc(OCc2nnc(SCc3nc4sc(C(=O)OC)c(C)c4c(=O)[nH]3)n2CC(C)C)cc1 ZINC000023982915 553787624 /nfs/dbraw/zinc/78/76/24/553787624.db2.gz AWPZFYBPNNPVGH-UHFFFAOYSA-N 0 0 527.672 4.761 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)cc1 ZINC000023989371 553787849 /nfs/dbraw/zinc/78/78/49/553787849.db2.gz WNZCGRBPDNNMRP-UHFFFAOYSA-N 0 0 508.578 4.547 50 0 KJAARN O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023989403 553787861 /nfs/dbraw/zinc/78/78/61/553787861.db2.gz MJCDMRIREYMBQU-UHFFFAOYSA-N 0 0 525.674 4.713 50 0 KJAARN COC(=O)c1sc2[nH]c(CSc3nnc(-c4ccoc4C)n3Cc3ccccc3)nc(=O)c2c1C ZINC000023989461 553787788 /nfs/dbraw/zinc/78/77/88/553787788.db2.gz ISHATIDCKGKRJO-UHFFFAOYSA-N 0 0 507.597 4.580 50 0 KJAARN COc1cc2nc(CSc3nnc(Cc4cccs4)n3CCc3ccccc3)[nH]c(=O)c2cc1OC ZINC000023990244 553788205 /nfs/dbraw/zinc/78/82/05/553788205.db2.gz OIJXPQAGULYLJD-UHFFFAOYSA-N 0 0 519.652 4.719 50 0 KJAARN CCOC(=O)C1=C(CSc2nc3ccccc3n2CCc2ccccc2)NC(=O)N[C@@H]1c1ccco1 ZINC000024044926 553788519 /nfs/dbraw/zinc/78/85/19/553788519.db2.gz KWHVDSMQUIGLON-XMMPIXPASA-N 0 0 502.596 4.835 50 0 KJAARN CCOC(=O)C1=C(CSc2nc3ccccc3n2CCc2ccccc2)NC(=O)N[C@H]1c1ccco1 ZINC000024044928 553788480 /nfs/dbraw/zinc/78/84/80/553788480.db2.gz KWHVDSMQUIGLON-DEOSSOPVSA-N 0 0 502.596 4.835 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1 ZINC000024081163 553788787 /nfs/dbraw/zinc/78/87/87/553788787.db2.gz BITQWNSLVVLQKN-UHFFFAOYSA-N 0 0 501.583 4.909 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1C ZINC000024115987 553789186 /nfs/dbraw/zinc/78/91/86/553789186.db2.gz JFWDOHNKKYCTOR-UHFFFAOYSA-N 0 0 501.583 4.827 50 0 KJAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000024302711 553790451 /nfs/dbraw/zinc/79/04/51/553790451.db2.gz UGOIWTXMBPABLA-UHFFFAOYSA-N 0 0 524.397 4.867 50 0 KJAARN COC(=O)c1ccc(Oc2nc(N3CCCC3)c(Cl)c3c2N(C2CCCCC2)CCS3(=O)=O)cc1 ZINC000024615419 553791111 /nfs/dbraw/zinc/79/11/11/553791111.db2.gz UZWVPKGRMGKLEP-UHFFFAOYSA-N 0 0 520.051 4.841 50 0 KJAARN COc1ccc(Oc2nc(N3CCCC3)c(Cl)c3c2N(Cc2ccccc2)CCS3(=O)=O)cc1 ZINC000024615543 553791045 /nfs/dbraw/zinc/79/10/45/553791045.db2.gz FFBZRURBUGHEJQ-UHFFFAOYSA-N 0 0 500.020 4.930 50 0 KJAARN CCCCN1CCS(=O)(=O)c2c(F)c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc(F)c21 ZINC000024615787 553791100 /nfs/dbraw/zinc/79/11/00/553791100.db2.gz TVAVROPXFZZKSB-UHFFFAOYSA-N 0 0 526.653 4.665 50 0 KJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000024632045 553791075 /nfs/dbraw/zinc/79/10/75/553791075.db2.gz UGQSUNVAYHHRSA-UHFFFAOYSA-N 0 0 518.664 4.569 50 0 aggregator KJAARN CCSc1nnc(NC(=O)CSC2=N/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)N2c2ccccc2)s1 ZINC000024692026 553791370 /nfs/dbraw/zinc/79/13/70/553791370.db2.gz GCYRQCMLEZNOIE-BOPFTXTBSA-N 0 0 571.706 4.792 50 0 KJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)Nc1ccc(C(F)(F)F)cc1 ZINC000024747807 553791559 /nfs/dbraw/zinc/79/15/59/553791559.db2.gz GSEIPONEPPAOFA-UHFFFAOYSA-N 0 0 502.832 4.955 50 0 KJAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000024750943 553791597 /nfs/dbraw/zinc/79/15/97/553791597.db2.gz YODFIJUIYIYWLT-UHFFFAOYSA-N 0 0 517.051 4.925 50 0 KJAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000024772430 553792167 /nfs/dbraw/zinc/79/21/67/553792167.db2.gz ZKWNOZIFVDDCHO-UHFFFAOYSA-N 0 0 503.452 4.573 50 0 KJAARN CCCN(CC(=O)Nc1ccccc1C)Cc1nc2ccsc2c(=O)n1CC(=O)Nc1ccccc1C ZINC000024775337 553792383 /nfs/dbraw/zinc/79/23/83/553792383.db2.gz SQIBJUDCEXEIGO-UHFFFAOYSA-N 0 0 517.655 4.564 50 0 KJAARN CC(=O)N(c1nc(COC(=O)C[C@@H]2Oc3ccccc3NC2=O)cs1)c1cccc(C(F)(F)F)c1 ZINC000024828587 553792488 /nfs/dbraw/zinc/79/24/88/553792488.db2.gz GQQNWKMKLTYZAE-IBGZPJMESA-N 0 0 505.474 4.680 50 0 KJAARN CC(=O)N(c1nc(COC(=O)C[C@H]2Oc3ccccc3NC2=O)cs1)c1cccc(C(F)(F)F)c1 ZINC000024828590 553792396 /nfs/dbraw/zinc/79/23/96/553792396.db2.gz GQQNWKMKLTYZAE-LJQANCHMSA-N 0 0 505.474 4.680 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cncc(Br)c1)CN(Cc1ccccc1)CC2 ZINC000025140117 553793249 /nfs/dbraw/zinc/79/32/49/553793249.db2.gz JZKJDXMKGDVKHF-UHFFFAOYSA-N 0 0 500.418 4.893 50 0 KJAARN CCOC(=O)c1c(NC(=O)C(C)(C)OC(C)=O)c(-c2ccc(OC)c(OC)c2)cn1Cc1ccccc1 ZINC000025141936 553793220 /nfs/dbraw/zinc/79/32/20/553793220.db2.gz MSPLUXXWPKZRTH-UHFFFAOYSA-N 0 0 508.571 4.678 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(F)c(F)cc1F)n2C[C@@H]1CCCO1 ZINC000025142024 553793201 /nfs/dbraw/zinc/79/32/01/553793201.db2.gz BMOOMMLXLOHRFN-INIZCTEOSA-N 0 0 513.607 4.955 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(F)c(F)cc1F)n2C[C@H]1CCCO1 ZINC000025142026 553793225 /nfs/dbraw/zinc/79/32/25/553793225.db2.gz BMOOMMLXLOHRFN-MRXNPFEDSA-N 0 0 513.607 4.955 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(F)c(F)c1F)n2C[C@@H]1CCCO1 ZINC000025142079 553793216 /nfs/dbraw/zinc/79/32/16/553793216.db2.gz AMCSPECOEVWOIG-INIZCTEOSA-N 0 0 513.607 4.955 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(F)c(F)c1F)n2C[C@H]1CCCO1 ZINC000025142081 553793233 /nfs/dbraw/zinc/79/32/33/553793233.db2.gz AMCSPECOEVWOIG-MRXNPFEDSA-N 0 0 513.607 4.955 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(OC(F)F)cc1)n2C[C@@H]1CCCO1)N1CCCC1 ZINC000025142120 553793186 /nfs/dbraw/zinc/79/31/86/553793186.db2.gz NUTBYERRZCGKGX-IBGZPJMESA-N 0 0 523.627 4.894 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(OC(F)F)cc1)n2C[C@H]1CCCO1)N1CCCC1 ZINC000025142122 553793383 /nfs/dbraw/zinc/79/33/83/553793383.db2.gz NUTBYERRZCGKGX-LJQANCHMSA-N 0 0 523.627 4.894 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(F)cc(F)c1F)n2C[C@@H]1CCCO1 ZINC000025142286 553793357 /nfs/dbraw/zinc/79/33/57/553793357.db2.gz BLTQLJOIZMHVSU-KRWDZBQOSA-N 0 0 513.607 4.955 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(F)cc(F)c1F)n2C[C@H]1CCCO1 ZINC000025142288 553793419 /nfs/dbraw/zinc/79/34/19/553793419.db2.gz BLTQLJOIZMHVSU-QGZVFWFLSA-N 0 0 513.607 4.955 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)c(F)c(F)c1)n2C[C@@H]1CCCO1)N1CCCC1 ZINC000025142290 553793435 /nfs/dbraw/zinc/79/34/35/553793435.db2.gz HZGMZUMAQWDXHA-INIZCTEOSA-N 0 0 511.591 4.709 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)c(F)c(F)c1)n2C[C@H]1CCCO1)N1CCCC1 ZINC000025142293 553793352 /nfs/dbraw/zinc/79/33/52/553793352.db2.gz HZGMZUMAQWDXHA-MRXNPFEDSA-N 0 0 511.591 4.709 50 0 KJAARN COc1ccccc1CC(=O)N1CCN(Cc2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2)CC1 ZINC000025142391 553793324 /nfs/dbraw/zinc/79/33/24/553793324.db2.gz HFJDYWGRQZZGQI-UHFFFAOYSA-N 0 0 503.002 4.953 50 0 KJAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000025142455 553793360 /nfs/dbraw/zinc/79/33/60/553793360.db2.gz CRNHQXCGCWVVMO-UHFFFAOYSA-N 0 0 502.558 4.780 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(OC)cc(OC)c1)n2C[C@@H]1CCCO1 ZINC000025142561 553793432 /nfs/dbraw/zinc/79/34/32/553793432.db2.gz NKPNKNBJCBRSQC-IBGZPJMESA-N 0 0 519.689 4.555 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(OC)cc(OC)c1)n2C[C@H]1CCCO1 ZINC000025142563 553793377 /nfs/dbraw/zinc/79/33/77/553793377.db2.gz NKPNKNBJCBRSQC-LJQANCHMSA-N 0 0 519.689 4.555 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)c(F)cc1F)n2C[C@@H]1CCCO1)N1CCCC1 ZINC000025142579 553793413 /nfs/dbraw/zinc/79/34/13/553793413.db2.gz PDHKFGHPZKUROD-INIZCTEOSA-N 0 0 511.591 4.709 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)c(F)cc1F)n2C[C@H]1CCCO1)N1CCCC1 ZINC000025142581 553793389 /nfs/dbraw/zinc/79/33/89/553793389.db2.gz PDHKFGHPZKUROD-MRXNPFEDSA-N 0 0 511.591 4.709 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1c(F)ccc(F)c1F)n2C[C@@H]1CCCO1 ZINC000025142637 553793600 /nfs/dbraw/zinc/79/36/00/553793600.db2.gz LRDLXJCQBIISAO-HNNXBMFYSA-N 0 0 513.607 4.955 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1c(F)ccc(F)c1F)n2C[C@H]1CCCO1 ZINC000025142639 553793712 /nfs/dbraw/zinc/79/37/12/553793712.db2.gz LRDLXJCQBIISAO-OAHLLOKOSA-N 0 0 513.607 4.955 50 0 KJAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000025142705 553793717 /nfs/dbraw/zinc/79/37/17/553793717.db2.gz SUPRVLMRWOSBCB-UHFFFAOYSA-N 0 0 516.467 4.692 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)cc(F)cc1F)n2C[C@@H]1CCCO1)N1CCCC1 ZINC000025142953 553793905 /nfs/dbraw/zinc/79/39/05/553793905.db2.gz ZWRKDDPEGNZINO-INIZCTEOSA-N 0 0 511.591 4.709 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)cc(F)cc1F)n2C[C@H]1CCCO1)N1CCCC1 ZINC000025142956 553793928 /nfs/dbraw/zinc/79/39/28/553793928.db2.gz ZWRKDDPEGNZINO-MRXNPFEDSA-N 0 0 511.591 4.709 50 0 KJAARN O=C(COc1ccc(F)cc1)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000025143072 553793849 /nfs/dbraw/zinc/79/38/49/553793849.db2.gz ZHMHXIPLQZEEFG-UHFFFAOYSA-N 0 0 506.965 4.919 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(OC)ccc1OC)n2C[C@@H]1CCCO1 ZINC000025143138 553793933 /nfs/dbraw/zinc/79/39/33/553793933.db2.gz SKDBNQOGEXVPMG-FQEVSTJZSA-N 0 0 519.689 4.555 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cc(OC)ccc1OC)n2C[C@H]1CCCO1 ZINC000025143142 553793917 /nfs/dbraw/zinc/79/39/17/553793917.db2.gz SKDBNQOGEXVPMG-HXUWFJFHSA-N 0 0 519.689 4.555 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)ccc(F)c1F)n2C[C@@H]1CCCO1)N1CCCC1 ZINC000025143363 553793912 /nfs/dbraw/zinc/79/39/12/553793912.db2.gz YNZIGCQFRLSRLT-HNNXBMFYSA-N 0 0 511.591 4.709 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)ccc(F)c1F)n2C[C@H]1CCCO1)N1CCCC1 ZINC000025143366 553793903 /nfs/dbraw/zinc/79/39/03/553793903.db2.gz YNZIGCQFRLSRLT-OAHLLOKOSA-N 0 0 511.591 4.709 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cccc(OC)c1OC)n2C[C@@H]1CCCO1 ZINC000025143377 553793893 /nfs/dbraw/zinc/79/38/93/553793893.db2.gz FSJCREYENFPUJI-IBGZPJMESA-N 0 0 519.689 4.555 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cccc(OC)c1OC)n2C[C@H]1CCCO1 ZINC000025143380 553793935 /nfs/dbraw/zinc/79/39/35/553793935.db2.gz FSJCREYENFPUJI-LJQANCHMSA-N 0 0 519.689 4.555 50 0 KJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000025143386 553793846 /nfs/dbraw/zinc/79/38/46/553793846.db2.gz XTNAPDAOUCDVBZ-SANMLTNESA-N 0 0 508.571 4.918 50 0 KJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000025143389 553793930 /nfs/dbraw/zinc/79/39/30/553793930.db2.gz XTNAPDAOUCDVBZ-AREMUKBSSA-N 0 0 508.571 4.918 50 0 KJAARN CCOC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C[C@@H]2CCCO2)cc1 ZINC000025143425 553793883 /nfs/dbraw/zinc/79/38/83/553793883.db2.gz NVYVWNZHICAWES-NRFANRHFSA-N 0 0 531.700 4.715 50 0 KJAARN CCOC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C[C@H]2CCCO2)cc1 ZINC000025143428 553793915 /nfs/dbraw/zinc/79/39/15/553793915.db2.gz NVYVWNZHICAWES-OAQYLSRUSA-N 0 0 531.700 4.715 50 0 KJAARN COc1ccc(CC(=O)N2CCN(Cc3cccc(-c4noc(-c5cccc(Cl)c5)n4)c3)CC2)cc1 ZINC000025143732 553794179 /nfs/dbraw/zinc/79/41/79/553794179.db2.gz KDCPZNJVDFCBIZ-UHFFFAOYSA-N 0 0 503.002 4.953 50 0 KJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(S(=O)(=O)c2ccc(C(C)(C)CC)cc2)CC1 ZINC000025143746 553794236 /nfs/dbraw/zinc/79/42/36/553794236.db2.gz BXSSSOYJRVBPRQ-UHFFFAOYSA-N 0 0 524.687 4.622 50 0 KJAARN COc1cc(C)c(S(=O)(=O)N2CCN(c3nccc(-c4cccc(C(F)(F)F)c4)n3)CC2)c(C)c1C ZINC000025144171 553794404 /nfs/dbraw/zinc/79/44/04/553794404.db2.gz ZKSFHNDDAUHDOX-UHFFFAOYSA-N 0 0 520.577 4.607 50 0 KJAARN O=C(c1ccc2nonc2c1)N1CCN(C[C@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000025144230 553794471 /nfs/dbraw/zinc/79/44/71/553794471.db2.gz FYVSAQZYUVMMHH-VWLOTQADSA-N 0 0 512.944 4.870 50 0 KJAARN O=C(c1ccc2nonc2c1)N1CCN(C[C@@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000025144233 553794437 /nfs/dbraw/zinc/79/44/37/553794437.db2.gz FYVSAQZYUVMMHH-RUZDIDTESA-N 0 0 512.944 4.870 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1OC(F)F)n2C[C@@H]1CCCO1)N1CCCC1 ZINC000025144295 553794409 /nfs/dbraw/zinc/79/44/09/553794409.db2.gz XUWKQPVIEANWRC-SFHVURJKSA-N 0 0 523.627 4.894 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1OC(F)F)n2C[C@H]1CCCO1)N1CCCC1 ZINC000025144298 553794417 /nfs/dbraw/zinc/79/44/17/553794417.db2.gz XUWKQPVIEANWRC-GOSISDBHSA-N 0 0 523.627 4.894 50 0 KJAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000025144575 553794382 /nfs/dbraw/zinc/79/43/82/553794382.db2.gz PIODDMLFRMFZIO-MHZLTWQESA-N 0 0 508.571 4.918 50 0 KJAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000025144578 553794393 /nfs/dbraw/zinc/79/43/93/553794393.db2.gz PIODDMLFRMFZIO-HHHXNRCGSA-N 0 0 508.571 4.918 50 0 KJAARN COc1ccccc1CC(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000025144664 553794477 /nfs/dbraw/zinc/79/44/77/553794477.db2.gz GNLOERWYBDPVRS-UHFFFAOYSA-N 0 0 503.002 4.953 50 0 KJAARN Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cn2)CC1 ZINC000025145289 553794764 /nfs/dbraw/zinc/79/47/64/553794764.db2.gz KIJOBPZCVNPUKC-UHFFFAOYSA-N 0 0 513.573 4.636 50 0 KJAARN O=C(NCCCn1ccnc1)c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 ZINC000025146405 553795287 /nfs/dbraw/zinc/79/52/87/553795287.db2.gz RLEFAWNVMNGYCJ-UHFFFAOYSA-N 0 0 508.548 4.597 50 0 KJAARN O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2)CC1 ZINC000025146637 553795335 /nfs/dbraw/zinc/79/53/35/553795335.db2.gz WHFQZWSJTZDHOI-UHFFFAOYSA-N 0 0 516.985 4.673 50 0 KJAARN O=C(c1ccc2c(c1)CCO2)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000025147629 553795589 /nfs/dbraw/zinc/79/55/89/553795589.db2.gz CDGWJXXIJGDQMA-UHFFFAOYSA-N 0 0 500.986 4.950 50 0 KJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(OC(C)=O)c2C)cc1OC ZINC000025147833 553795577 /nfs/dbraw/zinc/79/55/77/553795577.db2.gz GPZLVKXHLUDKGV-NDEPHWFRSA-N 0 0 505.567 4.743 50 0 KJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(OC(C)=O)c2C)cc1OC ZINC000025147836 553795549 /nfs/dbraw/zinc/79/55/49/553795549.db2.gz GPZLVKXHLUDKGV-MUUNZHRXSA-N 0 0 505.567 4.743 50 0 KJAARN O=C(Cc1ccc2c(c1)OCO2)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000025148791 553795894 /nfs/dbraw/zinc/79/58/94/553795894.db2.gz UDOLXQSUIHVIHE-UHFFFAOYSA-N 0 0 516.985 4.673 50 0 KJAARN COc1ccc(CCNC(=O)c2cccc(-n3nc(-c4nnc(C)o4)cc3CCC(C)C)c2)cc1OC ZINC000025149022 553795968 /nfs/dbraw/zinc/79/59/68/553795968.db2.gz OLUQGNFLVMSHGE-UHFFFAOYSA-N 0 0 503.603 4.809 50 0 KJAARN CC(=O)O[C@@H](C(=O)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1)c1ccccc1 ZINC000025149080 553795860 /nfs/dbraw/zinc/79/58/60/553795860.db2.gz DLPNZDRZRNXZHN-MUUNZHRXSA-N 0 0 508.578 4.889 50 0 KJAARN CC(=O)O[C@H](C(=O)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1)c1ccccc1 ZINC000025149083 553795950 /nfs/dbraw/zinc/79/59/50/553795950.db2.gz DLPNZDRZRNXZHN-NDEPHWFRSA-N 0 0 508.578 4.889 50 0 KJAARN COc1ccc(CCN(C)C(=O)c2cccc(-c3ncc(C(=O)NCc4cccc(C)c4)cn3)c2)cc1OC ZINC000025150229 553796080 /nfs/dbraw/zinc/79/60/80/553796080.db2.gz ADQQORDGIOPWKU-UHFFFAOYSA-N 0 0 524.621 4.714 50 0 KJAARN O=C(c1ccc(Cl)nc1)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 ZINC000025150679 553796445 /nfs/dbraw/zinc/79/64/45/553796445.db2.gz UICAOSKCLKDBIE-UHFFFAOYSA-N 0 0 502.022 4.850 50 0 KJAARN COc1ccc(CCN(C)C(=O)c2cccc(-c3ncc(C(=O)N(C)Cc4ccccc4)cn3)c2)cc1OC ZINC000025150944 553796449 /nfs/dbraw/zinc/79/64/49/553796449.db2.gz UQRYUWBKZQLIDA-UHFFFAOYSA-N 0 0 524.621 4.748 50 0 KJAARN COc1ccc(CCN(C)C(=O)c2cncn2-c2cccc(-c3ccc(OC)c(OC)c3)c2)cc1OC ZINC000025151133 553796586 /nfs/dbraw/zinc/79/65/86/553796586.db2.gz AHGIYFNJBDDGPI-UHFFFAOYSA-N 0 0 501.583 4.888 50 0 KJAARN COc1ccc(CCN(C)C(=O)c2cccc(-c3ncc(C(=O)NCc4ccccc4F)cn3)c2)cc1OC ZINC000025151337 553796658 /nfs/dbraw/zinc/79/66/58/553796658.db2.gz PLPJLXFEJPAGCY-UHFFFAOYSA-N 0 0 528.584 4.545 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)cc2)n(-c2ccccc2C)n1 ZINC000025151526 553796570 /nfs/dbraw/zinc/79/65/70/553796570.db2.gz PASQECUURCCDCI-UHFFFAOYSA-N 0 0 508.622 4.916 50 0 KJAARN O=C(c1cccnc1Cl)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 ZINC000025151551 553796662 /nfs/dbraw/zinc/79/66/62/553796662.db2.gz WXPUPSXQRVUGBS-UHFFFAOYSA-N 0 0 502.022 4.850 50 0 KJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000025151576 553796628 /nfs/dbraw/zinc/79/66/28/553796628.db2.gz XFGLGIVYGBUJGV-MHZLTWQESA-N 0 0 523.582 4.535 50 0 KJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000025151579 553796611 /nfs/dbraw/zinc/79/66/11/553796611.db2.gz XFGLGIVYGBUJGV-HHHXNRCGSA-N 0 0 523.582 4.535 50 0 KJAARN COc1cc(-c2cnn3c2ncc(C(=O)N2CCC(Cc4ccccc4)CC2)c3C)cc(OC)c1OC ZINC000025151644 553796615 /nfs/dbraw/zinc/79/66/15/553796615.db2.gz PITHBHZZXDWFIZ-UHFFFAOYSA-N 0 0 500.599 4.825 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000025151745 553796681 /nfs/dbraw/zinc/79/66/81/553796681.db2.gz WUPRNYAFTAVZFM-UHFFFAOYSA-N 0 0 512.585 4.746 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)n(-c2ccccc2Cl)n1 ZINC000025152043 553796977 /nfs/dbraw/zinc/79/69/77/553796977.db2.gz SLSRCMRYQSVCRX-UHFFFAOYSA-N 0 0 504.974 4.925 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000025152247 553796970 /nfs/dbraw/zinc/79/69/70/553796970.db2.gz NTMTUTGLFXPYKR-UHFFFAOYSA-N 0 0 512.585 4.746 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)COc4ccccc4)CC3)cc2)n(-c2ccccc2C)n1 ZINC000025153233 553797140 /nfs/dbraw/zinc/79/71/40/553797140.db2.gz OGPRNJKBKMVWLR-UHFFFAOYSA-N 0 0 524.621 4.752 50 0 KJAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1 ZINC000025153523 553797521 /nfs/dbraw/zinc/79/75/21/553797521.db2.gz MMMZMAPGCKYUFQ-UHFFFAOYSA-N 0 0 504.587 4.894 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000025153546 553797528 /nfs/dbraw/zinc/79/75/28/553797528.db2.gz ZBWMOBIIXNJYND-UHFFFAOYSA-N 0 0 510.594 4.687 50 0 KJAARN COc1cc(C(=O)N2CCN(c3nccc(-c4ccc(Oc5ccccc5)cc4)n3)CC2)cc(OC)c1OC ZINC000025153904 553797733 /nfs/dbraw/zinc/79/77/33/553797733.db2.gz JPEMLYSKEGUKSH-UHFFFAOYSA-N 0 0 526.593 4.924 50 0 KJAARN O=S(=O)(c1ccc(F)cc1F)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1 ZINC000025154299 553797991 /nfs/dbraw/zinc/79/79/91/553797991.db2.gz CFOOPYJYVRZHTD-UHFFFAOYSA-N 0 0 508.550 4.725 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000025154302 553797949 /nfs/dbraw/zinc/79/79/49/553797949.db2.gz UVYCWIDVAYZHCJ-UHFFFAOYSA-N 0 0 524.621 4.616 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 ZINC000025154375 553797946 /nfs/dbraw/zinc/79/79/46/553797946.db2.gz FWXAOJYXXIHEMQ-UHFFFAOYSA-N 0 0 510.598 4.530 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4c(C)noc4C)CC3)cc2)n(-c2ccccc2C)n1 ZINC000025154536 553798015 /nfs/dbraw/zinc/79/80/15/553798015.db2.gz KAZCQFDCVZJHDL-UHFFFAOYSA-N 0 0 513.598 4.592 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000025154588 553798168 /nfs/dbraw/zinc/79/81/68/553798168.db2.gz XLQCJHDGHIBGCO-UHFFFAOYSA-N 0 0 516.548 4.957 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000025154625 553798206 /nfs/dbraw/zinc/79/82/06/553798206.db2.gz UWJALOKZEDSHOA-UHFFFAOYSA-N 0 0 504.587 4.879 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000025154781 553798269 /nfs/dbraw/zinc/79/82/69/553798269.db2.gz CLMUUZOVNVEANR-UHFFFAOYSA-N 0 0 516.548 4.957 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000025154963 553798164 /nfs/dbraw/zinc/79/81/64/553798164.db2.gz TYHUMLZQIRKOPT-UHFFFAOYSA-N 0 0 516.548 4.957 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)Cc4cccs4)CC3)cc2)n(-c2ccccc2C)n1 ZINC000025154973 553798211 /nfs/dbraw/zinc/79/82/11/553798211.db2.gz TXCGDTAYXCGXBQ-UHFFFAOYSA-N 0 0 514.651 4.977 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000025155003 553798242 /nfs/dbraw/zinc/79/82/42/553798242.db2.gz XDXIYPXNAXBDFY-UHFFFAOYSA-N 0 0 504.587 4.879 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000025155112 553798451 /nfs/dbraw/zinc/79/84/51/553798451.db2.gz JHKPOEDGSZKXSN-UHFFFAOYSA-N 0 0 516.548 4.957 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)Cc4cccs4)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000025155191 553798531 /nfs/dbraw/zinc/79/85/31/553798531.db2.gz MUHODDNKPQOYIH-UHFFFAOYSA-N 0 0 518.614 4.808 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccccc4F)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000025155675 553798790 /nfs/dbraw/zinc/79/87/90/553798790.db2.gz RTWZERRLWWCTII-UHFFFAOYSA-N 0 0 516.548 4.957 50 0 KJAARN CC(C)(C)c1ccc(-c2ccnc3nc(N4CCN(C(=O)C5=COc6ccc(Cl)cc6C5)CC4)nn32)cc1 ZINC000025155730 553798784 /nfs/dbraw/zinc/79/87/84/553798784.db2.gz XFVZLJADERBXMU-UHFFFAOYSA-N 0 0 529.044 4.910 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)Cc4cccs4)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000025155745 553798737 /nfs/dbraw/zinc/79/87/37/553798737.db2.gz IVXYKPZQQBWCHU-UHFFFAOYSA-N 0 0 518.614 4.808 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)cc2)n(-c2ccccc2OC)n1 ZINC000025156019 553798751 /nfs/dbraw/zinc/79/87/51/553798751.db2.gz SKJMBHWTHPHRCL-UHFFFAOYSA-N 0 0 524.621 4.616 50 0 KJAARN 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CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccc(C)c4)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000025156657 553798965 /nfs/dbraw/zinc/79/89/65/553798965.db2.gz UVAOKTMHOPGALD-UHFFFAOYSA-N 0 0 524.621 4.995 50 0 KJAARN COc1cc(OC)cc(C(=O)N2CCN(c3nc4nccc(-c5ccc(C6CCCCC6)cc5)n4n3)CC2)c1 ZINC000025156737 553799375 /nfs/dbraw/zinc/79/93/75/553799375.db2.gz GUBWLJCFYXURCV-UHFFFAOYSA-N 0 0 526.641 4.819 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000025156855 553799336 /nfs/dbraw/zinc/79/93/36/553799336.db2.gz FIBSIHFRFJPZGN-UHFFFAOYSA-N 0 0 528.584 4.826 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000025156872 553799339 /nfs/dbraw/zinc/79/93/39/553799339.db2.gz CPFLYWAJIZTUMO-UHFFFAOYSA-N 0 0 524.621 4.995 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000025157255 553799649 /nfs/dbraw/zinc/79/96/49/553799649.db2.gz LWDKVESPHAUSHO-UHFFFAOYSA-N 0 0 528.584 4.826 50 0 KJAARN 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Cn1c2ccccc2c(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1-c1ccccc1 ZINC000025390956 553807300 /nfs/dbraw/zinc/80/73/00/553807300.db2.gz YCRBWKPDLGJWRO-UHFFFAOYSA-N 0 0 508.043 4.688 50 0 KJAARN COC(=O)c1cc(Br)ccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000025391007 553807278 /nfs/dbraw/zinc/80/72/78/553807278.db2.gz TWMLENVFOOKNOR-UHFFFAOYSA-N 0 0 517.401 4.622 50 0 KJAARN CC(C)N(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 ZINC000025391327 553807264 /nfs/dbraw/zinc/80/72/64/553807264.db2.gz GTXQPAPKNZOJNB-UHFFFAOYSA-N 0 0 513.015 4.690 50 0 KJAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C ZINC000025391760 553807311 /nfs/dbraw/zinc/80/73/11/553807311.db2.gz YQGBGUVSSCWYSG-OAQYLSRUSA-N 0 0 510.974 4.749 50 0 KJAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C ZINC000025391767 553807291 /nfs/dbraw/zinc/80/72/91/553807291.db2.gz YQGBGUVSSCWYSG-NRFANRHFSA-N 0 0 510.974 4.749 50 0 KJAARN CCCn1c(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000025393564 553807626 /nfs/dbraw/zinc/80/76/26/553807626.db2.gz MWWLZBJTWHSDIQ-UHFFFAOYSA-N 0 0 513.985 4.917 50 0 KJAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000025393850 553807818 /nfs/dbraw/zinc/80/78/18/553807818.db2.gz ZROGJGWKFBTBIF-UHFFFAOYSA-N 0 0 521.079 4.889 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc2N2CCCCC2)cc1 ZINC000025396162 553808131 /nfs/dbraw/zinc/80/81/31/553808131.db2.gz KXDFWJZORSPJBG-UHFFFAOYSA-N 0 0 529.684 4.904 50 0 KJAARN COc1cc(C(=O)OCC(=O)NC(=O)CCSc2ccccc2)ccc1OCc1ccccc1Cl ZINC000025396965 553808440 /nfs/dbraw/zinc/80/84/40/553808440.db2.gz PRZRHGFRYBWHNB-UHFFFAOYSA-N 0 0 513.999 4.910 50 0 KJAARN CCCN(CC1CC1)C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000025425020 553809186 /nfs/dbraw/zinc/80/91/86/553809186.db2.gz XUPFMWDMEQWHEN-ACCUITESSA-N 0 0 501.583 4.516 50 0 KJAARN Cc1ccc(Nc2nc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)cs2)cc1 ZINC000025425477 553809226 /nfs/dbraw/zinc/80/92/26/553809226.db2.gz HGAWAUGLCCQBAH-UHFFFAOYSA-N 0 0 507.685 4.920 50 0 KJAARN CCOC(=O)c1ccc(Oc2c(=O)c3ccc(OC(C)=O)c(COC(C)=O)c3oc2C(F)(F)F)cc1 ZINC000025560098 553810064 /nfs/dbraw/zinc/81/00/64/553810064.db2.gz HKRNPGGRBRZFMC-UHFFFAOYSA-N 0 0 508.401 4.769 50 0 KJAARN COc1cc(C(=O)N[C@@H](NC(=S)Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000025577813 553811129 /nfs/dbraw/zinc/81/11/29/553811129.db2.gz ZXVKPVLNWSZYPW-IBGZPJMESA-N 0 0 520.866 4.742 50 0 KJAARN COc1cc(C(=O)N[C@H](NC(=S)Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000025577819 553811162 /nfs/dbraw/zinc/81/11/62/553811162.db2.gz ZXVKPVLNWSZYPW-LJQANCHMSA-N 0 0 520.866 4.742 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 ZINC000025581132 553811728 /nfs/dbraw/zinc/81/17/28/553811728.db2.gz CUXLUOPJZYSARC-KOEQRZSOSA-N 0 0 505.603 4.926 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1C ZINC000025581426 553811681 /nfs/dbraw/zinc/81/16/81/553811681.db2.gz QDDMZMNSTUFFEP-KOEQRZSOSA-N 0 0 505.603 4.926 50 0 KJAARN CCOC(=O)C(=O)Nc1c(Cl)cc(Cc2ccc(Cl)c(NC(=O)C(=O)OCC)c2CC)cc1CC ZINC000025586125 553812232 /nfs/dbraw/zinc/81/22/32/553812232.db2.gz AAVHCVUVSMLNLL-UHFFFAOYSA-N 0 0 523.413 4.712 50 0 KJAARN CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000025693645 553812700 /nfs/dbraw/zinc/81/27/00/553812700.db2.gz RZALXTGXYWHDDL-ICTDUYRTSA-N 0 0 502.611 4.798 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000025693650 553812817 /nfs/dbraw/zinc/81/28/17/553812817.db2.gz RZALXTGXYWHDDL-CAVYSCNFSA-N 0 0 502.611 4.798 50 0 KJAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000025693766 553812733 /nfs/dbraw/zinc/81/27/33/553812733.db2.gz KEMRZRCRVZRAFL-NJTBCWBZSA-N 0 0 518.610 4.504 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000025693776 553812761 /nfs/dbraw/zinc/81/27/61/553812761.db2.gz KEMRZRCRVZRAFL-PUUVEUEGSA-N 0 0 518.610 4.504 50 0 KJAARN O=C(CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)Nc1cc(Cl)ccc1Cl ZINC000025720957 553812998 /nfs/dbraw/zinc/81/29/98/553812998.db2.gz TVGNWAYHVBSECU-UHFFFAOYSA-N 0 0 506.459 4.760 50 0 KJAARN O=c1c2c3c(sc2nc(SC[C@@H]2CN(Cc4ccccc4)CCO2)n1Cc1ccccc1)CCC3 ZINC000025747149 571360673 /nfs/dbraw/zinc/36/06/73/571360673.db2.gz AJHPMUBNVCPGOM-QFIPXVFZSA-N 0 0 503.693 4.988 50 0 KJAARN O=c1c2c3c(sc2nc(SC[C@H]2CN(Cc4ccccc4)CCO2)n1Cc1ccccc1)CCC3 ZINC000025747156 571360700 /nfs/dbraw/zinc/36/07/00/571360700.db2.gz AJHPMUBNVCPGOM-JOCHJYFZSA-N 0 0 503.693 4.988 50 0 KJAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000025748695 561762766 /nfs/dbraw/zinc/76/27/66/561762766.db2.gz SMFLETPVHSACRZ-UHFFFAOYSA-N 0 0 504.637 4.524 50 0 KJAARN C=COCCCCOC(=O)c1ccc(C(=O)OCCCCOC=C)c(C(=O)OCCCCOC=C)c1 ZINC000025759436 571360709 /nfs/dbraw/zinc/36/07/09/571360709.db2.gz XOTMHFNWERTCLG-UHFFFAOYSA-N 0 0 504.576 4.978 50 0 KJAARN CCOc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000025763456 553813302 /nfs/dbraw/zinc/81/33/02/553813302.db2.gz IKLIEAWWBRMPRH-GOSISDBHSA-N 0 0 506.839 4.515 50 0 KJAARN CCOc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000025763460 553813327 /nfs/dbraw/zinc/81/33/27/553813327.db2.gz IKLIEAWWBRMPRH-SFHVURJKSA-N 0 0 506.839 4.515 50 0 KJAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000025777922 553813514 /nfs/dbraw/zinc/81/35/14/553813514.db2.gz VANXFVVWJINEEP-UHFFFAOYSA-N 0 0 512.882 4.733 50 0 KJAARN CCOC(=O)c1[nH]c(-c2ccc(-c3[nH]c(C(=O)OCC)c(C)c3C(=O)OCC)o2)c(C(=O)OCC)c1C ZINC000025783419 553813825 /nfs/dbraw/zinc/81/38/25/553813825.db2.gz YBWDRFVINUETQI-UHFFFAOYSA-N 0 0 514.531 4.593 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1C ZINC000025784165 553814529 /nfs/dbraw/zinc/81/45/29/553814529.db2.gz RANVZRQZTQVBBF-HZHRSRAPSA-N 0 0 511.632 4.987 50 0 KJAARN CC1(C)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@@H]1O ZINC000026020766 553814420 /nfs/dbraw/zinc/81/44/20/553814420.db2.gz RZHDQAKIFAATRF-RPBOFIJWSA-N 0 0 531.078 4.518 50 0 KJAARN CCCCOc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OCC ZINC000026503212 553818973 /nfs/dbraw/zinc/81/89/73/553818973.db2.gz UBNFJZASICDTEQ-XSFVSMFZSA-N 0 0 500.418 4.706 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OC ZINC000026687233 553820315 /nfs/dbraw/zinc/82/03/15/553820315.db2.gz AYNHCQIEVHTZQN-ZHZULCJRSA-N 0 0 500.418 4.706 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n32)cc1 ZINC000026687487 553820367 /nfs/dbraw/zinc/82/03/67/553820367.db2.gz AYNWNRKCRRKMFY-FNUHDPNESA-N 0 0 517.434 4.502 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n32)cc1 ZINC000026687491 553820300 /nfs/dbraw/zinc/82/03/00/553820300.db2.gz AYNWNRKCRRKMFY-PZDOZLBDSA-N 0 0 517.434 4.502 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000026687952 553820445 /nfs/dbraw/zinc/82/04/45/553820445.db2.gz BTPZPOBYWJHIFE-RUZDIDTESA-N 0 0 502.596 4.761 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000026687956 553820536 /nfs/dbraw/zinc/82/05/36/553820536.db2.gz BTPZPOBYWJHIFE-VWLOTQADSA-N 0 0 502.596 4.761 50 0 KJAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1)c1ccccc1Br ZINC000026688474 553820646 /nfs/dbraw/zinc/82/06/46/553820646.db2.gz QCPLBKAFYRWLEM-UHFFFAOYSA-N 0 0 506.447 5.000 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000026688596 553820574 /nfs/dbraw/zinc/82/05/74/553820574.db2.gz JDPRVCRPSNUIEG-NRFANRHFSA-N 0 0 514.365 4.764 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000026688600 553820593 /nfs/dbraw/zinc/82/05/93/553820593.db2.gz JDPRVCRPSNUIEG-OAQYLSRUSA-N 0 0 514.365 4.764 50 0 KJAARN CC(C)c1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000026771602 553820835 /nfs/dbraw/zinc/82/08/35/553820835.db2.gz LZWHFSAJCZFROC-DQEYMECFSA-N 0 0 542.721 4.527 50 0 biogenic KJAARN CCCOc1ccc(-c2nc3s/c(=C/c4ccc(-c5ccc(C(=O)OCC)cc5)o4)c(=O)n3n2)cc1 ZINC000026779643 553820938 /nfs/dbraw/zinc/82/09/38/553820938.db2.gz DYTQGKYVTWGOQW-XQNSMLJCSA-N 0 0 501.564 4.591 50 0 KJAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000026963046 553822064 /nfs/dbraw/zinc/82/20/64/553822064.db2.gz XBQWAGXVEAWUIM-UHFFFAOYSA-N 0 0 524.397 4.867 50 0 KJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000026963413 553822348 /nfs/dbraw/zinc/82/23/48/553822348.db2.gz NMAZIMALCCCPBS-UHFFFAOYSA-N 0 0 520.365 4.559 50 0 KJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)COc2ccc(Cl)cc2)cc1 ZINC000026963684 553822319 /nfs/dbraw/zinc/82/23/19/553822319.db2.gz HOYOHZYBFYRNOE-UHFFFAOYSA-N 0 0 513.974 4.685 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C(=Cc2ccc(F)cc2)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000026963793 553822292 /nfs/dbraw/zinc/82/22/92/553822292.db2.gz OLNAFNQMHRUNGX-UHFFFAOYSA-N 0 0 504.514 4.840 50 0 KJAARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)ccc1OC(=O)c1ccco1 ZINC000026963804 553822334 /nfs/dbraw/zinc/82/23/34/553822334.db2.gz NIMZCHLPMLRSQQ-CLCOLTQESA-N 0 0 510.546 4.637 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 ZINC000026963967 553822345 /nfs/dbraw/zinc/82/23/45/553822345.db2.gz CUXLUOPJZYSARC-UQQQWYQISA-N 0 0 505.603 4.926 50 0 KJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)C=Cc2ccccc2Cl)c(OC)c1 ZINC000026964068 553822353 /nfs/dbraw/zinc/82/23/53/553822353.db2.gz HJULOCORPYFIMU-ACCUITESSA-N 0 0 511.958 4.548 50 0 KJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 ZINC000026964855 553822638 /nfs/dbraw/zinc/82/26/38/553822638.db2.gz QCVNRCSJJXUVGV-UHFFFAOYSA-N 0 0 513.974 4.929 50 0 KJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000026964864 553822604 /nfs/dbraw/zinc/82/26/04/553822604.db2.gz KTSRHPUGSQCBPN-UHFFFAOYSA-N 0 0 513.974 4.929 50 0 KJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 ZINC000027016173 553822895 /nfs/dbraw/zinc/82/28/95/553822895.db2.gz QYCZGVPQNURXEI-UHFFFAOYSA-N 0 0 512.440 4.919 50 0 KJAARN CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Br)cc1 ZINC000027017112 553823106 /nfs/dbraw/zinc/82/31/06/553823106.db2.gz OMOJAWGRXBNALN-NRFANRHFSA-N 0 0 508.372 4.844 50 0 KJAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Br)cc1 ZINC000027017117 553823162 /nfs/dbraw/zinc/82/31/62/553823162.db2.gz OMOJAWGRXBNALN-OAQYLSRUSA-N 0 0 508.372 4.844 50 0 KJAARN O=C(NCCCN1CCOCC1)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 ZINC000027017475 553823382 /nfs/dbraw/zinc/82/33/82/553823382.db2.gz LVKFFOJYALHEDI-SZXQPVLSSA-N 0 0 520.029 4.742 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1C ZINC000027018510 553823387 /nfs/dbraw/zinc/82/33/87/553823387.db2.gz QDDMZMNSTUFFEP-UQQQWYQISA-N 0 0 505.603 4.926 50 0 KJAARN COc1ccc(CCn2c(-c3ccc(S(=O)(=O)N(C)C)cc3)cs/c2=N\c2ccccc2)cc1OC ZINC000027019165 553823771 /nfs/dbraw/zinc/82/37/71/553823771.db2.gz CNPLBQLVVGMYCV-DQSJHHFOSA-N 0 0 523.680 4.959 50 0 KJAARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000027019507 553823765 /nfs/dbraw/zinc/82/37/65/553823765.db2.gz RLCSJTTYIJUBHM-FQEVSTJZSA-N 0 0 502.329 4.894 50 0 KJAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 ZINC000027019512 553823742 /nfs/dbraw/zinc/82/37/42/553823742.db2.gz RLCSJTTYIJUBHM-HXUWFJFHSA-N 0 0 502.329 4.894 50 0 KJAARN COc1ccc(N(C(=O)COc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000027019740 553823791 /nfs/dbraw/zinc/82/37/91/553823791.db2.gz GZQYYMQJSLDCQV-UHFFFAOYSA-N 0 0 510.793 4.912 50 0 KJAARN COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 ZINC000027020771 553823966 /nfs/dbraw/zinc/82/39/66/553823966.db2.gz PRAWBHTWDWKXLI-HHHXNRCGSA-N 0 0 518.614 4.782 50 0 KJAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 ZINC000027020777 553824051 /nfs/dbraw/zinc/82/40/51/553824051.db2.gz PRAWBHTWDWKXLI-MHZLTWQESA-N 0 0 518.614 4.782 50 0 KJAARN COC(=O)c1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1 ZINC000027023263 553824341 /nfs/dbraw/zinc/82/43/41/553824341.db2.gz NOASFEXCILASKD-QFIPXVFZSA-N 0 0 503.580 4.996 50 0 KJAARN COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1 ZINC000027023268 553824333 /nfs/dbraw/zinc/82/43/33/553824333.db2.gz NOASFEXCILASKD-JOCHJYFZSA-N 0 0 503.580 4.996 50 0 KJAARN COCCCNC(=O)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccc(OC)cc1 ZINC000027024109 553824635 /nfs/dbraw/zinc/82/46/35/553824635.db2.gz UCTAEICKGQFVKJ-JWGURIENSA-N 0 0 502.489 4.898 50 0 KJAARN O=C(NCCCn1ccnc1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccccc1 ZINC000027024860 553824565 /nfs/dbraw/zinc/82/45/65/553824565.db2.gz BNTJUHMOWCIFOV-PLRJNAJWSA-N 0 0 522.634 4.775 50 0 KJAARN O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000027025618 553824872 /nfs/dbraw/zinc/82/48/72/553824872.db2.gz YQNFHGNEPXUQMR-OPYAIIAOSA-N 0 0 509.278 4.813 50 0 KJAARN O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000027025624 553824877 /nfs/dbraw/zinc/82/48/77/553824877.db2.gz YQNFHGNEPXUQMR-DBXWQHBBSA-N 0 0 509.278 4.813 50 0 KJAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000027075522 553824866 /nfs/dbraw/zinc/82/48/66/553824866.db2.gz FLGOUJZMAHKHJV-QUMGSSFMSA-N 0 0 512.949 4.664 50 0 KJAARN CN(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000027471656 553825987 /nfs/dbraw/zinc/82/59/87/553825987.db2.gz IGGIYNKGZBIYSG-OMYAATJGSA-N 0 0 501.536 4.584 50 0 KJAARN O=C(OCCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000027473902 553825849 /nfs/dbraw/zinc/82/58/49/553825849.db2.gz GKHIKVUAOGOSDY-UHFFFAOYSA-N 0 0 513.377 4.826 50 0 KJAARN COc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(I)c1OC(C)=O ZINC000027519269 553826700 /nfs/dbraw/zinc/82/67/00/553826700.db2.gz MWXKTSMTTSUOID-WOJGMQOQSA-N 0 0 519.335 4.867 50 0 KJAARN COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccccc2Br)cc(OC)c1OC ZINC000027521690 553828163 /nfs/dbraw/zinc/82/81/63/553828163.db2.gz JJXJEGVWBZXRFV-DEDYPNTBSA-N 0 0 511.372 4.885 50 0 KJAARN COc1ccccc1/C=C(\NC(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1Br ZINC000027522758 553829335 /nfs/dbraw/zinc/82/93/35/553829335.db2.gz ZOHJPAZRZHHYFO-ZHZULCJRSA-N 0 0 511.372 4.885 50 0 KJAARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)C=Cc2ccc(Br)cc2)cc1OC ZINC000027527604 553830687 /nfs/dbraw/zinc/83/06/87/553830687.db2.gz XFGZNNXXXRPOJD-NTEUORMPSA-N 0 0 506.356 4.627 50 0 KJAARN COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2NC(=O)C=Cc2ccc(Br)cc2)c1 ZINC000027527614 553830596 /nfs/dbraw/zinc/83/05/96/553830596.db2.gz GLUTZMCXFAYEPM-FMIVXFBMSA-N 0 0 506.356 4.627 50 0 KJAARN COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000027527617 553830517 /nfs/dbraw/zinc/83/05/17/553830517.db2.gz YTFRNICKIVDKKC-UHFFFAOYSA-N 0 0 500.338 4.537 50 0 KJAARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cc(Br)ccc2Cl)cc1OC ZINC000027528422 553831653 /nfs/dbraw/zinc/83/16/53/553831653.db2.gz VVIQMZCCMWAHLC-UHFFFAOYSA-N 0 0 514.763 4.881 50 0 KJAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000027528435 553831560 /nfs/dbraw/zinc/83/15/60/553831560.db2.gz TZIQXCUVYMLTAS-UHFFFAOYSA-N 0 0 512.330 4.501 50 0 KJAARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000027528458 553831647 /nfs/dbraw/zinc/83/16/47/553831647.db2.gz VWZHYOBVRJHEOP-UHFFFAOYSA-N 0 0 500.338 4.537 50 0 KJAARN COc1cc(-c2nc3ccccc3c(=O)n2NCc2cc(Br)ccc2F)cc(OC)c1OC ZINC000027531463 553831988 /nfs/dbraw/zinc/83/19/88/553831988.db2.gz QDGMOKNTNAFOLC-UHFFFAOYSA-N 0 0 514.351 4.735 50 0 KJAARN COc1cc(OC)c(NC(=O)c2cnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1Cl ZINC000027534613 553832598 /nfs/dbraw/zinc/83/25/98/553832598.db2.gz SLMOIKWYNLCRGX-UHFFFAOYSA-N 0 0 503.990 4.879 50 0 KJAARN O=C(c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 ZINC000027534623 553832611 /nfs/dbraw/zinc/83/26/11/553832611.db2.gz JQQHQPKOGULZSL-UHFFFAOYSA-N 0 0 513.045 4.572 50 0 KJAARN COc1ccccc1N1CCN(c2ncc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)CC1 ZINC000027534684 553832604 /nfs/dbraw/zinc/83/26/04/553832604.db2.gz CATDEEABPNSAEY-UHFFFAOYSA-N 0 0 507.638 4.532 50 0 KJAARN COc1ccccc1N1CCN(c2ncc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc32)CC1 ZINC000027534698 553832655 /nfs/dbraw/zinc/83/26/55/553832655.db2.gz UPNKUWFNMOUFGO-UHFFFAOYSA-N 0 0 528.609 4.848 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000027548334 553833274 /nfs/dbraw/zinc/83/32/74/553833274.db2.gz LQCXIHJBOXZNRB-ZGOFBEGVSA-N 0 0 529.662 4.560 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000027548336 553833207 /nfs/dbraw/zinc/83/32/07/553833207.db2.gz LQCXIHJBOXZNRB-BIWBSIMWSA-N 0 0 529.662 4.560 50 0 KJAARN COc1ccc(C(=O)COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027548509 553833571 /nfs/dbraw/zinc/83/35/71/553833571.db2.gz MGJPUIUYHHEUTK-ZHDSAPGSSA-N 0 0 514.622 4.846 50 0 KJAARN COc1ccc(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027548514 553833556 /nfs/dbraw/zinc/83/35/56/553833556.db2.gz MGJPUIUYHHEUTK-HXIVJVBPSA-N 0 0 514.622 4.846 50 0 KJAARN O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000027570191 553835222 /nfs/dbraw/zinc/83/52/22/553835222.db2.gz ONXSIEQXXUTTQY-UHFFFAOYSA-N 0 0 512.893 4.922 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)nc2-c2ccc(OC)cc2)cc1 ZINC000027571191 553835203 /nfs/dbraw/zinc/83/52/03/553835203.db2.gz QCBRSMGIJLZYSG-UHFFFAOYSA-N 0 0 518.595 4.971 50 0 KJAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(F)cc2)c(C(=O)Nc2cccc(Cl)c2)n1 ZINC000027580083 553835437 /nfs/dbraw/zinc/83/54/37/553835437.db2.gz DVDXCWZRMDEGTL-UHFFFAOYSA-N 0 0 514.966 4.725 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)o2)c(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000027582885 553835458 /nfs/dbraw/zinc/83/54/58/553835458.db2.gz VXRZOPPGQXWRLA-UHFFFAOYSA-N 0 0 508.600 4.841 50 0 KJAARN COc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000027583306 553835441 /nfs/dbraw/zinc/83/54/41/553835441.db2.gz QSXUXYLDEHEBSN-UHFFFAOYSA-N 0 0 520.611 4.558 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(F)c2)c(C(=O)Nc2cccc(C)c2)n1 ZINC000027583312 553835595 /nfs/dbraw/zinc/83/55/95/553835595.db2.gz HUCQOMJMFDFQLP-UHFFFAOYSA-N 0 0 508.575 4.770 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(Cl)cc2)c(C(=O)Nc2ccccc2)n1 ZINC000027583317 553835496 /nfs/dbraw/zinc/83/54/96/553835496.db2.gz KRTWUCIDBVQKQZ-UHFFFAOYSA-N 0 0 511.003 4.976 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(Cl)c2)c(C(=O)Nc2ccccc2)n1 ZINC000027583326 553835476 /nfs/dbraw/zinc/83/54/76/553835476.db2.gz ZNAIOUPVLPKFOI-UHFFFAOYSA-N 0 0 511.003 4.976 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)o2)c(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000027661979 553835794 /nfs/dbraw/zinc/83/57/94/553835794.db2.gz ANINUIXVJZWUJO-UHFFFAOYSA-N 0 0 514.991 4.877 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)o2)c(C(=O)Nc2ccccc2Cl)n1 ZINC000027661982 553835708 /nfs/dbraw/zinc/83/57/08/553835708.db2.gz QRIOEPGFJWIKFF-UHFFFAOYSA-N 0 0 514.991 4.877 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccccc2Cl)n1 ZINC000027661986 553835804 /nfs/dbraw/zinc/83/58/04/553835804.db2.gz DAKYZMWQBLLEJV-UHFFFAOYSA-N 0 0 500.964 4.569 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000027661988 553835716 /nfs/dbraw/zinc/83/57/16/553835716.db2.gz CICHQDZCOSNRFS-UHFFFAOYSA-N 0 0 500.964 4.569 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2F)c(C(=O)Nc2cccc(C)c2)n1 ZINC000027661994 553835842 /nfs/dbraw/zinc/83/58/42/553835842.db2.gz NFRYFBOWCQYNKW-UHFFFAOYSA-N 0 0 508.575 4.770 50 0 KJAARN Cc1cccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2cccc(Cl)c2)c1 ZINC000027746370 553836202 /nfs/dbraw/zinc/83/62/02/553836202.db2.gz HWBQESMNUJDUIO-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN Cc1cccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(Cl)cc2)c1 ZINC000027747607 553836153 /nfs/dbraw/zinc/83/61/53/553836153.db2.gz DGIVMQCAFBVILG-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN Cc1ccccc1NC(=O)c1nc(S(C)(=O)=O)ncc1N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000027747632 553836094 /nfs/dbraw/zinc/83/60/94/553836094.db2.gz KKPRJOQDULSQSO-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN Cc1ccccc1NC(=O)c1nc(S(C)(=O)=O)ncc1N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000027747641 553836117 /nfs/dbraw/zinc/83/61/17/553836117.db2.gz XLGUQGWFRJPVBW-UHFFFAOYSA-N 0 0 511.003 4.894 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)cc2)c(C(=O)Nc2ccc(OC)cc2)n1 ZINC000027748148 553836439 /nfs/dbraw/zinc/83/64/39/553836439.db2.gz IJIOBWUSPWXNCL-UHFFFAOYSA-N 0 0 520.611 4.639 50 0 KJAARN CCOc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)cc2)c1 ZINC000027748624 553836458 /nfs/dbraw/zinc/83/64/58/553836458.db2.gz KDGPYKHMORVTDB-UHFFFAOYSA-N 0 0 520.611 4.639 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)cc2)c(C(=O)Nc2ccccc2F)n1 ZINC000027793125 553836467 /nfs/dbraw/zinc/83/64/67/553836467.db2.gz XZAZGHVQVSOKPY-UHFFFAOYSA-N 0 0 508.575 4.770 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)o2)c(C(=O)Nc2c(C)cccc2C)n1 ZINC000027793133 553836471 /nfs/dbraw/zinc/83/64/71/553836471.db2.gz CWPVJEHRDNICKY-UHFFFAOYSA-N 0 0 508.600 4.841 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(F)cc2)c(C(=O)Nc2ccccc2F)n1 ZINC000027793135 553836404 /nfs/dbraw/zinc/83/64/04/553836404.db2.gz ODGYSPMBRQIQJK-UHFFFAOYSA-N 0 0 512.538 4.601 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2sccc2C)c(C(=O)Nc2ccccc2F)n1 ZINC000027793138 553836456 /nfs/dbraw/zinc/83/64/56/553836456.db2.gz VKBBRPSJSGIRRY-UHFFFAOYSA-N 0 0 514.604 4.831 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccs2)c(C(=O)Nc2ccccc2F)n1 ZINC000027793141 553836450 /nfs/dbraw/zinc/83/64/50/553836450.db2.gz BMCGABWXCKZLEW-UHFFFAOYSA-N 0 0 500.577 4.523 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(F)cc2)c(C(=O)Nc2cccc(C)c2)n1 ZINC000027793153 553836469 /nfs/dbraw/zinc/83/64/69/553836469.db2.gz XBEWBIMKSOHCBE-UHFFFAOYSA-N 0 0 508.575 4.770 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(F)c2)c(C(=O)Nc2ccccc2C)n1 ZINC000027793156 553836435 /nfs/dbraw/zinc/83/64/35/553836435.db2.gz WGNQEQMYBDWNMP-UHFFFAOYSA-N 0 0 508.575 4.770 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(F)c2)c(C(=O)Nc2ccccc2F)n1 ZINC000027793159 553836434 /nfs/dbraw/zinc/83/64/34/553836434.db2.gz VUKPRASKAKNXMT-UHFFFAOYSA-N 0 0 512.538 4.601 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(C)o2)c(C(=O)Nc2cc(C)ccc2C)n1 ZINC000027793162 553836420 /nfs/dbraw/zinc/83/64/20/553836420.db2.gz UQDPCBAPXJCZMD-UHFFFAOYSA-N 0 0 508.600 4.841 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2cccc(F)c2)c(C(=O)Nc2ccc(C)cc2)n1 ZINC000027794884 553836394 /nfs/dbraw/zinc/83/63/94/553836394.db2.gz LVUADSCVZUZUJX-UHFFFAOYSA-N 0 0 508.575 4.770 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000027795018 553836417 /nfs/dbraw/zinc/83/64/17/553836417.db2.gz RMWJWSYMGWMEKL-UHFFFAOYSA-N 0 0 514.991 4.877 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(F)cc2)c(C(=O)Nc2ccccc2C)n1 ZINC000027795020 553836407 /nfs/dbraw/zinc/83/64/07/553836407.db2.gz ZBAZPJNSJMEVIC-UHFFFAOYSA-N 0 0 508.575 4.770 50 0 KJAARN Cc1cccc(CSc2nnc(NC(=O)c3nn(-c4ccc(Br)cc4)ccc3=O)s2)c1 ZINC000027795228 553836401 /nfs/dbraw/zinc/83/64/01/553836401.db2.gz SNGAKZXEHMHBRF-UHFFFAOYSA-N 0 0 514.430 4.700 50 0 KJAARN COc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)c3cccnc32)cc1OC ZINC000027825009 553836452 /nfs/dbraw/zinc/83/64/52/553836452.db2.gz JQKPEOFSPFGFKV-UHFFFAOYSA-N 0 0 503.168 4.545 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000028394013 553841958 /nfs/dbraw/zinc/84/19/58/553841958.db2.gz YFHMAIOACOQNJC-YSFYHYPLSA-N 0 0 504.718 4.687 50 0 KJAARN COC(=O)CCn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000028464460 553842306 /nfs/dbraw/zinc/84/23/06/553842306.db2.gz OAAIQIYXTIDOOM-UHFFFAOYSA-N 0 0 505.093 4.567 50 0 KJAARN Cc1ccc(CSc2nc3cc(C(=O)NCCCN4CCOCC4)ccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000028641563 553843329 /nfs/dbraw/zinc/84/33/29/553843329.db2.gz VPUWHGULVDICSM-UHFFFAOYSA-N 0 0 546.668 4.578 50 0 KJAARN C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/C34CC5CC(CC(C5)C3)C4)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000028862146 553843972 /nfs/dbraw/zinc/84/39/72/553843972.db2.gz RPQWRIJQHPRPED-GPGQQJLTSA-N 0 0 537.741 4.739 50 0 biogenic KJAARN N=c1n(CCOCCOCCn2c3ccccc3n(Cc3ccccc3)c2=N)c2ccccc2n1Cc1ccccc1 ZINC000028899113 553843992 /nfs/dbraw/zinc/84/39/92/553843992.db2.gz UVXSHNYUJZUHEO-UHFFFAOYSA-N 0 0 560.702 4.988 50 0 KJAARN CCOc1ccccc1-n1c(=O)c2ccccc2nc1[C@@H](C)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000029043262 553844089 /nfs/dbraw/zinc/84/40/89/553844089.db2.gz BKQFRNYHFIQEKN-OAQYLSRUSA-N 0 0 547.055 4.722 50 0 in-vitro KJAARN CCOc1ccccc1-n1c(=O)c2ccccc2nc1[C@H](C)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000029043264 553844097 /nfs/dbraw/zinc/84/40/97/553844097.db2.gz BKQFRNYHFIQEKN-NRFANRHFSA-N 0 0 547.055 4.722 50 0 in-vitro KJAARN Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(I)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000029491932 553845222 /nfs/dbraw/zinc/84/52/22/553845222.db2.gz NNYSKEMOWJMCFG-UHFFFAOYSA-N 0 0 636.899 4.820 50 0 KJAARN Cc1c(N(C)C(=O)CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000029492132 553845533 /nfs/dbraw/zinc/84/55/33/553845533.db2.gz ZLFAXVGVXJMFKP-UHFFFAOYSA-N 0 0 528.613 4.626 50 0 KJAARN Cc1ccc(-c2nn(CC(=O)Nc3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)c(=O)c3ccccc32)cc1 ZINC000029503287 553846617 /nfs/dbraw/zinc/84/66/17/553846617.db2.gz KKTASLZPVWYYMP-UHFFFAOYSA-N 0 0 587.680 4.738 50 0 KJAARN COc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000029503390 553846608 /nfs/dbraw/zinc/84/66/08/553846608.db2.gz ABFWIRNUXPXVDM-UHFFFAOYSA-N 0 0 573.653 4.673 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2cc(C(=O)N3CCc4ccccc4C3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000029747340 553847009 /nfs/dbraw/zinc/84/70/09/553847009.db2.gz OWLISFSTIJNBJO-LXFBAYGMSA-N 0 0 604.707 4.940 50 0 KJAARN O=C(Nc1cc2ccccc2cc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000029747481 553847604 /nfs/dbraw/zinc/84/76/04/553847604.db2.gz OKQXYECZHNQRMB-UHFFFAOYSA-N 0 0 560.566 4.651 50 0 KJAARN COc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)c2cc(NC(=O)c4ccc(OC)c(OC)c4OC)ccc2C3)c(OC)c1OC ZINC000029747550 553848223 /nfs/dbraw/zinc/84/82/23/553848223.db2.gz BZBNUTKKLIPQHU-UHFFFAOYSA-N 0 0 648.690 4.980 50 0 KJAARN Cc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000029747696 553848528 /nfs/dbraw/zinc/84/85/28/553848528.db2.gz ICQGISQYMWKVSY-UHFFFAOYSA-N 0 0 718.854 4.517 50 0 KJAARN CCCCn1c(CNC(=O)c2cc(OC)cc(OC)c2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000029747716 553848603 /nfs/dbraw/zinc/84/86/03/553848603.db2.gz CFXSPNPCBNVXKY-UHFFFAOYSA-N 0 0 615.778 4.873 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)[C@@H](CCSC)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000029747753 553848533 /nfs/dbraw/zinc/84/85/33/553848533.db2.gz NFRZVMZFJWNBKP-MKTBVKGBSA-N 0 0 554.668 4.816 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000029747754 553848610 /nfs/dbraw/zinc/84/86/10/553848610.db2.gz NFRZVMZFJWNBKP-NGTCRZMDSA-N 0 0 554.668 4.816 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000029747756 553848629 /nfs/dbraw/zinc/84/86/29/553848629.db2.gz NFRZVMZFJWNBKP-KRRUAPOPSA-N 0 0 554.668 4.816 50 0 KJAARN O=C(c1ccco1)N1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000029747833 553848882 /nfs/dbraw/zinc/84/88/82/553848882.db2.gz HEJVHZPELILUCS-SFHVURJKSA-N 0 0 561.274 4.731 50 0 KJAARN O=C(c1ccco1)N1CCN(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000029747834 553848929 /nfs/dbraw/zinc/84/89/29/553848929.db2.gz HEJVHZPELILUCS-GOSISDBHSA-N 0 0 561.274 4.731 50 0 KJAARN COc1ccc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc32)cc1C(=O)N1CCCCC1 ZINC000029747984 553849499 /nfs/dbraw/zinc/84/94/99/553849499.db2.gz BRYWFCVQMKTRDI-UHFFFAOYSA-N 0 0 531.638 4.631 50 0 KJAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(C(C)C)c(C)cc2OC)CC1 ZINC000029747996 553849550 /nfs/dbraw/zinc/84/95/50/553849550.db2.gz QVDKLHJDXHEJLE-UHFFFAOYSA-N 0 0 552.759 4.653 50 0 KJAARN CCOc1ccc(CCNC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c3ccccc3c2=O)cc1OCC ZINC000029748591 553849832 /nfs/dbraw/zinc/84/98/32/553849832.db2.gz MEFWMDGRYTVAOM-UHFFFAOYSA-N 0 0 632.783 4.703 50 0 KJAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)CC2=O)c1 ZINC000029748833 553850121 /nfs/dbraw/zinc/85/01/21/553850121.db2.gz FMNFULVXOUQGBJ-IBGZPJMESA-N 0 0 569.064 4.728 50 0 KJAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)CC2=O)c1 ZINC000029748837 553850215 /nfs/dbraw/zinc/85/02/15/553850215.db2.gz FMNFULVXOUQGBJ-LJQANCHMSA-N 0 0 569.064 4.728 50 0 KJAARN CNS(=O)(=O)c1cccc2c(NC(=O)[C@@H](CCCCNC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)cccc21 ZINC000029748846 553850101 /nfs/dbraw/zinc/85/01/01/553850101.db2.gz WKNSVOUGPPPOHI-RUZDIDTESA-N 0 0 598.722 4.676 50 0 KJAARN CNS(=O)(=O)c1cccc2c(NC(=O)[C@H](CCCCNC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)cccc21 ZINC000029748851 553850168 /nfs/dbraw/zinc/85/01/68/553850168.db2.gz WKNSVOUGPPPOHI-VWLOTQADSA-N 0 0 598.722 4.676 50 0 KJAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3)C(=O)NCc1ccco1 ZINC000029748885 553850502 /nfs/dbraw/zinc/85/05/02/553850502.db2.gz IPNDBHKQXHVGFM-SSEXGKCCSA-N 0 0 664.781 4.842 50 0 KJAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3)C(=O)NCc1ccco1 ZINC000029748889 553850475 /nfs/dbraw/zinc/85/04/75/553850475.db2.gz IPNDBHKQXHVGFM-PMERELPUSA-N 0 0 664.781 4.842 50 0 KJAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3)C(=O)NCc1cccnc1 ZINC000029748892 553850451 /nfs/dbraw/zinc/85/04/51/553850451.db2.gz MEYDPGWANXQDQO-WJOKGBTCSA-N 0 0 675.808 4.644 50 0 KJAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3)C(=O)NCc1cccnc1 ZINC000029748895 553850372 /nfs/dbraw/zinc/85/03/72/553850372.db2.gz MEYDPGWANXQDQO-HKBQPEDESA-N 0 0 675.808 4.644 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000029748896 553850479 /nfs/dbraw/zinc/85/04/79/553850479.db2.gz KLPXNLQGKALKOF-MHZLTWQESA-N 0 0 583.710 4.832 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000029748899 553850445 /nfs/dbraw/zinc/85/04/45/553850445.db2.gz KLPXNLQGKALKOF-HHHXNRCGSA-N 0 0 583.710 4.832 50 0 KJAARN CCOCCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)Nc2ccc(CC)cc2)c1 ZINC000029748979 553850382 /nfs/dbraw/zinc/85/03/82/553850382.db2.gz PXELSKXYRZWFQL-NOZRDPDXSA-N 0 0 557.695 4.835 50 0 KJAARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000029749035 553850696 /nfs/dbraw/zinc/85/06/96/553850696.db2.gz RFDKJLOCKBPRSR-FSJBWODESA-N 0 0 523.408 4.974 50 0 KJAARN CCOc1ccc(CCNC(=O)CCc2c(C)nc3nc(-c4cc(OC)cc(OC)c4)nn3c2C)cc1OCC ZINC000029749071 553851014 /nfs/dbraw/zinc/85/10/14/553851014.db2.gz IAPQJAGDHUIQKO-UHFFFAOYSA-N 0 0 547.656 4.514 50 0 KJAARN CC(=O)N1CCc2cc(S(=O)(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)ccc21 ZINC000029749103 553851062 /nfs/dbraw/zinc/85/10/62/553851062.db2.gz IZEYLVAMRNKSNO-UHFFFAOYSA-N 0 0 642.077 4.761 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000029749149 553851043 /nfs/dbraw/zinc/85/10/43/553851043.db2.gz QTECREZKBOEWQV-LITSAYRRSA-N 0 0 638.750 4.653 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000029749152 553850995 /nfs/dbraw/zinc/85/09/95/553850995.db2.gz QTECREZKBOEWQV-WNJJXGMVSA-N 0 0 638.750 4.653 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000029749157 553851021 /nfs/dbraw/zinc/85/10/21/553851021.db2.gz QTECREZKBOEWQV-GGXMVOPNSA-N 0 0 638.750 4.653 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000029749160 553851236 /nfs/dbraw/zinc/85/12/36/553851236.db2.gz QTECREZKBOEWQV-UHSQPCAPSA-N 0 0 638.750 4.653 50 0 KJAARN COc1ccc(CCn2c(=O)c3cc(OC)c(OC)cc3nc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1OC ZINC000029749183 553851216 /nfs/dbraw/zinc/85/12/16/553851216.db2.gz OJJVKPSBEOKODY-UHFFFAOYSA-N 0 0 639.528 4.736 50 0 KJAARN O=c1cc(CSc2nc3ccccc3c(=O)n2CCCn2c(=O)c3ccccc3nc2SCc2cc(=O)n3ccccc3n2)nc2ccccn12 ZINC000029749188 553851229 /nfs/dbraw/zinc/85/12/29/553851229.db2.gz YQRBUGMGWQKKAF-UHFFFAOYSA-N 0 0 712.817 4.797 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000029749195 553851241 /nfs/dbraw/zinc/85/12/41/553851241.db2.gz SZGGTOHBUUVFOD-WUFINQPMSA-N 0 0 610.740 4.543 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000029749200 553851326 /nfs/dbraw/zinc/85/13/26/553851326.db2.gz SZGGTOHBUUVFOD-NSOVKSMOSA-N 0 0 610.740 4.543 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000029749204 553851267 /nfs/dbraw/zinc/85/12/67/553851267.db2.gz SZGGTOHBUUVFOD-VSGBNLITSA-N 0 0 610.740 4.543 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000029749208 553851272 /nfs/dbraw/zinc/85/12/72/553851272.db2.gz SZGGTOHBUUVFOD-IZLXSDGUSA-N 0 0 610.740 4.543 50 0 KJAARN COc1ccc(CCNC(=O)CCCCCn2c(SCc3cc(=O)n4ccccc4n3)nc3ccsc3c2=O)cc1OC ZINC000029749214 553851302 /nfs/dbraw/zinc/85/13/02/553851302.db2.gz FBLIWZGTSDHQTQ-UHFFFAOYSA-N 0 0 619.769 4.695 50 0 KJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000029749227 553851311 /nfs/dbraw/zinc/85/13/11/553851311.db2.gz HGFQYINWMWOKEB-LJAQVGFWSA-N 0 0 559.619 4.922 50 0 KJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(C)ccc4O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000029749230 553851259 /nfs/dbraw/zinc/85/12/59/553851259.db2.gz HGFQYINWMWOKEB-GDLZYMKVSA-N 0 0 559.619 4.922 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(CCn3c(C)nc4ccccc43)nn21 ZINC000029749246 553851637 /nfs/dbraw/zinc/85/16/37/553851637.db2.gz LYPPWXCBVZEPIG-UHFFFAOYSA-N 0 0 583.674 4.935 50 0 KJAARN O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)ccc21 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553851864 /nfs/dbraw/zinc/85/18/64/553851864.db2.gz NEXQHAQHOWPHEZ-QABMSTFYSA-N 0 0 545.661 4.953 50 0 KJAARN CCOc1cc([C@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccc(OC)c3ncccc23)ccc1OC ZINC000029749355 553851885 /nfs/dbraw/zinc/85/18/85/553851885.db2.gz NEXQHAQHOWPHEZ-NGQVCNFZSA-N 0 0 545.661 4.953 50 0 KJAARN CCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000029749367 553851938 /nfs/dbraw/zinc/85/19/38/553851938.db2.gz PGBUORADOXOMGZ-UHFFFAOYSA-N 0 0 569.727 4.863 50 0 KJAARN CCOC(=O)c1cnn(CCOC(=O)CSCc2ccc(F)cc2)c1NC(=O)CSCc1ccc(F)cc1 ZINC000029749499 553852318 /nfs/dbraw/zinc/85/23/18/553852318.db2.gz DPZNYBWBWUBGEC-UHFFFAOYSA-N 0 0 563.648 4.687 50 0 KJAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc1)c1cc(Cl)ccc1O2 ZINC000029749595 553852203 /nfs/dbraw/zinc/85/22/03/553852203.db2.gz LWCFSVNOLFYRTE-AYWVHJORSA-N 0 0 561.038 4.796 50 0 KJAARN CC(C)OCCCNC(=O)CCCn1c(SCC(=O)NC2CCCCC2)nc2c3ccccc3sc2c1=O ZINC000029749661 553852513 /nfs/dbraw/zinc/85/25/13/553852513.db2.gz XUMREOSEFJCCHN-UHFFFAOYSA-N 0 0 558.770 4.864 50 0 KJAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749695 553852515 /nfs/dbraw/zinc/85/25/15/553852515.db2.gz JKULJUMNNVOINP-SANMLTNESA-N 0 0 544.142 4.736 50 0 KJAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749697 553852520 /nfs/dbraw/zinc/85/25/20/553852520.db2.gz JKULJUMNNVOINP-AREMUKBSSA-N 0 0 544.142 4.736 50 0 KJAARN O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749699 553852525 /nfs/dbraw/zinc/85/25/25/553852525.db2.gz LOGAJDGCHZWOPB-BVAGGSTKSA-N 0 0 544.142 4.736 50 0 KJAARN O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749701 553852490 /nfs/dbraw/zinc/85/24/90/553852490.db2.gz LOGAJDGCHZWOPB-ZEQKJWHPSA-N 0 0 544.142 4.736 50 0 KJAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749703 553852550 /nfs/dbraw/zinc/85/25/50/553852550.db2.gz LOGAJDGCHZWOPB-OZXSUGGESA-N 0 0 544.142 4.736 50 0 KJAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749705 553852544 /nfs/dbraw/zinc/85/25/44/553852544.db2.gz LOGAJDGCHZWOPB-JYFHCDHNSA-N 0 0 544.142 4.736 50 0 KJAARN O=C(c1ccc2c(c1)NC(=O)[C@H](CSCc1c(F)cccc1Cl)N2)N1CCN(c2ccccn2)CC1 ZINC000029749720 553852494 /nfs/dbraw/zinc/85/24/94/553852494.db2.gz QUAAZDSNXFJFNT-QHCPKHFHSA-N 0 0 526.037 4.503 50 0 KJAARN O=C(c1ccc2c(c1)NC(=O)[C@@H](CSCc1c(F)cccc1Cl)N2)N1CCN(c2ccccn2)CC1 ZINC000029749723 553852474 /nfs/dbraw/zinc/85/24/74/553852474.db2.gz QUAAZDSNXFJFNT-HSZRJFAPSA-N 0 0 526.037 4.503 50 0 KJAARN COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccccc4F)ncc3S2(=O)=O)c1 ZINC000029749746 553852915 /nfs/dbraw/zinc/85/29/15/553852915.db2.gz VEDUSPKZBVYCQX-UHFFFAOYSA-N 0 0 536.610 4.731 50 0 KJAARN CCN(CCNC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2c1O)c1ccccc1 ZINC000029749774 553852795 /nfs/dbraw/zinc/85/27/95/553852795.db2.gz MSBOZMFHJVCLJF-UHFFFAOYSA-N 0 0 532.666 4.709 50 0 KJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)nnn1-c1ccc(Br)cc1 ZINC000029749792 553852788 /nfs/dbraw/zinc/85/27/88/553852788.db2.gz QSKKACVIVDUYGB-UHFFFAOYSA-N 0 0 520.210 4.872 50 0 KJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)nnn1-c1ccccc1Br ZINC000029749798 553852865 /nfs/dbraw/zinc/85/28/65/553852865.db2.gz UMTOSJHAEBNZFR-UHFFFAOYSA-N 0 0 520.210 4.872 50 0 KJAARN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)cc3)C2=O)c1 ZINC000029749922 553853182 /nfs/dbraw/zinc/85/31/82/553853182.db2.gz IZZMAGCBPDQBFC-TWKHWXDSSA-N 0 0 567.667 4.582 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5ccccc5F)CC4)cc3N(C)C2=O)cc1OC ZINC000029749949 553853166 /nfs/dbraw/zinc/85/31/66/553853166.db2.gz DOAYBUADDJHKCM-COEJQBHMSA-N 0 0 590.721 4.895 50 0 KJAARN CCOc1ccc(/C=C2/Sc3ccc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3N(C)C2=O)cc1OC ZINC000029749965 553853210 /nfs/dbraw/zinc/85/32/10/553853210.db2.gz MNBHTXSFZJOYJP-OCSSWDANSA-N 0 0 587.698 4.890 50 0 KJAARN Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000029749998 553853161 /nfs/dbraw/zinc/85/31/61/553853161.db2.gz QRYWNIXPBUAYMQ-UHFFFAOYSA-N 0 0 582.885 4.532 50 0 KJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc4c(cc3NCc3ccccc3)n(C)c(=O)n4C)cc2c1C ZINC000029750001 553853188 /nfs/dbraw/zinc/85/31/88/553853188.db2.gz DGMBQASWUGTDMC-UHFFFAOYSA-N 0 0 548.621 4.521 50 0 KJAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1Br ZINC000029750009 553853204 /nfs/dbraw/zinc/85/32/04/553853204.db2.gz XESRBDQFGKGDMM-VEILYXNESA-N 0 0 625.951 4.816 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccccc4)n3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000029752440 553853198 /nfs/dbraw/zinc/85/31/98/553853198.db2.gz NKEGIGZLNPJAFZ-AREMUKBSSA-N 0 0 554.676 4.532 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccccc4)n3C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000029752442 553853352 /nfs/dbraw/zinc/85/33/52/553853352.db2.gz NKEGIGZLNPJAFZ-SANMLTNESA-N 0 0 554.676 4.532 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(C)cc3)n2C)cc1 ZINC000029752444 553853443 /nfs/dbraw/zinc/85/34/43/553853443.db2.gz JMRHGOIUZCNILY-SSEXGKCCSA-N 0 0 689.864 4.563 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(C)cc3)n2C)cc1 ZINC000029752446 553853396 /nfs/dbraw/zinc/85/33/96/553853396.db2.gz JMRHGOIUZCNILY-PMERELPUSA-N 0 0 689.864 4.563 50 0 KJAARN COc1ccccc1Nc1ncc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c2ccccc21 ZINC000029752474 553853403 /nfs/dbraw/zinc/85/34/03/553853403.db2.gz BRWRINOIVLGINF-UHFFFAOYSA-N 0 0 542.636 4.971 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)CC2)cc1 ZINC000029752476 553853425 /nfs/dbraw/zinc/85/34/25/553853425.db2.gz ZHKVEFSJZCYWQK-UHFFFAOYSA-N 0 0 550.706 4.615 50 0 KJAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000029752517 553853762 /nfs/dbraw/zinc/85/37/62/553853762.db2.gz CXJDZHVDLUZBGQ-UHFFFAOYSA-N 0 0 571.895 4.997 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3ccc(Cl)cc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752547 553853707 /nfs/dbraw/zinc/85/37/07/553853707.db2.gz SAKMIGMKDYQFLC-VSGBNLITSA-N 0 0 532.040 4.543 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3ccc(Cl)cc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752549 553853711 /nfs/dbraw/zinc/85/37/11/553853711.db2.gz SAKMIGMKDYQFLC-WUFINQPMSA-N 0 0 532.040 4.543 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3ccc(Cl)cc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752551 553853715 /nfs/dbraw/zinc/85/37/15/553853715.db2.gz SAKMIGMKDYQFLC-IZLXSDGUSA-N 0 0 532.040 4.543 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3ccc(Cl)cc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752553 553853824 /nfs/dbraw/zinc/85/38/24/553853824.db2.gz SAKMIGMKDYQFLC-NSOVKSMOSA-N 0 0 532.040 4.543 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752569 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ZINC000029752591 553853956 /nfs/dbraw/zinc/85/39/56/553853956.db2.gz KBXLHIRYJFOOGR-LQJZCPKCSA-N 0 0 600.735 4.788 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCCN3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752592 553854001 /nfs/dbraw/zinc/85/40/01/553854001.db2.gz KBXLHIRYJFOOGR-CZNDPXEESA-N 0 0 600.735 4.788 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCCN3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000029752594 553854066 /nfs/dbraw/zinc/85/40/66/553854066.db2.gz KBXLHIRYJFOOGR-SAIUNTKASA-N 0 0 600.735 4.788 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752622 553853949 /nfs/dbraw/zinc/85/39/49/553853949.db2.gz BQPWEVVHUOZHFF-VSGBNLITSA-N 0 0 565.592 4.908 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752623 553853968 /nfs/dbraw/zinc/85/39/68/553853968.db2.gz BQPWEVVHUOZHFF-WUFINQPMSA-N 0 0 565.592 4.908 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752625 553853981 /nfs/dbraw/zinc/85/39/81/553853981.db2.gz BQPWEVVHUOZHFF-IZLXSDGUSA-N 0 0 565.592 4.908 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752627 553854062 /nfs/dbraw/zinc/85/40/62/553854062.db2.gz BQPWEVVHUOZHFF-NSOVKSMOSA-N 0 0 565.592 4.908 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cc(Cl)ccc3C)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752629 553854016 /nfs/dbraw/zinc/85/40/16/553854016.db2.gz AUDKPDJCBSZNTD-FQLXRVMXSA-N 0 0 546.067 4.851 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cc(Cl)ccc3C)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752630 553854037 /nfs/dbraw/zinc/85/40/37/553854037.db2.gz AUDKPDJCBSZNTD-URLMMPGGSA-N 0 0 546.067 4.851 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cc(Cl)ccc3C)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752632 553854013 /nfs/dbraw/zinc/85/40/13/553854013.db2.gz AUDKPDJCBSZNTD-WDYNHAJCSA-N 0 0 546.067 4.851 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cc(Cl)ccc3C)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752633 553853978 /nfs/dbraw/zinc/85/39/78/553853978.db2.gz AUDKPDJCBSZNTD-VMPREFPWSA-N 0 0 546.067 4.851 50 0 KJAARN COc1ccc(Br)cc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000029752644 553853959 /nfs/dbraw/zinc/85/39/59/553853959.db2.gz ROTPGNPWNMKDTK-IZZNHLLZSA-N 0 0 551.437 4.628 50 0 KJAARN COc1ccc(Br)cc1CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000029752646 553853952 /nfs/dbraw/zinc/85/39/52/553853952.db2.gz ROTPGNPWNMKDTK-CLJLJLNGSA-N 0 0 551.437 4.628 50 0 KJAARN COc1ccc(Br)cc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000029752648 553854444 /nfs/dbraw/zinc/85/44/44/553854444.db2.gz ROTPGNPWNMKDTK-UIOOFZCWSA-N 0 0 551.437 4.628 50 0 KJAARN COc1ccc(Br)cc1CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000029752650 553854371 /nfs/dbraw/zinc/85/43/71/553854371.db2.gz ROTPGNPWNMKDTK-FTJBHMTQSA-N 0 0 551.437 4.628 50 0 KJAARN Cc1nnc(SCC(=O)NCc2ccc3c(c2)SC(=O)CO3)n1C(c1ccccc1)c1ccccc1 ZINC000030947821 553860723 /nfs/dbraw/zinc/86/07/23/553860723.db2.gz CCULMYNOOUEVGU-UHFFFAOYSA-N 0 0 516.648 4.644 50 0 KJAARN O=c1/c(=C/C(Br)=C/c2ccccc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000031934179 553862087 /nfs/dbraw/zinc/86/20/87/553862087.db2.gz AUZKMLZHOPKJQJ-AIRXBPKASA-N 0 0 500.421 4.753 50 0 KJAARN O=c1/c(=C/C(Br)=C/c2ccccc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000031934181 553861953 /nfs/dbraw/zinc/86/19/53/553861953.db2.gz AUZKMLZHOPKJQJ-VRNLSRCZSA-N 0 0 500.421 4.753 50 0 KJAARN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Br)cc1 ZINC000032111879 553863605 /nfs/dbraw/zinc/86/36/05/553863605.db2.gz MFNGSSSKTIOVSH-UHFFFAOYSA-N 0 0 501.811 4.704 50 0 KJAARN COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000032116476 553865011 /nfs/dbraw/zinc/86/50/11/553865011.db2.gz OAZLQIFLHSWGHW-HAHDFKILSA-N 0 0 506.555 4.561 50 0 KJAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@@H](C)NC(=O)c1ccccc1Br ZINC000032579631 553869274 /nfs/dbraw/zinc/86/92/74/553869274.db2.gz IWHLBFMSVLCLSJ-MRXNPFEDSA-N 0 0 516.465 4.899 50 0 KJAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@H](C)NC(=O)c1ccccc1Br ZINC000032579632 553869321 /nfs/dbraw/zinc/86/93/21/553869321.db2.gz IWHLBFMSVLCLSJ-INIZCTEOSA-N 0 0 516.465 4.899 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000032617787 553870170 /nfs/dbraw/zinc/87/01/70/553870170.db2.gz VUHJCWNONMNWHV-XOYGFPHKSA-N 0 0 513.034 4.888 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000032617789 553870279 /nfs/dbraw/zinc/87/02/79/553870279.db2.gz VUHJCWNONMNWHV-YJADQXIJSA-N 0 0 513.034 4.888 50 0 KJAARN COc1cc(CN(C[C@@H]2CCCO2)c2ncnc3c2cnn3-c2cc(C)ccc2C)cc(OC)c1OC ZINC000032620492 553870243 /nfs/dbraw/zinc/87/02/43/553870243.db2.gz MJGAUSZGFCWSRD-NRFANRHFSA-N 0 0 503.603 4.644 50 0 KJAARN COc1cc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3-c2cc(C)ccc2C)cc(OC)c1OC ZINC000032620493 553870178 /nfs/dbraw/zinc/87/01/78/553870178.db2.gz MJGAUSZGFCWSRD-OAQYLSRUSA-N 0 0 503.603 4.644 50 0 KJAARN CCCOc1ccc(C(O)=C2[C@@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000032624074 553870230 /nfs/dbraw/zinc/87/02/30/553870230.db2.gz YFKDPQBDBKWUKB-IMSXRSKXSA-N 0 0 506.452 4.978 50 0 KJAARN CCCOc1ccc(C(O)=C2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000032624078 553870350 /nfs/dbraw/zinc/87/03/50/553870350.db2.gz YFKDPQBDBKWUKB-HFMPRLQTSA-N 0 0 506.452 4.978 50 0 KJAARN CCOc1ccc(/N=c2\scc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)n2CCCOC)cc1 ZINC000032624422 553870314 /nfs/dbraw/zinc/87/03/14/553870314.db2.gz QUYWCZHQGHCOHV-QPLCGJKRSA-N 0 0 503.690 4.915 50 0 KJAARN O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000032693705 1066482243 /nfs/dbraw/zinc/48/22/43/1066482243.db2.gz PEWMLEYZHQTPLS-KKFJTVDOSA-N 0 0 506.908 4.907 50 0 KJAARN CC(C)CCn1c(SCC(=O)OCc2cc(=O)n3c4ccccc4sc3n2)nc2ccccc2c1=O ZINC000032721597 553873855 /nfs/dbraw/zinc/87/38/55/553873855.db2.gz WEGQRCRWYNRPPM-UHFFFAOYSA-N 0 0 520.636 4.501 50 0 KJAARN CCCCCn1nc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c2ccccc2c1=O ZINC000032724099 553873830 /nfs/dbraw/zinc/87/38/30/553873830.db2.gz JXPZAZDYGGTUOF-UHFFFAOYSA-N 0 0 512.538 4.784 50 0 KJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000032727263 553873859 /nfs/dbraw/zinc/87/38/59/553873859.db2.gz RDISZOOPFFMTDS-UHFFFAOYSA-N 0 0 500.068 4.974 50 0 KJAARN Cc1cc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1Br ZINC000032731749 553874202 /nfs/dbraw/zinc/87/42/02/553874202.db2.gz YSHWCSQXGBTTJQ-UHFFFAOYSA-N 0 0 500.315 4.570 50 0 KJAARN Cc1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Br)c1 ZINC000032731757 553874176 /nfs/dbraw/zinc/87/41/76/553874176.db2.gz BDWLVDBXFBBKQM-UHFFFAOYSA-N 0 0 500.315 4.570 50 0 KJAARN CC(C)(C)c1cc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n(-c2ccccc2)n1 ZINC000032731768 553874266 /nfs/dbraw/zinc/87/42/66/553874266.db2.gz HYJRGMGGMIPWPB-UHFFFAOYSA-N 0 0 529.563 4.982 50 0 KJAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)cc1 ZINC000032735835 553874219 /nfs/dbraw/zinc/87/42/19/553874219.db2.gz OCQHRSAUXSWFHT-NRFANRHFSA-N 0 0 517.026 4.564 50 0 KJAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)cc1 ZINC000032735836 553874194 /nfs/dbraw/zinc/87/41/94/553874194.db2.gz OCQHRSAUXSWFHT-OAQYLSRUSA-N 0 0 517.026 4.564 50 0 KJAARN O=C(c1ccc2ccccc2c1O)N1CCN(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000032738034 553874517 /nfs/dbraw/zinc/87/45/17/553874517.db2.gz LDAWRAXAXNWJPL-UHFFFAOYSA-N 0 0 502.621 4.530 50 0 KJAARN CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1[C@@H](C)CC)CCCCC3 ZINC000032745138 553874526 /nfs/dbraw/zinc/87/45/26/553874526.db2.gz PWQDIHOOIHWTJU-WMZOPIPTSA-N 0 0 505.706 4.734 50 0 KJAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1[C@@H](C)CC)CCCCC3 ZINC000032745139 553874579 /nfs/dbraw/zinc/87/45/79/553874579.db2.gz PWQDIHOOIHWTJU-FUHWJXTLSA-N 0 0 505.706 4.734 50 0 KJAARN CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1[C@H](C)CC)CCCCC3 ZINC000032745140 553874603 /nfs/dbraw/zinc/87/46/03/553874603.db2.gz PWQDIHOOIHWTJU-AEFFLSMTSA-N 0 0 505.706 4.734 50 0 KJAARN CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1[C@H](C)CC)CCCCC3 ZINC000032745141 553874670 /nfs/dbraw/zinc/87/46/70/553874670.db2.gz PWQDIHOOIHWTJU-SJLPKXTDSA-N 0 0 505.706 4.734 50 0 KJAARN CCOc1ccc([C@@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2C)c2c[nH]c3ccccc32)cc1OC ZINC000032796183 553875046 /nfs/dbraw/zinc/87/50/46/553875046.db2.gz LKVHKDWSGIPRCW-ZEQKJWHPSA-N 0 0 514.626 4.931 50 0 KJAARN CCOc1ccc([C@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2C)c2c[nH]c3ccccc32)cc1OC ZINC000032796184 553875131 /nfs/dbraw/zinc/87/51/31/553875131.db2.gz LKVHKDWSGIPRCW-JYFHCDHNSA-N 0 0 514.626 4.931 50 0 KJAARN CCOc1ccc([C@@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2C)c2c[nH]c3ccccc32)cc1OC ZINC000032796185 553875062 /nfs/dbraw/zinc/87/50/62/553875062.db2.gz LKVHKDWSGIPRCW-BVAGGSTKSA-N 0 0 514.626 4.931 50 0 KJAARN CCOc1ccc([C@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2C)c2c[nH]c3ccccc32)cc1OC ZINC000032796186 553875148 /nfs/dbraw/zinc/87/51/48/553875148.db2.gz LKVHKDWSGIPRCW-OZXSUGGESA-N 0 0 514.626 4.931 50 0 KJAARN CCOc1ccc([C@@H](CNC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000032796187 553875112 /nfs/dbraw/zinc/87/51/12/553875112.db2.gz POQUHUDEROFIPQ-ZEQKJWHPSA-N 0 0 514.626 4.931 50 0 KJAARN CCOc1ccc([C@H](CNC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000032796188 553875140 /nfs/dbraw/zinc/87/51/40/553875140.db2.gz POQUHUDEROFIPQ-JYFHCDHNSA-N 0 0 514.626 4.931 50 0 KJAARN CCOc1ccc([C@@H](CNC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000032796189 553875053 /nfs/dbraw/zinc/87/50/53/553875053.db2.gz POQUHUDEROFIPQ-BVAGGSTKSA-N 0 0 514.626 4.931 50 0 KJAARN CCOc1ccc([C@H](CNC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)c2c[nH]c3ccccc32)cc1OC ZINC000032796190 553875126 /nfs/dbraw/zinc/87/51/26/553875126.db2.gz POQUHUDEROFIPQ-OZXSUGGESA-N 0 0 514.626 4.931 50 0 KJAARN CCOc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)cc1OCC ZINC000032853576 553875551 /nfs/dbraw/zinc/87/55/51/553875551.db2.gz MVUAOUOSQJQULH-UHFFFAOYSA-N 0 0 518.639 4.605 50 0 KJAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nccn3C(F)F)n2-c2ccccc2)c1 ZINC000032853898 553875607 /nfs/dbraw/zinc/87/56/07/553875607.db2.gz RLANLIXZZJYLMP-UHFFFAOYSA-N 0 0 518.615 4.849 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccco3)nc3ccccc32)NC(=O)N[C@@H]1c1cccs1 ZINC000032910014 553875668 /nfs/dbraw/zinc/87/56/68/553875668.db2.gz JKEXXXTVGFCIOC-HSZRJFAPSA-N 0 0 503.536 4.584 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccco3)nc3ccccc32)NC(=O)N[C@H]1c1cccs1 ZINC000032910015 553875634 /nfs/dbraw/zinc/87/56/34/553875634.db2.gz JKEXXXTVGFCIOC-QHCPKHFHSA-N 0 0 503.536 4.584 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCc3cccc(Br)c3)cc2)cc1 ZINC000032910085 553875540 /nfs/dbraw/zinc/87/55/40/553875540.db2.gz VVSKOIOWAKPHPW-UHFFFAOYSA-N 0 0 504.402 4.705 50 0 KJAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 ZINC000032910648 553875903 /nfs/dbraw/zinc/87/59/03/553875903.db2.gz ROAWSRGUDJIBIQ-UHFFFAOYSA-N 0 0 518.566 4.881 50 0 KJAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)C[C@@H](NC(C)=O)c1ccccc1Cl ZINC000032922413 553876440 /nfs/dbraw/zinc/87/64/40/553876440.db2.gz NAZWMSWHKLSCJT-LJQANCHMSA-N 0 0 509.024 4.526 50 0 KJAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1Cl ZINC000032922415 553876514 /nfs/dbraw/zinc/87/65/14/553876514.db2.gz NAZWMSWHKLSCJT-IBGZPJMESA-N 0 0 509.024 4.526 50 0 KJAARN CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1cccc(Br)c1 ZINC000032936424 553876850 /nfs/dbraw/zinc/87/68/50/553876850.db2.gz ZLCPQDCLJNGREP-GOSISDBHSA-N 0 0 507.768 4.754 50 0 KJAARN CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1cccc(Br)c1 ZINC000032936425 553876860 /nfs/dbraw/zinc/87/68/60/553876860.db2.gz ZLCPQDCLJNGREP-SFHVURJKSA-N 0 0 507.768 4.754 50 0 KJAARN O=C(OC[C@@H]1CCCO1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000032943535 553877068 /nfs/dbraw/zinc/87/70/68/553877068.db2.gz NRYMDTCODUORJF-FQEVSTJZSA-N 0 0 511.983 4.669 50 0 KJAARN O=C(OC[C@H]1CCCO1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000032943536 553877039 /nfs/dbraw/zinc/87/70/39/553877039.db2.gz NRYMDTCODUORJF-HXUWFJFHSA-N 0 0 511.983 4.669 50 0 KJAARN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C=Cc3ccc(C)cc3)C2)c1 ZINC000032944059 553877052 /nfs/dbraw/zinc/87/70/52/553877052.db2.gz MABBCHQXRQQJBK-YAOQVBECSA-N 0 0 507.612 4.704 50 0 KJAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C=Cc3ccc(C)cc3)C2)c1 ZINC000032944060 553877017 /nfs/dbraw/zinc/87/70/17/553877017.db2.gz MABBCHQXRQQJBK-ZVQQDINOSA-N 0 0 507.612 4.704 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000032944075 553877043 /nfs/dbraw/zinc/87/70/43/553877043.db2.gz QINNFEOMSLDUBR-VSRDTVRMSA-N 0 0 501.555 4.779 50 0 KJAARN 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CC(C)CNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(F)cc1)n(Cc1ccccc1)c2=O ZINC000032944303 553878311 /nfs/dbraw/zinc/87/83/11/553878311.db2.gz LJPRNHZIIKGEIF-UHFFFAOYSA-N 0 0 503.599 4.945 50 0 KJAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2Cc2ccccc2)cc1 ZINC000032944304 553878288 /nfs/dbraw/zinc/87/82/88/553878288.db2.gz ALLPCJQYXZNADE-UHFFFAOYSA-N 0 0 515.635 4.814 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(F)cc1)n(CCc1ccccc1)c2=O ZINC000032944310 553878325 /nfs/dbraw/zinc/87/83/25/553878325.db2.gz FANOAZAYRUKASK-UHFFFAOYSA-N 0 0 503.599 4.893 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1)n(CCc1ccccc1)c2=O ZINC000032944313 553878282 /nfs/dbraw/zinc/87/82/82/553878282.db2.gz CXNBSYMNOYTRQN-UHFFFAOYSA-N 0 0 515.635 4.763 50 0 biogenic KJAARN O=C(CSc1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000032944361 553878321 /nfs/dbraw/zinc/87/83/21/553878321.db2.gz KRZWPGRPJJOPJL-NRFANRHFSA-N 0 0 526.058 4.876 50 0 KJAARN O=C(CSc1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000032944362 553878304 /nfs/dbraw/zinc/87/83/04/553878304.db2.gz KRZWPGRPJJOPJL-OAQYLSRUSA-N 0 0 526.058 4.876 50 0 KJAARN CC(C)CNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(Cl)cc1)n(C[C@@H]1CCCO1)c2=O ZINC000032944363 553878265 /nfs/dbraw/zinc/87/82/65/553878265.db2.gz WSBSVHWBOFKPGU-FQEVSTJZSA-N 0 0 514.047 4.590 50 0 KJAARN CC(C)CNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(Cl)cc1)n(C[C@H]1CCCO1)c2=O ZINC000032944364 553878301 /nfs/dbraw/zinc/87/83/01/553878301.db2.gz WSBSVHWBOFKPGU-HXUWFJFHSA-N 0 0 514.047 4.590 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1)n(-c1ccc(OC)cc1)c2=O ZINC000032944384 553878501 /nfs/dbraw/zinc/87/85/01/553878501.db2.gz KUOMEFRAYKQNOO-UHFFFAOYSA-N 0 0 517.607 4.518 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NC(C)C)cc3nc2SCC(=O)c2ccc(F)cc2)cc1 ZINC000032944391 553878511 /nfs/dbraw/zinc/87/85/11/553878511.db2.gz MFCWOJCFXNAUKP-UHFFFAOYSA-N 0 0 505.571 4.647 50 0 KJAARN COc1ccc(-n2c(SCC(=O)c3ccc(C)cc3)nc3cc(C(=O)NC(C)C)ccc3c2=O)cc1 ZINC000032944392 553878491 /nfs/dbraw/zinc/87/84/91/553878491.db2.gz CZQZFGSPAGWURN-UHFFFAOYSA-N 0 0 501.608 4.816 50 0 KJAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000032944393 553878515 /nfs/dbraw/zinc/87/85/15/553878515.db2.gz DBKNOAOLBKDUAO-UHFFFAOYSA-N 0 0 517.607 4.516 50 0 KJAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nc3cc(C(=O)NCC(C)C)ccc3c2=O)cc1 ZINC000032944400 553878508 /nfs/dbraw/zinc/87/85/08/553878508.db2.gz JKKBADCMHDZCDC-UHFFFAOYSA-N 0 0 501.608 4.755 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCC(C)C)cc3nc2SCC(=O)c2ccc(F)cc2)cc1 ZINC000032944401 553878529 /nfs/dbraw/zinc/87/85/29/553878529.db2.gz VXTCDJUDFJBRAQ-UHFFFAOYSA-N 0 0 519.598 4.894 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(Br)cc1)n(CC(C)C)c2=O ZINC000032944410 553878816 /nfs/dbraw/zinc/87/88/16/553878816.db2.gz QZFPDIQAWMHQLX-UHFFFAOYSA-N 0 0 516.461 4.930 50 0 KJAARN O=C(CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1Cc1ccccc1)c1ccccc1 ZINC000032944494 553878744 /nfs/dbraw/zinc/87/87/44/553878744.db2.gz OQNFNEBMZZFVTH-UHFFFAOYSA-N 0 0 509.587 4.943 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(F)cc1)n(-c1cccc(OC)c1)c2=O ZINC000032944498 553878770 /nfs/dbraw/zinc/87/87/70/553878770.db2.gz DHBQHHHIOXRQCB-UHFFFAOYSA-N 0 0 505.571 4.648 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1)n(-c1cccc(F)c1)c2=O ZINC000032944505 553878796 /nfs/dbraw/zinc/87/87/96/553878796.db2.gz YIWFOXQCJUXKBP-UHFFFAOYSA-N 0 0 505.571 4.648 50 0 KJAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2-c2cccc(F)c2)cc1 ZINC000032944521 553878975 /nfs/dbraw/zinc/87/89/75/553878975.db2.gz JPBPDDJBYWJEEO-UHFFFAOYSA-N 0 0 505.571 4.647 50 0 KJAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2-c2cccc(F)c2)cc1 ZINC000032944535 553878947 /nfs/dbraw/zinc/87/89/47/553878947.db2.gz DLRFQMPUYLKYHX-UHFFFAOYSA-N 0 0 519.598 4.894 50 0 KJAARN COCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2nc1SCC(=O)c1ccc(C)cc1C ZINC000032944540 553879008 /nfs/dbraw/zinc/87/90/08/553879008.db2.gz IQHHTFATLPMYJQ-UHFFFAOYSA-N 0 0 507.656 4.697 50 0 KJAARN COCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2nc1SCC(=O)c1cc(C)ccc1C ZINC000032944541 553879017 /nfs/dbraw/zinc/87/90/17/553879017.db2.gz JFLZPSZEOQIADZ-UHFFFAOYSA-N 0 0 507.656 4.697 50 0 KJAARN COCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2nc1SCC(=O)c1cccc(Cl)c1 ZINC000032944542 553878996 /nfs/dbraw/zinc/87/89/96/553878996.db2.gz QDEFHSBZIRCGLS-UHFFFAOYSA-N 0 0 514.047 4.734 50 0 KJAARN COCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2nc1SCC(=O)c1c[nH]c2ccccc21 ZINC000032944543 553878957 /nfs/dbraw/zinc/87/89/57/553878957.db2.gz KRGFIKRNCBQJCJ-UHFFFAOYSA-N 0 0 518.639 4.562 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1)n(Cc1ccc(C)cc1)c2=O ZINC000032944548 553878982 /nfs/dbraw/zinc/87/89/82/553878982.db2.gz VDQMOZJUIMLRIT-UHFFFAOYSA-N 0 0 515.635 4.877 50 0 KJAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000032944557 553879311 /nfs/dbraw/zinc/87/93/11/553879311.db2.gz IBPSRCKOIMZLGL-UHFFFAOYSA-N 0 0 515.635 4.875 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)c(OC)c1)n(CCC(C)C)c2=O ZINC000032944578 553879274 /nfs/dbraw/zinc/87/92/74/553879274.db2.gz LTHFMTCVHTWNAI-UHFFFAOYSA-N 0 0 511.644 4.575 50 0 KJAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2CCC(C)C)cc1OC ZINC000032944589 553879305 /nfs/dbraw/zinc/87/93/05/553879305.db2.gz QPGZVTWDKSWSTC-UHFFFAOYSA-N 0 0 511.644 4.573 50 0 KJAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NCc4ccco4)ccc3c(=O)n2CCC(C)C)cc1 ZINC000032944622 553879454 /nfs/dbraw/zinc/87/94/54/553879454.db2.gz CTLFUCQWECSXSZ-UHFFFAOYSA-N 0 0 519.623 4.949 50 0 KJAARN Cc1ccc(C(=O)CSc2nc3cc(C(=O)NC[C@@H]4CCCO4)ccc3c(=O)n2CCC(C)C)cc1 ZINC000032944627 553879439 /nfs/dbraw/zinc/87/94/39/553879439.db2.gz LABAFMUWNJWYAZ-QFIPXVFZSA-N 0 0 507.656 4.635 50 0 KJAARN Cc1ccc(C(=O)CSc2nc3cc(C(=O)NC[C@H]4CCCO4)ccc3c(=O)n2CCC(C)C)cc1 ZINC000032944628 553879504 /nfs/dbraw/zinc/87/95/04/553879504.db2.gz LABAFMUWNJWYAZ-JOCHJYFZSA-N 0 0 507.656 4.635 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1)n(-c1ccc(F)cc1)c2=O ZINC000032944638 553879530 /nfs/dbraw/zinc/87/95/30/553879530.db2.gz KHAIAKGYWFQIHP-UHFFFAOYSA-N 0 0 505.571 4.648 50 0 KJAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000032944655 553879795 /nfs/dbraw/zinc/87/97/95/553879795.db2.gz WNNXHYJNOICAQH-UHFFFAOYSA-N 0 0 505.571 4.647 50 0 KJAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000032944666 553879814 /nfs/dbraw/zinc/87/98/14/553879814.db2.gz NBBYDWBBEZYLFZ-UHFFFAOYSA-N 0 0 519.598 4.894 50 0 KJAARN COC(=O)c1cc(Cl)ccc1NC(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 ZINC000032950766 553879965 /nfs/dbraw/zinc/87/99/65/553879965.db2.gz ZYJMCWXIBLDNOD-UHFFFAOYSA-N 0 0 500.313 4.935 50 0 KJAARN CCOc1ccc(-n2c3nc(SCC(=O)NCc4ccc(C)cc4)n(C)c(=O)c3sc2=S)cc1 ZINC000032950965 553879930 /nfs/dbraw/zinc/87/99/30/553879930.db2.gz VWWZSWNFHHPRBR-UHFFFAOYSA-N 0 0 512.682 4.631 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)n1C ZINC000032951010 553879909 /nfs/dbraw/zinc/87/99/09/553879909.db2.gz AKGRMCDYNGNFQI-UHFFFAOYSA-N 0 0 505.046 4.908 50 0 KJAARN Cc1ccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccc(Cl)cc3)c(=O)n2C)cc1 ZINC000032951039 553880219 /nfs/dbraw/zinc/88/02/19/553880219.db2.gz VJCQEYFWRSOHTC-UHFFFAOYSA-N 0 0 503.074 4.886 50 0 KJAARN Cc1ccc(-n2c3nc(SCC(=O)NCc4ccccc4Cl)n(C)c(=O)c3sc2=S)cc1 ZINC000032951048 553880293 /nfs/dbraw/zinc/88/02/93/553880293.db2.gz HGEVVHSLWTTYGY-UHFFFAOYSA-N 0 0 503.074 4.886 50 0 KJAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c2)no1 ZINC000032954011 553881240 /nfs/dbraw/zinc/88/12/40/553881240.db2.gz BIKSYJWSUTXBKA-UHFFFAOYSA-N 0 0 522.549 4.666 50 0 KJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000032958514 553881472 /nfs/dbraw/zinc/88/14/72/553881472.db2.gz HHRDWEFLSLDZSG-UHFFFAOYSA-N 0 0 504.435 4.710 50 0 KJAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc1)c2=O ZINC000032959293 553881969 /nfs/dbraw/zinc/88/19/69/553881969.db2.gz ATJOQUXRKFCOJW-UHFFFAOYSA-N 0 0 513.619 4.556 50 0 KJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000032960959 553882313 /nfs/dbraw/zinc/88/23/13/553882313.db2.gz DPZRNCHQHJDLKR-UHFFFAOYSA-N 0 0 513.704 4.571 50 0 KJAARN C[C@@H](CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000032961390 553882283 /nfs/dbraw/zinc/88/22/83/553882283.db2.gz BCCYYTICRNLSIH-JOCHJYFZSA-N 0 0 516.667 4.549 50 0 KJAARN C[C@H](CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000032961391 553882361 /nfs/dbraw/zinc/88/23/61/553882361.db2.gz BCCYYTICRNLSIH-QFIPXVFZSA-N 0 0 516.667 4.549 50 0 KJAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)CC1 ZINC000032963898 553882446 /nfs/dbraw/zinc/88/24/46/553882446.db2.gz UJMSRLDUMIFPLQ-UHFFFAOYSA-N 0 0 526.102 4.551 50 0 KJAARN COc1cccc(NC(=O)CN(C)C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c1 ZINC000032966474 553882429 /nfs/dbraw/zinc/88/24/29/553882429.db2.gz RKFZVXVMXGZYIB-JQIJEIRASA-N 0 0 526.593 4.675 50 0 KJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032966555 553882406 /nfs/dbraw/zinc/88/24/06/553882406.db2.gz WTESAGMOVONOBN-UHFFFAOYSA-N 0 0 516.347 4.962 50 0 KJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000032966563 553882408 /nfs/dbraw/zinc/88/24/08/553882408.db2.gz ILBYEFLHKDRNDQ-UHFFFAOYSA-N 0 0 513.969 4.784 50 0 KJAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000032967237 553882811 /nfs/dbraw/zinc/88/28/11/553882811.db2.gz OQIFAXDWKBSQOJ-HSZRJFAPSA-N 0 0 520.026 4.854 50 0 KJAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000032967239 553882801 /nfs/dbraw/zinc/88/28/01/553882801.db2.gz OQIFAXDWKBSQOJ-QHCPKHFHSA-N 0 0 520.026 4.854 50 0 KJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000032974568 553883482 /nfs/dbraw/zinc/88/34/82/553883482.db2.gz CGYKOIRFTSSENO-UHFFFAOYSA-N 0 0 504.992 4.581 50 0 KJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cccc(Cl)c2C)c1C ZINC000032974574 553883422 /nfs/dbraw/zinc/88/34/22/553883422.db2.gz WYOXFBLJKDKDAJ-UHFFFAOYSA-N 0 0 519.019 4.890 50 0 KJAARN COc1ccc(-c2noc(-c3cn(Cc4ccc(NC(=O)c5ccccc5OC)cc4)cn3)n2)cc1OC ZINC000032974735 553883693 /nfs/dbraw/zinc/88/36/93/553883693.db2.gz QWZLNNWZDRAVQA-UHFFFAOYSA-N 0 0 511.538 4.927 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccc(OC)c(OC)c5)no4)c3)cc2)c1 ZINC000032974738 553883851 /nfs/dbraw/zinc/88/38/51/553883851.db2.gz TVJJUMLACOFUGG-UHFFFAOYSA-N 0 0 511.538 4.927 50 0 KJAARN COc1ccc(C(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccc(OC)c(OC)c5)no4)c3)cc2)cc1 ZINC000032974740 553883671 /nfs/dbraw/zinc/88/36/71/553883671.db2.gz GLWDTAGTKLPFPP-UHFFFAOYSA-N 0 0 511.538 4.927 50 0 KJAARN COc1ccc(-c2noc(-c3cn(Cc4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)cn3)n2)cc1 ZINC000032974753 553883675 /nfs/dbraw/zinc/88/36/75/553883675.db2.gz FCFRIUKKJKDVCM-UHFFFAOYSA-N 0 0 501.568 4.766 50 0 KJAARN COc1ccc(-c2noc(-c3cn(Cc4ccc(NS(=O)(=O)c5ccc(F)cc5)cc4)cn3)n2)cc1 ZINC000032974754 553883833 /nfs/dbraw/zinc/88/38/33/553883833.db2.gz SXAMUHTYAYYZNK-UHFFFAOYSA-N 0 0 505.531 4.597 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5cccc(C)c5)no4)c3)cc2)cc1 ZINC000032974775 553883637 /nfs/dbraw/zinc/88/36/37/553883637.db2.gz SETWWBPLFBQHJY-UHFFFAOYSA-N 0 0 501.568 4.766 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)cc1 ZINC000032974787 553884007 /nfs/dbraw/zinc/88/40/07/553884007.db2.gz WAVVAYTXCOCDSQ-UHFFFAOYSA-N 0 0 505.531 4.597 50 0 KJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1 ZINC000032975369 553884027 /nfs/dbraw/zinc/88/40/27/553884027.db2.gz FAZSYAAIBNOHJX-HXUWFJFHSA-N 0 0 513.063 4.836 50 0 KJAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1 ZINC000032975372 553883982 /nfs/dbraw/zinc/88/39/82/553883982.db2.gz FAZSYAAIBNOHJX-FQEVSTJZSA-N 0 0 513.063 4.836 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1 ZINC000032975385 553883937 /nfs/dbraw/zinc/88/39/37/553883937.db2.gz IXOQHKINCUAQPI-HXUWFJFHSA-N 0 0 513.063 4.836 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1 ZINC000032975388 553884002 /nfs/dbraw/zinc/88/40/02/553884002.db2.gz IXOQHKINCUAQPI-FQEVSTJZSA-N 0 0 513.063 4.836 50 0 KJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1Cl ZINC000032975390 553883932 /nfs/dbraw/zinc/88/39/32/553883932.db2.gz SHUCKFXTZJVAOQ-HXUWFJFHSA-N 0 0 513.063 4.836 50 0 KJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1Cl ZINC000032975393 553883923 /nfs/dbraw/zinc/88/39/23/553883923.db2.gz SHUCKFXTZJVAOQ-FQEVSTJZSA-N 0 0 513.063 4.836 50 0 KJAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975416 553883942 /nfs/dbraw/zinc/88/39/42/553883942.db2.gz LOYALFLIASOMDT-XMMPIXPASA-N 0 0 510.704 4.633 50 0 KJAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975419 553883998 /nfs/dbraw/zinc/88/39/98/553883998.db2.gz LOYALFLIASOMDT-DEOSSOPVSA-N 0 0 510.704 4.633 50 0 KJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975422 553883945 /nfs/dbraw/zinc/88/39/45/553883945.db2.gz UQOBNMLFSIVRQJ-HXUWFJFHSA-N 0 0 513.063 4.918 50 0 KJAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975425 553883969 /nfs/dbraw/zinc/88/39/69/553883969.db2.gz UQOBNMLFSIVRQJ-FQEVSTJZSA-N 0 0 513.063 4.918 50 0 KJAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975427 553883921 /nfs/dbraw/zinc/88/39/21/553883921.db2.gz YYPLPPAHGQHAHQ-HXUWFJFHSA-N 0 0 513.063 4.918 50 0 KJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975429 553883974 /nfs/dbraw/zinc/88/39/74/553883974.db2.gz YYPLPPAHGQHAHQ-FQEVSTJZSA-N 0 0 513.063 4.918 50 0 KJAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975431 553884032 /nfs/dbraw/zinc/88/40/32/553884032.db2.gz KEYWKKMBFCTBEH-JOCHJYFZSA-N 0 0 527.090 4.596 50 0 KJAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975433 553883925 /nfs/dbraw/zinc/88/39/25/553883925.db2.gz KEYWKKMBFCTBEH-QFIPXVFZSA-N 0 0 527.090 4.596 50 0 KJAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975435 553883992 /nfs/dbraw/zinc/88/39/92/553883992.db2.gz MSGSPCMYKQKMDV-JOCHJYFZSA-N 0 0 527.090 4.596 50 0 KJAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975437 553884265 /nfs/dbraw/zinc/88/42/65/553884265.db2.gz MSGSPCMYKQKMDV-QFIPXVFZSA-N 0 0 527.090 4.596 50 0 KJAARN O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975439 553884260 /nfs/dbraw/zinc/88/42/60/553884260.db2.gz XMKDDEHENRAXSN-HSZRJFAPSA-N 0 0 512.720 4.855 50 0 KJAARN O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000032975441 553884176 /nfs/dbraw/zinc/88/41/76/553884176.db2.gz XMKDDEHENRAXSN-QHCPKHFHSA-N 0 0 512.720 4.855 50 0 KJAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c1 ZINC000032975457 553884211 /nfs/dbraw/zinc/88/42/11/553884211.db2.gz RFFLMSNUGOVOGO-HSZRJFAPSA-N 0 0 506.672 4.881 50 0 KJAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c1 ZINC000032975459 553884244 /nfs/dbraw/zinc/88/42/44/553884244.db2.gz RFFLMSNUGOVOGO-QHCPKHFHSA-N 0 0 506.672 4.881 50 0 KJAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c1 ZINC000032975462 553884247 /nfs/dbraw/zinc/88/42/47/553884247.db2.gz YVFXKARRNLTQLW-HSZRJFAPSA-N 0 0 506.672 4.881 50 0 KJAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c1 ZINC000032975463 553884251 /nfs/dbraw/zinc/88/42/51/553884251.db2.gz YVFXKARRNLTQLW-QHCPKHFHSA-N 0 0 506.672 4.881 50 0 KJAARN CCc1cccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c1 ZINC000032975481 553884149 /nfs/dbraw/zinc/88/41/49/553884149.db2.gz IZJQWYGRTZYOBC-HSZRJFAPSA-N 0 0 506.672 4.827 50 0 KJAARN CCc1cccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c1 ZINC000032975484 553884165 /nfs/dbraw/zinc/88/41/65/553884165.db2.gz IZJQWYGRTZYOBC-QHCPKHFHSA-N 0 0 506.672 4.827 50 0 KJAARN Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)N[C@@H](C)CCc4ccccc4)C3)nc3cccnc32)cc1 ZINC000032977981 553884464 /nfs/dbraw/zinc/88/44/64/553884464.db2.gz COZDGYSHOSTHEF-JYFHCDHNSA-N 0 0 509.654 4.502 50 0 KJAARN Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)N[C@H](C)CCc4ccccc4)C3)nc3cccnc32)cc1 ZINC000032977984 553884420 /nfs/dbraw/zinc/88/44/20/553884420.db2.gz COZDGYSHOSTHEF-ZEQKJWHPSA-N 0 0 509.654 4.502 50 0 KJAARN Cc1ccc(Cn2c(=O)c(N3CCC[C@H](C(=O)N[C@@H](C)CCc4ccccc4)C3)nc3cccnc32)cc1 ZINC000032977986 553884474 /nfs/dbraw/zinc/88/44/74/553884474.db2.gz COZDGYSHOSTHEF-OZXSUGGESA-N 0 0 509.654 4.502 50 0 KJAARN Cc1ccc(Cn2c(=O)c(N3CCC[C@H](C(=O)N[C@H](C)CCc4ccccc4)C3)nc3cccnc32)cc1 ZINC000032977988 553884433 /nfs/dbraw/zinc/88/44/33/553884433.db2.gz COZDGYSHOSTHEF-BVAGGSTKSA-N 0 0 509.654 4.502 50 0 KJAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000032978104 553884415 /nfs/dbraw/zinc/88/44/15/553884415.db2.gz QBZLXVKKVUJMEZ-UHFFFAOYSA-N 0 0 503.990 4.879 50 0 KJAARN COc1cc(-c2nc(CSc3nc4ccccc4c(=O)n3C[C@@H]3CCCO3)c(C)o2)cc(OC)c1OC ZINC000032984793 553884990 /nfs/dbraw/zinc/88/49/90/553884990.db2.gz XQEZDWZTXWHHRD-SFHVURJKSA-N 0 0 523.611 4.857 50 0 KJAARN COc1cc(-c2nc(CSc3nc4ccccc4c(=O)n3C[C@H]3CCCO3)c(C)o2)cc(OC)c1OC ZINC000032984794 553884960 /nfs/dbraw/zinc/88/49/60/553884960.db2.gz XQEZDWZTXWHHRD-GOSISDBHSA-N 0 0 523.611 4.857 50 0 KJAARN COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1ccc(C)cc1C ZINC000032984934 553885307 /nfs/dbraw/zinc/88/53/07/553885307.db2.gz PLVYMNPKFPSDKE-UHFFFAOYSA-N 0 0 510.999 4.532 50 0 KJAARN COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1c(C)cccc1C ZINC000032984936 553885333 /nfs/dbraw/zinc/88/53/33/553885333.db2.gz NARATZYCCUMNEX-UHFFFAOYSA-N 0 0 510.999 4.532 50 0 KJAARN COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1cccc(Cl)c1 ZINC000032984957 553885568 /nfs/dbraw/zinc/88/55/68/553885568.db2.gz VNFCTQLSRKFLAA-UHFFFAOYSA-N 0 0 517.390 4.569 50 0 KJAARN COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1ccc(Cl)cc1 ZINC000032984958 553885597 /nfs/dbraw/zinc/88/55/97/553885597.db2.gz OJWUZMJRPPWNNT-UHFFFAOYSA-N 0 0 517.390 4.569 50 0 KJAARN COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1ccccc1Cl ZINC000032984964 553885519 /nfs/dbraw/zinc/88/55/19/553885519.db2.gz HKAYAAAQGDDRFZ-UHFFFAOYSA-N 0 0 517.390 4.569 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985179 553885463 /nfs/dbraw/zinc/88/54/63/553885463.db2.gz QFNYNDWGZMYRHR-HXUWFJFHSA-N 0 0 510.660 4.599 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985180 553885537 /nfs/dbraw/zinc/88/55/37/553885537.db2.gz QFNYNDWGZMYRHR-FQEVSTJZSA-N 0 0 510.660 4.599 50 0 KJAARN C[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(C5CCCCC5)cc4)ccc3n2)CC1 ZINC000032985204 553886025 /nfs/dbraw/zinc/88/60/25/553886025.db2.gz SWSOLYVIJDGUCH-UHFFFAOYSA-N 0 0 508.644 4.533 50 0 KJAARN CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(C5CCCCC5)cc4)ccc3n2)CC1 ZINC000032985205 553885879 /nfs/dbraw/zinc/88/58/79/553885879.db2.gz NJOZFVGMYZYDAI-UHFFFAOYSA-N 0 0 522.671 4.923 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000032985220 553885981 /nfs/dbraw/zinc/88/59/81/553885981.db2.gz MYGXAPVVWZVZKD-OAQYLSRUSA-N 0 0 524.687 4.907 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000032985221 553886011 /nfs/dbraw/zinc/88/60/11/553886011.db2.gz MYGXAPVVWZVZKD-NRFANRHFSA-N 0 0 524.687 4.907 50 0 KJAARN CCc1ccc(S(=O)(=O)Nc2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985240 553885884 /nfs/dbraw/zinc/88/58/84/553885884.db2.gz GJSKMJYUSIVFMT-FQEVSTJZSA-N 0 0 524.687 4.853 50 0 KJAARN CCc1ccc(S(=O)(=O)Nc2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985241 553886255 /nfs/dbraw/zinc/88/62/55/553886255.db2.gz GJSKMJYUSIVFMT-HXUWFJFHSA-N 0 0 524.687 4.853 50 0 KJAARN Cc1ccccc1S(=O)(=O)Nc1ccc2nc(N3CC[NH+]([C@H](C)CC(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000032985252 553886324 /nfs/dbraw/zinc/88/63/24/553886324.db2.gz JCCFXBLGUMLNNZ-HXUWFJFHSA-N 0 0 510.660 4.599 50 0 KJAARN Cc1ccccc1S(=O)(=O)Nc1ccc2nc(N3CC[NH+]([C@@H](C)CC(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000032985253 553886216 /nfs/dbraw/zinc/88/62/16/553886216.db2.gz JCCFXBLGUMLNNZ-FQEVSTJZSA-N 0 0 510.660 4.599 50 0 KJAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(N3CC[NH+]([C@H](C)CC(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000032985264 553886297 /nfs/dbraw/zinc/88/62/97/553886297.db2.gz ZYBGXLBWZNKAHO-LJQANCHMSA-N 0 0 528.650 4.738 50 0 KJAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(N3CC[NH+]([C@@H](C)CC(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000032985265 553886167 /nfs/dbraw/zinc/88/61/67/553886167.db2.gz ZYBGXLBWZNKAHO-IBGZPJMESA-N 0 0 528.650 4.738 50 0 KJAARN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)ccc3n2)CC1 ZINC000032985283 553886158 /nfs/dbraw/zinc/88/61/58/553886158.db2.gz MKMVQXADZNIWAL-UHFFFAOYSA-N 0 0 523.442 4.573 50 0 KJAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000032985292 553886354 /nfs/dbraw/zinc/88/63/54/553886354.db2.gz NVVUFXBIIZTNFR-OAQYLSRUSA-N 0 0 524.687 4.907 50 0 KJAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000032985293 553886231 /nfs/dbraw/zinc/88/62/31/553886231.db2.gz NVVUFXBIIZTNFR-NRFANRHFSA-N 0 0 524.687 4.907 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)c1 ZINC000032992730 553887312 /nfs/dbraw/zinc/88/73/12/553887312.db2.gz GLXWUBZGHLKNBF-UHFFFAOYSA-N 0 0 521.639 4.978 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)c1 ZINC000032992732 553887285 /nfs/dbraw/zinc/88/72/85/553887285.db2.gz FROVBCZAZMDFIS-UHFFFAOYSA-N 0 0 524.614 4.725 50 0 KJAARN CCCCN(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032994498 553887339 /nfs/dbraw/zinc/88/73/39/553887339.db2.gz SQRZJCSQLGKJOA-UHFFFAOYSA-N 0 0 503.578 4.576 50 0 KJAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cn(-c2ccc(C)cc2)nc1-c1cccc(OC)c1 ZINC000032999528 553887499 /nfs/dbraw/zinc/88/74/99/553887499.db2.gz KHBCAWVUVNKCLU-UHFFFAOYSA-N 0 0 525.609 4.916 50 0 KJAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000033010808 553888043 /nfs/dbraw/zinc/88/80/43/553888043.db2.gz RCJRBWAPCJYWLY-UHFFFAOYSA-N 0 0 504.559 4.888 50 0 KJAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000033010836 553888257 /nfs/dbraw/zinc/88/82/57/553888257.db2.gz XTCQEFKZJKJFEN-UHFFFAOYSA-N 0 0 515.458 4.632 50 0 KJAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000033010837 553888274 /nfs/dbraw/zinc/88/82/74/553888274.db2.gz PZZBYZXHZLTRQW-UHFFFAOYSA-N 0 0 509.429 4.570 50 0 KJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000033010844 553888252 /nfs/dbraw/zinc/88/82/52/553888252.db2.gz YXRYEKKCBVCEOR-UHFFFAOYSA-N 0 0 504.559 4.888 50 0 KJAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000033010847 553888230 /nfs/dbraw/zinc/88/82/30/553888230.db2.gz LCTOYPMBPVIQSX-UHFFFAOYSA-N 0 0 504.559 4.888 50 0 KJAARN O=S(=O)(c1cccc(Br)c1)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000033010904 553888237 /nfs/dbraw/zinc/88/82/37/553888237.db2.gz WXBKTKLOZNAPJT-UHFFFAOYSA-N 0 0 515.458 4.632 50 0 KJAARN O=S(=O)(c1ccccc1Br)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000033012146 553888197 /nfs/dbraw/zinc/88/81/97/553888197.db2.gz JANWKJGVGTVPBU-UHFFFAOYSA-N 0 0 515.458 4.632 50 0 KJAARN O=S(=O)(c1ccccc1Br)N1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000033012147 553888311 /nfs/dbraw/zinc/88/83/11/553888311.db2.gz YLNVQLIETGZWKK-UHFFFAOYSA-N 0 0 509.429 4.570 50 0 KJAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000033012154 553888222 /nfs/dbraw/zinc/88/82/22/553888222.db2.gz AYRDHHQCDUWWQB-UHFFFAOYSA-N 0 0 514.529 4.706 50 0 KJAARN COc1cccc(CNC(=O)CSc2nc3cc(-c4ccccc4)[nH]c3c(=O)n2Cc2ccccc2)c1 ZINC000033022285 553888620 /nfs/dbraw/zinc/88/86/20/553888620.db2.gz RIMQNFGNLVGJOO-UHFFFAOYSA-N 0 0 510.619 4.857 50 0 KJAARN COc1ccc(CNC(=O)CSc2nc3cc(-c4ccccc4)[nH]c3c(=O)n2Cc2ccccc2)cc1 ZINC000033022287 553888628 /nfs/dbraw/zinc/88/86/28/553888628.db2.gz MYUTXQQLEZLVHY-UHFFFAOYSA-N 0 0 510.619 4.857 50 0 KJAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)NC1CCCCCC1 ZINC000033024873 553889402 /nfs/dbraw/zinc/88/94/02/553889402.db2.gz CQHNVEGMOKGPJD-UHFFFAOYSA-N 0 0 504.056 4.525 50 0 KJAARN C[C@@H](NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)c1ccccc1 ZINC000033024884 553889525 /nfs/dbraw/zinc/88/95/25/553889525.db2.gz WMKYXGOTJXEIEW-MRXNPFEDSA-N 0 0 512.035 4.564 50 0 KJAARN C[C@H](NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)c1ccccc1 ZINC000033024885 553889443 /nfs/dbraw/zinc/88/94/43/553889443.db2.gz WMKYXGOTJXEIEW-INIZCTEOSA-N 0 0 512.035 4.564 50 0 KJAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)NCCC1=CCCCC1 ZINC000033024897 553889462 /nfs/dbraw/zinc/88/94/62/553889462.db2.gz RKGOJPBCKZGXRU-UHFFFAOYSA-N 0 0 516.067 4.693 50 0 KJAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1)NC1CCCCCC1 ZINC000033025035 553890067 /nfs/dbraw/zinc/89/00/67/553890067.db2.gz BDCRTSLPEKJLIB-UHFFFAOYSA-N 0 0 504.056 4.525 50 0 KJAARN Cc1cccc(NC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)CC2)c1C ZINC000033025037 553890008 /nfs/dbraw/zinc/89/00/08/553890008.db2.gz NNVWCECATSSLGP-UHFFFAOYSA-N 0 0 512.035 4.942 50 0 KJAARN Cc1ccc(C)c(NC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)CC2)c1 ZINC000033025046 553890065 /nfs/dbraw/zinc/89/00/65/553890065.db2.gz RDJNLQKJOZOQBF-UHFFFAOYSA-N 0 0 512.035 4.942 50 0 KJAARN Cc1ccc(NC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)CC2)c(C)c1 ZINC000033025047 553890088 /nfs/dbraw/zinc/89/00/88/553890088.db2.gz QXSIRGICNRTZNO-UHFFFAOYSA-N 0 0 512.035 4.942 50 0 KJAARN C[C@@H](NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1)c1ccccc1 ZINC000033025050 553890083 /nfs/dbraw/zinc/89/00/83/553890083.db2.gz PQUFDPCKVYDOAZ-MRXNPFEDSA-N 0 0 512.035 4.564 50 0 KJAARN C[C@H](NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1)c1ccccc1 ZINC000033025051 553890099 /nfs/dbraw/zinc/89/00/99/553890099.db2.gz PQUFDPCKVYDOAZ-INIZCTEOSA-N 0 0 512.035 4.564 50 0 KJAARN Cc1ccc(NC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)CC2)cc1C ZINC000033025052 553889995 /nfs/dbraw/zinc/88/99/95/553889995.db2.gz IWPRLFKBOSZTMK-UHFFFAOYSA-N 0 0 512.035 4.942 50 0 KJAARN Cc1cc(C)cc(NC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)CC2)c1 ZINC000033025057 553890406 /nfs/dbraw/zinc/89/04/06/553890406.db2.gz VVIWXWBATCESLN-UHFFFAOYSA-N 0 0 512.035 4.942 50 0 KJAARN CCc1cccc(NC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)CC2)c1 ZINC000033025062 553890475 /nfs/dbraw/zinc/89/04/75/553890475.db2.gz NUHOKTGEAHPWFT-UHFFFAOYSA-N 0 0 512.035 4.887 50 0 KJAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1)Nc1cc(F)ccc1F ZINC000033025063 553890418 /nfs/dbraw/zinc/89/04/18/553890418.db2.gz DWTSOOQDYWFUHT-UHFFFAOYSA-N 0 0 519.961 4.603 50 0 KJAARN Cc1ccc(NC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)CC2)cc1F ZINC000033025064 553890377 /nfs/dbraw/zinc/89/03/77/553890377.db2.gz SCYJXPRUSFXAGZ-UHFFFAOYSA-N 0 0 515.998 4.772 50 0 KJAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1)Nc1ccc(F)c(F)c1 ZINC000033025065 553890463 /nfs/dbraw/zinc/89/04/63/553890463.db2.gz YQQMSQXWCALGEN-UHFFFAOYSA-N 0 0 519.961 4.603 50 0 KJAARN Cc1cc(F)ccc1NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1 ZINC000033025067 553890461 /nfs/dbraw/zinc/89/04/61/553890461.db2.gz PPAOLCQHYLXJHT-UHFFFAOYSA-N 0 0 515.998 4.772 50 0 KJAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1)Nc1c(F)cccc1F ZINC000033025069 553890415 /nfs/dbraw/zinc/89/04/15/553890415.db2.gz ZQALEPKZNWJOET-UHFFFAOYSA-N 0 0 519.961 4.603 50 0 KJAARN COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000033026964 553890613 /nfs/dbraw/zinc/89/06/13/553890613.db2.gz NUSMNCQQVNSPNO-UHFFFAOYSA-N 0 0 514.047 4.544 50 0 KJAARN COc1ccc(CNC(=O)c2cccc(NC(=O)c3nnc(COc4ccc(Cl)cc4)s3)c2)cc1 ZINC000033027093 553890726 /nfs/dbraw/zinc/89/07/26/553890726.db2.gz CSHRIIGLRIISLG-UHFFFAOYSA-N 0 0 508.987 4.961 50 0 KJAARN COc1ccccc1CNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027120 553890695 /nfs/dbraw/zinc/89/06/95/553890695.db2.gz BLWDOJITBBAMMS-UHFFFAOYSA-N 0 0 508.987 4.961 50 0 KJAARN COc1cccc(CNC(=O)c2cccc(NC(=O)c3nnc(COc4ccc(Cl)cc4)s3)c2)c1 ZINC000033027122 553890647 /nfs/dbraw/zinc/89/06/47/553890647.db2.gz GBSDEXUTAJDREA-UHFFFAOYSA-N 0 0 508.987 4.961 50 0 KJAARN Cc1noc(C)c1CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027135 553890679 /nfs/dbraw/zinc/89/06/79/553890679.db2.gz MXNVGAYNOAMAIT-UHFFFAOYSA-N 0 0 511.991 4.600 50 0 KJAARN CN(CCCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccccc3)s2)c1)c1ccccc1 ZINC000033027275 553891031 /nfs/dbraw/zinc/89/10/31/553891031.db2.gz OSNUZXRUNSVCKT-UHFFFAOYSA-N 0 0 501.612 4.626 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000033027918 553891087 /nfs/dbraw/zinc/89/10/87/553891087.db2.gz KMNNZSJCCXZZHJ-UHFFFAOYSA-N 0 0 508.987 4.961 50 0 KJAARN COc1cccc(CNC(=O)c2ccc(NC(=O)c3nnc(COc4ccc(Cl)cc4)s3)cc2)c1 ZINC000033027919 553891008 /nfs/dbraw/zinc/89/10/08/553891008.db2.gz QAVSJSDCPPXRHX-UHFFFAOYSA-N 0 0 508.987 4.961 50 0 KJAARN Cc1noc(C)c1CCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000033027929 553891061 /nfs/dbraw/zinc/89/10/61/553891061.db2.gz CHIKXTZTHWPBNE-UHFFFAOYSA-N 0 0 511.991 4.600 50 0 KJAARN CCOc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(COc4ccccc4)s3)cc2)cc1OC ZINC000033028004 553890987 /nfs/dbraw/zinc/89/09/87/553890987.db2.gz MZKWROLINRSXFM-UHFFFAOYSA-N 0 0 518.595 4.707 50 0 KJAARN CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)ccc2Cl)cc1 ZINC000033028921 553891283 /nfs/dbraw/zinc/89/12/83/553891283.db2.gz FLYDVSTVLJVZBD-HSZRJFAPSA-N 0 0 502.036 4.572 50 0 KJAARN CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)ccc2Cl)cc1 ZINC000033028923 553891342 /nfs/dbraw/zinc/89/13/42/553891342.db2.gz FLYDVSTVLJVZBD-QHCPKHFHSA-N 0 0 502.036 4.572 50 0 KJAARN COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NC4CCCCCC4)cc3)s2)cc1OC ZINC000033031953 553891239 /nfs/dbraw/zinc/89/12/39/553891239.db2.gz GAQVYLBRKBWKEQ-UHFFFAOYSA-N 0 0 510.616 4.839 50 0 KJAARN COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCc4ccc(C)cc4)cc3)s2)cc1OC ZINC000033031971 553891215 /nfs/dbraw/zinc/89/12/15/553891215.db2.gz ZSJKFUKVKVILIX-UHFFFAOYSA-N 0 0 518.595 4.625 50 0 KJAARN COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)s2)cc1OC ZINC000033031987 553891355 /nfs/dbraw/zinc/89/13/55/553891355.db2.gz RVIKWHDHEVQWDF-KRWDZBQOSA-N 0 0 518.595 4.878 50 0 KJAARN COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)s2)cc1OC ZINC000033031991 553891278 /nfs/dbraw/zinc/89/12/78/553891278.db2.gz RVIKWHDHEVQWDF-QGZVFWFLSA-N 0 0 518.595 4.878 50 0 KJAARN COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCc4cccc(C)c4)cc3)s2)cc1OC ZINC000033031996 553891332 /nfs/dbraw/zinc/89/13/32/553891332.db2.gz WVNSCHANRMFYGU-UHFFFAOYSA-N 0 0 518.595 4.625 50 0 KJAARN COc1ccc(OCc2nnc(C(=O)Nc3ccc(C(=O)NCc4ccccc4C)cc3)s2)cc1OC ZINC000033032045 553891738 /nfs/dbraw/zinc/89/17/38/553891738.db2.gz GTKKHCJBCCPQDL-UHFFFAOYSA-N 0 0 518.595 4.625 50 0 KJAARN Cc1ccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccccc4)ncc3S2(=O)=O)cc1 ZINC000033039604 553893016 /nfs/dbraw/zinc/89/30/16/553893016.db2.gz WIANCIVITTTWOG-UHFFFAOYSA-N 0 0 502.621 4.892 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1cc(Cl)ccc1N(Cc1ccccc1)S2(=O)=O)NC1CCCC1 ZINC000033039728 553892986 /nfs/dbraw/zinc/89/29/86/553892986.db2.gz FKEBZFSOCBTRSN-UHFFFAOYSA-N 0 0 515.060 4.657 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2c(C)nn(-c3ccccc3)c2SCC(=O)N1c1ccc(F)cc1 ZINC000033039943 553893299 /nfs/dbraw/zinc/89/32/99/553893299.db2.gz ZKSYBJXIBQXWHS-AREMUKBSSA-N 0 0 516.598 4.825 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2c(C)nn(-c3ccccc3)c2SCC(=O)N1c1ccc(F)cc1 ZINC000033039944 553893322 /nfs/dbraw/zinc/89/33/22/553893322.db2.gz ZKSYBJXIBQXWHS-SANMLTNESA-N 0 0 516.598 4.825 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2c(C)nn(-c3ccccc3)c2SCC(=O)N1Cc1ccc(C)cc1 ZINC000033039945 553893344 /nfs/dbraw/zinc/89/33/44/553893344.db2.gz GONKTWKQGGHNPH-MUUNZHRXSA-N 0 0 526.662 4.990 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2c(C)nn(-c3ccccc3)c2SCC(=O)N1Cc1ccc(C)cc1 ZINC000033039946 553893292 /nfs/dbraw/zinc/89/32/92/553893292.db2.gz GONKTWKQGGHNPH-NDEPHWFRSA-N 0 0 526.662 4.990 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2c(C)nn(-c3ccccc3)c2SCC(=O)N1c1cccc(F)c1 ZINC000033039953 553893320 /nfs/dbraw/zinc/89/33/20/553893320.db2.gz WEYRILZPUDSQRD-AREMUKBSSA-N 0 0 516.598 4.825 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2c(C)nn(-c3ccccc3)c2SCC(=O)N1c1cccc(F)c1 ZINC000033039954 553893286 /nfs/dbraw/zinc/89/32/86/553893286.db2.gz WEYRILZPUDSQRD-SANMLTNESA-N 0 0 516.598 4.825 50 0 KJAARN COc1ccccc1N1C(=O)CSc2c(c(C)nn2-c2ccccc2)[C@@H]1C(=O)NCc1ccc(C)cc1 ZINC000033039957 553893316 /nfs/dbraw/zinc/89/33/16/553893316.db2.gz DTUWZUJRRBNDIA-HHHXNRCGSA-N 0 0 512.635 4.994 50 0 KJAARN COc1ccccc1N1C(=O)CSc2c(c(C)nn2-c2ccccc2)[C@H]1C(=O)NCc1ccc(C)cc1 ZINC000033039958 553893294 /nfs/dbraw/zinc/89/32/94/553893294.db2.gz DTUWZUJRRBNDIA-MHZLTWQESA-N 0 0 512.635 4.994 50 0 KJAARN Cc1ccc2[nH]c(CNC(=O)C3CCN(c4ccc(-c5ccc(Br)s5)nn4)CC3)nc2c1 ZINC000033040471 553893565 /nfs/dbraw/zinc/89/35/65/553893565.db2.gz QLMIOBWFOVFEKJ-UHFFFAOYSA-N 0 0 511.449 4.685 50 0 KJAARN CCOC(=O)CNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000033051006 553895343 /nfs/dbraw/zinc/89/53/43/553895343.db2.gz FCHWCOJWYHWLSA-SANMLTNESA-N 0 0 501.562 4.542 50 0 KJAARN CCOC(=O)CNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000033051008 553895345 /nfs/dbraw/zinc/89/53/45/553895345.db2.gz FCHWCOJWYHWLSA-AREMUKBSSA-N 0 0 501.562 4.542 50 0 KJAARN CCOC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(SC)cc1 ZINC000033051142 553895827 /nfs/dbraw/zinc/89/58/27/553895827.db2.gz SKRKCLNEHPLDNZ-SANMLTNESA-N 0 0 515.639 4.871 50 0 KJAARN CCOC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(SC)cc1 ZINC000033051144 553895788 /nfs/dbraw/zinc/89/57/88/553895788.db2.gz SKRKCLNEHPLDNZ-AREMUKBSSA-N 0 0 515.639 4.871 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1cccc(OCC)c1 ZINC000033052722 553901487 /nfs/dbraw/zinc/90/14/87/553901487.db2.gz LDIXWVRGEUQODF-NDEPHWFRSA-N 0 0 527.625 4.938 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1cccc(OCC)c1 ZINC000033052724 553901381 /nfs/dbraw/zinc/90/13/81/553901381.db2.gz LDIXWVRGEUQODF-MUUNZHRXSA-N 0 0 527.625 4.938 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(CC)cc3)nc3ccccc3c2=O)cc1 ZINC000033058555 553902553 /nfs/dbraw/zinc/90/25/53/553902553.db2.gz GEJBQOZRQCTFNM-UHFFFAOYSA-N 0 0 514.651 4.878 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccccc3Cl)nc3ccccc3c2=O)cc1 ZINC000033058556 553902547 /nfs/dbraw/zinc/90/25/47/553902547.db2.gz PNTSRCIIEDTGJK-UHFFFAOYSA-N 0 0 521.042 4.969 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3)nc3ccccc3c2=O)cc1 ZINC000033058557 553902544 /nfs/dbraw/zinc/90/25/44/553902544.db2.gz YGUFFVGOHZDJTF-UHFFFAOYSA-N 0 0 500.624 4.624 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1 ZINC000033058559 553902549 /nfs/dbraw/zinc/90/25/49/553902549.db2.gz AKBVRIOMWKDQCR-UHFFFAOYSA-N 0 0 514.651 4.932 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccccc3CC)nc3ccccc3c2=O)cc1 ZINC000033058560 553902729 /nfs/dbraw/zinc/90/27/29/553902729.db2.gz ZRZSYSGPEKGVTE-UHFFFAOYSA-N 0 0 514.651 4.878 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccccc3C)nc3ccccc3c2=O)cc1 ZINC000033058568 553902822 /nfs/dbraw/zinc/90/28/22/553902822.db2.gz OXSWQCLIPNWAQT-UHFFFAOYSA-N 0 0 500.624 4.624 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)cc1 ZINC000033058569 553902835 /nfs/dbraw/zinc/90/28/35/553902835.db2.gz FJCXGFLHVMQCEA-UHFFFAOYSA-N 0 0 500.624 4.624 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 ZINC000033058570 553902770 /nfs/dbraw/zinc/90/27/70/553902770.db2.gz NCPCNXBSQZPARO-UHFFFAOYSA-N 0 0 521.042 4.969 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccccc3c2=O)cc1 ZINC000033058571 553902724 /nfs/dbraw/zinc/90/27/24/553902724.db2.gz KDMMOMLUICBWQT-UHFFFAOYSA-N 0 0 514.651 4.932 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 ZINC000033058572 553902800 /nfs/dbraw/zinc/90/28/00/553902800.db2.gz MTYQBHYNBUWSOB-UHFFFAOYSA-N 0 0 522.577 4.594 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3cccc(CC)c3)nc3ccccc3c2=O)cc1 ZINC000033058574 553902857 /nfs/dbraw/zinc/90/28/57/553902857.db2.gz HSNXOVDMQSFLFO-UHFFFAOYSA-N 0 0 514.651 4.878 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(F)c3)nc3ccccc3c2=O)cc1 ZINC000033058575 553902715 /nfs/dbraw/zinc/90/27/15/553902715.db2.gz FWPVPWLIYMBKEM-UHFFFAOYSA-N 0 0 518.614 4.763 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3ccccc3c2=O)cc1 ZINC000033058577 553902782 /nfs/dbraw/zinc/90/27/82/553902782.db2.gz GCZIUGJQNIXURH-UHFFFAOYSA-N 0 0 514.651 4.932 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 ZINC000033058578 553902735 /nfs/dbraw/zinc/90/27/35/553902735.db2.gz VFFKMYFYIDGUAK-UHFFFAOYSA-N 0 0 521.042 4.969 50 0 KJAARN CCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3cc(F)ccc3F)nc3ccccc3c2=O)cc1 ZINC000033058580 553902862 /nfs/dbraw/zinc/90/28/62/553902862.db2.gz FLEMOWVCYAJWQG-UHFFFAOYSA-N 0 0 522.577 4.594 50 0 KJAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000033058593 553902765 /nfs/dbraw/zinc/90/27/65/553902765.db2.gz XLHALZQILHUMDR-UHFFFAOYSA-N 0 0 514.651 4.876 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccccc3Cl)nc3ccccc3c2=O)cc1 ZINC000033058594 553902697 /nfs/dbraw/zinc/90/26/97/553902697.db2.gz QSNBGUWSDNTFIH-UHFFFAOYSA-N 0 0 521.042 4.967 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000033058595 553902775 /nfs/dbraw/zinc/90/27/75/553902775.db2.gz RJMHPSVWHDCDBX-UHFFFAOYSA-N 0 0 500.624 4.622 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)cc1C ZINC000033058597 553902849 /nfs/dbraw/zinc/90/28/49/553902849.db2.gz FCLBJZOJLXIMMX-UHFFFAOYSA-N 0 0 514.651 4.931 50 0 KJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC(C)C)cc1 ZINC000033058598 553902755 /nfs/dbraw/zinc/90/27/55/553902755.db2.gz QZEODFUSVNBAAP-UHFFFAOYSA-N 0 0 514.651 4.876 50 0 KJAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC(C)C)cc1 ZINC000033058606 553902830 /nfs/dbraw/zinc/90/28/30/553902830.db2.gz NMWJQBXSUFVUKX-UHFFFAOYSA-N 0 0 500.624 4.622 50 0 KJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000033058607 553902864 /nfs/dbraw/zinc/90/28/64/553902864.db2.gz IAENKZLDRLNVCR-UHFFFAOYSA-N 0 0 500.624 4.622 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 ZINC000033058608 553903018 /nfs/dbraw/zinc/90/30/18/553903018.db2.gz RLYNOUOTJAIZFN-UHFFFAOYSA-N 0 0 521.042 4.967 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)c(C)c1 ZINC000033058609 553903042 /nfs/dbraw/zinc/90/30/42/553903042.db2.gz ONWZTNUNQCLHPI-UHFFFAOYSA-N 0 0 514.651 4.931 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 ZINC000033058610 553902984 /nfs/dbraw/zinc/90/29/84/553902984.db2.gz PAUDYKYWYNFVFU-UHFFFAOYSA-N 0 0 522.577 4.592 50 0 KJAARN CCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000033058612 553903032 /nfs/dbraw/zinc/90/30/32/553903032.db2.gz GBONHFGCCUVRJZ-UHFFFAOYSA-N 0 0 514.651 4.876 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)cc1F ZINC000033058613 553902954 /nfs/dbraw/zinc/90/29/54/553902954.db2.gz MPJUBKLQUJEMGA-UHFFFAOYSA-N 0 0 518.614 4.761 50 0 KJAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000033058616 553903001 /nfs/dbraw/zinc/90/30/01/553903001.db2.gz PZLQLZAFFZDKBL-UHFFFAOYSA-N 0 0 514.651 4.931 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 ZINC000033058617 553902956 /nfs/dbraw/zinc/90/29/56/553902956.db2.gz GHYRFRBOTCQEMB-UHFFFAOYSA-N 0 0 521.042 4.967 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)Nc3cc(F)ccc3F)nc3ccccc3c2=O)cc1 ZINC000033058619 553903046 /nfs/dbraw/zinc/90/30/46/553903046.db2.gz BUSMIRFMVDZGTI-UHFFFAOYSA-N 0 0 522.577 4.592 50 0 KJAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000033058627 553902967 /nfs/dbraw/zinc/90/29/67/553902967.db2.gz YIXMHEJRDTWXPI-UHFFFAOYSA-N 0 0 512.635 4.630 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1Cl ZINC000033058628 553902992 /nfs/dbraw/zinc/90/29/92/553902992.db2.gz HGFIEAGSFGZCML-UHFFFAOYSA-N 0 0 519.026 4.721 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)cc1C ZINC000033058630 553902942 /nfs/dbraw/zinc/90/29/42/553902942.db2.gz HCWWPTMQIAORMZ-UHFFFAOYSA-N 0 0 512.635 4.685 50 0 KJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000033058631 553902957 /nfs/dbraw/zinc/90/29/57/553902957.db2.gz ZCOPILRNPLFDSC-UHFFFAOYSA-N 0 0 512.635 4.630 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1)Nc1cccc(Cl)c1 ZINC000033058638 553903036 /nfs/dbraw/zinc/90/30/36/553903036.db2.gz IPPRDBVYGYMOES-UHFFFAOYSA-N 0 0 519.026 4.721 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c(C)c1 ZINC000033058639 553903009 /nfs/dbraw/zinc/90/30/09/553903009.db2.gz KMTPFFMGYLFQFK-UHFFFAOYSA-N 0 0 512.635 4.685 50 0 KJAARN CCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000033058642 553902951 /nfs/dbraw/zinc/90/29/51/553902951.db2.gz XABGSBIULWOMJA-UHFFFAOYSA-N 0 0 512.635 4.630 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)cc1F ZINC000033058643 553902979 /nfs/dbraw/zinc/90/29/79/553902979.db2.gz XDRVXDHCJDRCBH-UHFFFAOYSA-N 0 0 516.598 4.515 50 0 KJAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000033058646 553902997 /nfs/dbraw/zinc/90/29/97/553902997.db2.gz AVNRFSWXKUMDII-UHFFFAOYSA-N 0 0 512.635 4.685 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1)Nc1ccc(Cl)cc1 ZINC000033058647 553902949 /nfs/dbraw/zinc/90/29/49/553902949.db2.gz MNGDNQJCEANRTH-UHFFFAOYSA-N 0 0 519.026 4.721 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1)NCc1ccccc1 ZINC000033058655 553903363 /nfs/dbraw/zinc/90/33/63/553903363.db2.gz YNCRVODFJGHWRR-UHFFFAOYSA-N 0 0 526.662 4.526 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1)NC1CCCCC1 ZINC000033058657 553903342 /nfs/dbraw/zinc/90/33/42/553903342.db2.gz LGWXFFIPDDQPJP-UHFFFAOYSA-N 0 0 518.683 4.658 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1)Nc1ccccc1 ZINC000033058666 553903310 /nfs/dbraw/zinc/90/33/10/553903310.db2.gz CXXQHEQCRSYNKM-UHFFFAOYSA-N 0 0 512.635 4.848 50 0 KJAARN CC(C)CCNC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000033058671 553903272 /nfs/dbraw/zinc/90/32/72/553903272.db2.gz GDMISLFDPDUYQD-UHFFFAOYSA-N 0 0 528.678 4.629 50 0 KJAARN CC(C)CCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000033058681 553903268 /nfs/dbraw/zinc/90/32/68/553903268.db2.gz BFQIVOBMRKNARU-UHFFFAOYSA-N 0 0 514.651 4.952 50 0 KJAARN COCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000033058691 553903294 /nfs/dbraw/zinc/90/32/94/553903294.db2.gz QWMXEWWLJOOOKH-UHFFFAOYSA-N 0 0 512.006 4.906 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(=O)c3cc(Cl)ccc3nc2SCC(=O)NC2CCCCC2)cc1 ZINC000033058703 553903360 /nfs/dbraw/zinc/90/33/60/553903360.db2.gz KFIXAGBJFFYOMH-UHFFFAOYSA-N 0 0 527.090 4.777 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccccc3)nc3ccc(Cl)cc3c2=O)cc1 ZINC000033058708 553903321 /nfs/dbraw/zinc/90/33/21/553903321.db2.gz XTAGDSPYQRTDRM-UHFFFAOYSA-N 0 0 521.042 4.967 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3nc2SCc2ccccc2F)OCO4)cc1 ZINC000033058715 553903492 /nfs/dbraw/zinc/90/34/92/553903492.db2.gz QDBMOJXNGNDUTF-UHFFFAOYSA-N 0 0 505.571 4.743 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3nc2SCc2cccc(F)c2)OCO4)cc1 ZINC000033058716 553903497 /nfs/dbraw/zinc/90/34/97/553903497.db2.gz HZBWTGJLJDPLHT-UHFFFAOYSA-N 0 0 505.571 4.743 50 0 KJAARN Cc1ccc(CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)OCO4)cc1 ZINC000033058717 553903478 /nfs/dbraw/zinc/90/34/78/553903478.db2.gz FXVOPFWSFYRFHJ-UHFFFAOYSA-N 0 0 501.608 4.912 50 0 KJAARN Cc1cccc(CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)OCO4)c1 ZINC000033058719 553903527 /nfs/dbraw/zinc/90/35/27/553903527.db2.gz RBBXWKRFJYLYBI-UHFFFAOYSA-N 0 0 501.608 4.912 50 0 KJAARN COc1cccc(CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)OCO4)c1 ZINC000033058721 553903518 /nfs/dbraw/zinc/90/35/18/553903518.db2.gz YWXHVDJGGIVMNM-UHFFFAOYSA-N 0 0 517.607 4.613 50 0 KJAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)cc1OC ZINC000033058724 553903495 /nfs/dbraw/zinc/90/34/95/553903495.db2.gz XPJXPAGKSYJBDN-PKNBQFBNSA-N 0 0 525.627 4.518 50 0 KJAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)c(OC)c1 ZINC000033058725 553903483 /nfs/dbraw/zinc/90/34/83/553903483.db2.gz YGJHKXHMODAQIZ-FMIVXFBMSA-N 0 0 525.627 4.518 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000033058738 553903500 /nfs/dbraw/zinc/90/35/00/553903500.db2.gz IXJIIVRTWPMSLQ-VAWYXSNFSA-N 0 0 514.047 4.832 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000033058742 553903512 /nfs/dbraw/zinc/90/35/12/553903512.db2.gz LNKZSKLUUXNMAF-JXMROGBWSA-N 0 0 501.555 4.779 50 0 KJAARN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000033058743 553903486 /nfs/dbraw/zinc/90/34/86/553903486.db2.gz GVOHWGRPFSYXIE-MDZDMXLPSA-N 0 0 525.627 4.518 50 0 KJAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)cc1 ZINC000033058757 553903573 /nfs/dbraw/zinc/90/35/73/553903573.db2.gz BHGWAXLFOPOROL-NTEUORMPSA-N 0 0 509.628 4.900 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCCCc2ccccc2)CC1 ZINC000033058758 553903516 /nfs/dbraw/zinc/90/35/16/553903516.db2.gz UWCFKPKKTVBZLM-CCEZHUSRSA-N 0 0 507.656 4.612 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1 ZINC000033058761 553903550 /nfs/dbraw/zinc/90/35/50/553903550.db2.gz WTIFYOWOERCUOZ-BUHFOSPRSA-N 0 0 505.640 4.842 50 0 KJAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C=Cc3ccc(C)cc3)CC2)c1 ZINC000033058778 553903803 /nfs/dbraw/zinc/90/38/03/553903803.db2.gz IOCBDPPEIUANRS-VAWYXSNFSA-N 0 0 507.612 4.704 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000033058799 553903809 /nfs/dbraw/zinc/90/38/09/553903809.db2.gz YDUIBYQYUHWMOJ-JXMROGBWSA-N 0 0 501.555 4.779 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000033058804 553903920 /nfs/dbraw/zinc/90/39/20/553903920.db2.gz HAGZDBALVITWMK-DRUFCSCSSA-N 0 0 505.640 4.840 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000033058805 553903826 /nfs/dbraw/zinc/90/38/26/553903826.db2.gz HAGZDBALVITWMK-SJFMBGHLSA-N 0 0 505.640 4.840 50 0 KJAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 ZINC000033058806 553903942 /nfs/dbraw/zinc/90/39/42/553903942.db2.gz WYSLLTLGMYMKBI-ZRDIBKRKSA-N 0 0 509.628 4.818 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CC[C@@H](c3ccccc3)C2)CC1 ZINC000033058818 553903938 /nfs/dbraw/zinc/90/39/38/553903938.db2.gz HBNMRROIYKDGBZ-WUZNFDRSSA-N 0 0 519.667 4.879 50 0 KJAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CC[C@H](c3ccccc3)C2)CC1 ZINC000033058819 553903878 /nfs/dbraw/zinc/90/38/78/553903878.db2.gz HBNMRROIYKDGBZ-JYSHFMIGSA-N 0 0 519.667 4.879 50 0 KJAARN CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000033058827 553903887 /nfs/dbraw/zinc/90/38/87/553903887.db2.gz JVOWICMBJQQRLU-XNTDXEJSSA-N 0 0 523.655 4.924 50 0 KJAARN CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)cc1 ZINC000033058829 553903934 /nfs/dbraw/zinc/90/39/34/553903934.db2.gz ZTGHHHDMJDANGK-SDNWHVSQSA-N 0 0 523.655 4.578 50 0 KJAARN 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Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N(C)C2CCCCC2)CC1 ZINC000033059035 553904902 /nfs/dbraw/zinc/90/49/02/553904902.db2.gz MFRSHSVKBUCCHC-PKNBQFBNSA-N 0 0 507.603 4.623 50 0 KJAARN Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000033059058 553905049 /nfs/dbraw/zinc/90/50/49/553905049.db2.gz JLGPGEFAFBNCID-VMPITWQZSA-N 0 0 519.545 4.919 50 0 KJAARN Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2C)CC1 ZINC000033059062 553905071 /nfs/dbraw/zinc/90/50/71/553905071.db2.gz TZXVDBIPWRKSOA-XBXARRHUSA-N 0 0 519.545 4.919 50 0 KJAARN Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N(C)c2cccc(C)c2)CC1 ZINC000033059064 553905179 /nfs/dbraw/zinc/90/51/79/553905179.db2.gz GKNKPCNQFFQBGU-CSKARUKUSA-N 0 0 515.582 4.804 50 0 KJAARN Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N(C)c2ccc(C)cc2)CC1 ZINC000033059065 553905192 /nfs/dbraw/zinc/90/51/92/553905192.db2.gz WXXHFNSVEGOLAU-YRNVUSSQSA-N 0 0 515.582 4.804 50 0 KJAARN 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CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(C(=O)c2ccc(C)cc2)c2ccc(C)c(F)c2)CC1 ZINC000033068370 553905442 /nfs/dbraw/zinc/90/54/42/553905442.db2.gz QEYUXCGRJUCTQE-UHFFFAOYSA-N 0 0 501.602 4.787 50 0 KJAARN CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(C(=O)c2ccc(C)cc2)c2ccc(F)c(F)c2)CC1 ZINC000033068372 553905395 /nfs/dbraw/zinc/90/53/95/553905395.db2.gz QBCSYLGQTFJNRY-UHFFFAOYSA-N 0 0 505.565 4.618 50 0 KJAARN CCOc1ccc(CN(C(=O)c2ccc(C)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000033068378 553905459 /nfs/dbraw/zinc/90/54/59/553905459.db2.gz SUINEBJJRSDNQR-UHFFFAOYSA-N 0 0 527.665 4.734 50 0 KJAARN CCc1ccc(CN(C(=O)c2ccc(C)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000033068383 553905404 /nfs/dbraw/zinc/90/54/04/553905404.db2.gz GYLNCEWYSPAFRG-UHFFFAOYSA-N 0 0 511.666 4.897 50 0 KJAARN COc1ccc(C(=O)N(c2cccc(Cl)c2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000033068386 553905498 /nfs/dbraw/zinc/90/54/98/553905498.db2.gz CLIIEEBFFWJPNC-UHFFFAOYSA-N 0 0 520.029 4.693 50 0 KJAARN COc1ccc(C(=O)N(c2ccc(Cl)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000033068387 553905412 /nfs/dbraw/zinc/90/54/12/553905412.db2.gz LQACFRKPMNSGJQ-UHFFFAOYSA-N 0 0 520.029 4.693 50 0 KJAARN CCc1ccc(N(C(=O)c2ccc(OC)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000033068390 553905399 /nfs/dbraw/zinc/90/53/99/553905399.db2.gz DSWOMYSLWNCLEH-UHFFFAOYSA-N 0 0 513.638 4.602 50 0 KJAARN COc1ccc(C(=O)N(c2cc(C)cc(C)c2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000033068395 553905753 /nfs/dbraw/zinc/90/57/53/553905753.db2.gz VXCQUOMVGUTRCV-UHFFFAOYSA-N 0 0 513.638 4.656 50 0 KJAARN CCC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCc2ccccc2OC)CC1 ZINC000033069434 553905761 /nfs/dbraw/zinc/90/57/61/553905761.db2.gz KBEPXQWPYBSJJJ-UHFFFAOYSA-N 0 0 510.038 4.724 50 0 KJAARN CCC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2ccccc2OC)CC1 ZINC000033069440 553905854 /nfs/dbraw/zinc/90/58/54/553905854.db2.gz CUJLSFCLKQJWAZ-UHFFFAOYSA-N 0 0 524.065 4.767 50 0 KJAARN COc1ccc(NC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000033069443 553905842 /nfs/dbraw/zinc/90/58/42/553905842.db2.gz UMFQAFZRZSIBPW-UHFFFAOYSA-N 0 0 512.010 4.665 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1c(F)cccc1Cl)n(Cc1ccccc1)c2=O ZINC000033074118 553905873 /nfs/dbraw/zinc/90/58/73/553905873.db2.gz GGDAWXWUAVJEMB-UHFFFAOYSA-N 0 0 512.006 4.906 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1Cl)n(Cc1ccccc1)c2=O ZINC000033074122 553905834 /nfs/dbraw/zinc/90/58/34/553905834.db2.gz AYHXUUPKHOWXGO-UHFFFAOYSA-N 0 0 512.006 4.906 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n(CCc1ccccc1)c2=O ZINC000033074221 553906018 /nfs/dbraw/zinc/90/60/18/553906018.db2.gz JJOKAOMIQRGEQI-UHFFFAOYSA-N 0 0 508.043 4.961 50 0 KJAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)CC1 ZINC000033077468 553906012 /nfs/dbraw/zinc/90/60/12/553906012.db2.gz FNDFHDNHNJNYFV-UHFFFAOYSA-N 0 0 530.090 4.767 50 0 KJAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)CC1 ZINC000033077469 553906405 /nfs/dbraw/zinc/90/64/05/553906405.db2.gz MJAGASGPQMQNBM-UHFFFAOYSA-N 0 0 530.090 4.767 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)CC1 ZINC000033077476 553906354 /nfs/dbraw/zinc/90/63/54/553906354.db2.gz HLXPATVWMKDKAD-UHFFFAOYSA-N 0 0 530.090 4.767 50 0 KJAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)cc1Cl ZINC000033077477 553906345 /nfs/dbraw/zinc/90/63/45/553906345.db2.gz RWHQHDUSTNRBJT-UHFFFAOYSA-N 0 0 530.090 4.767 50 0 KJAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)c(Cl)c1 ZINC000033077481 553906396 /nfs/dbraw/zinc/90/63/96/553906396.db2.gz LPOQAGZFGPMSRT-UHFFFAOYSA-N 0 0 530.090 4.767 50 0 KJAARN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)CC1 ZINC000033077482 553906346 /nfs/dbraw/zinc/90/63/46/553906346.db2.gz KEVQHFCDZUVKMC-UHFFFAOYSA-N 0 0 523.699 4.676 50 0 KJAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)cc1 ZINC000033077483 553906366 /nfs/dbraw/zinc/90/63/66/553906366.db2.gz KDMUNUAELYFKGD-UHFFFAOYSA-N 0 0 523.699 4.929 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1c(F)cccc1Cl)n(-c1cccc(F)c1)c2=O ZINC000033077573 553906768 /nfs/dbraw/zinc/90/67/68/553906768.db2.gz RGJHLTRIDGKBHP-UHFFFAOYSA-N 0 0 515.969 4.986 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(OC)c1)n(-c1cc(C)cc(C)c1)c2=O ZINC000033077654 553906754 /nfs/dbraw/zinc/90/67/54/553906754.db2.gz AWESAUYLWVPVHX-UHFFFAOYSA-N 0 0 503.624 4.680 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1Cl)n(-c1ccc(OC)cc1)c2=O ZINC000033077714 553906890 /nfs/dbraw/zinc/90/68/90/553906890.db2.gz YISSROPMKXIULC-UHFFFAOYSA-N 0 0 510.015 4.716 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n(-c1ccc(OC)cc1)c2=O ZINC000033077715 553906934 /nfs/dbraw/zinc/90/69/34/553906934.db2.gz CHQDRXPOSMVZJO-UHFFFAOYSA-N 0 0 510.015 4.716 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(Cl)c1)n(-c1ccc(OC)cc1)c2=O ZINC000033077717 553906910 /nfs/dbraw/zinc/90/69/10/553906910.db2.gz VHNPFRWFVPPVJU-UHFFFAOYSA-N 0 0 510.015 4.716 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cc(C)ccc1C)n(-c1ccc(OC)cc1)c2=O ZINC000033077722 553906827 /nfs/dbraw/zinc/90/68/27/553906827.db2.gz VTDBFHGVXOHRFT-UHFFFAOYSA-N 0 0 503.624 4.680 50 0 KJAARN C=Cc1ccc(CSc2nc3cc(C(=O)NCCOC)ccc3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000033077724 553906837 /nfs/dbraw/zinc/90/68/37/553906837.db2.gz SRYGRMRAXOIFAD-UHFFFAOYSA-N 0 0 501.608 4.706 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1Cl)n(-c1cccc(OC)c1)c2=O ZINC000033077779 553907310 /nfs/dbraw/zinc/90/73/10/553907310.db2.gz MDVLFRJSDIWNOT-UHFFFAOYSA-N 0 0 510.015 4.716 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n(-c1cccc(OC)c1)c2=O ZINC000033077780 553907317 /nfs/dbraw/zinc/90/73/17/553907317.db2.gz RXBRCGSNLANWDS-UHFFFAOYSA-N 0 0 510.015 4.716 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(Cl)c1)n(-c1cccc(OC)c1)c2=O ZINC000033077782 553907218 /nfs/dbraw/zinc/90/72/18/553907218.db2.gz JJTHCDCWRQQGNP-UHFFFAOYSA-N 0 0 510.015 4.716 50 0 KJAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1cc(C)ccc1C)n(-c1cccc(OC)c1)c2=O ZINC000033077787 553907267 /nfs/dbraw/zinc/90/72/67/553907267.db2.gz HJCUKZGVLFKORP-UHFFFAOYSA-N 0 0 503.624 4.680 50 0 KJAARN C=Cc1ccc(CSc2nc3cc(C(=O)NCCOC)ccc3c(=O)n2-c2cccc(OC)c2)cc1 ZINC000033077789 553907245 /nfs/dbraw/zinc/90/72/45/553907245.db2.gz BDGZWXHQUSBPHH-UHFFFAOYSA-N 0 0 501.608 4.706 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n(-c1cc(OC)cc(OC)c1)c2=O ZINC000033077834 553907555 /nfs/dbraw/zinc/90/75/55/553907555.db2.gz JJYSSMHGISJWIJ-UHFFFAOYSA-N 0 0 507.587 4.974 50 0 KJAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n(-c1cc(OC)cc(OC)c1)c2=O ZINC000033077835 553907625 /nfs/dbraw/zinc/90/76/25/553907625.db2.gz RUMKBFKMFHVWSM-UHFFFAOYSA-N 0 0 507.587 4.974 50 0 KJAARN COc1cc(OC)cc(-n2c(=O)c3ccc(C(=O)NC(C)C)cc3nc2SCc2ccccc2F)c1 ZINC000033077843 553907587 /nfs/dbraw/zinc/90/75/87/553907587.db2.gz YVQACRNSAQBFIW-UHFFFAOYSA-N 0 0 507.587 4.973 50 0 KJAARN COc1cc(OC)cc(-n2c(=O)c3ccc(C(=O)NC(C)C)cc3nc2SCc2cccc(F)c2)c1 ZINC000033077844 553907596 /nfs/dbraw/zinc/90/75/96/553907596.db2.gz FWSOOQAGQBKZPK-UHFFFAOYSA-N 0 0 507.587 4.973 50 0 KJAARN O=C(c1ccc2c(c1)nc(SCc1ccccc1Cl)n(-c1ccc(F)cc1)c2=O)N1CCOCC1 ZINC000033077893 553907802 /nfs/dbraw/zinc/90/78/02/553907802.db2.gz KGOYTBQDINBGCV-UHFFFAOYSA-N 0 0 509.990 4.943 50 0 KJAARN O=C(c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n(-c1ccc(F)cc1)c2=O)N1CCOCC1 ZINC000033077894 553907828 /nfs/dbraw/zinc/90/78/28/553907828.db2.gz HUTIURLHRZPYKQ-UHFFFAOYSA-N 0 0 509.990 4.943 50 0 KJAARN O=C(c1ccc2c(c1)nc(SCc1cccc(Cl)c1)n(-c1ccc(F)cc1)c2=O)N1CCOCC1 ZINC000033077896 553907813 /nfs/dbraw/zinc/90/78/13/553907813.db2.gz PEHQWKIPNBLRIQ-UHFFFAOYSA-N 0 0 509.990 4.943 50 0 KJAARN Cc1ccc(C)c(CSc2nc3cc(C(=O)N4CCOCC4)ccc3c(=O)n2-c2ccc(F)cc2)c1 ZINC000033077898 553907819 /nfs/dbraw/zinc/90/78/19/553907819.db2.gz IIRADEZLLKUAHU-UHFFFAOYSA-N 0 0 503.599 4.906 50 0 KJAARN C=Cc1ccc(CSc2nc3cc(C(=O)N4CCOCC4)ccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000033077899 553907778 /nfs/dbraw/zinc/90/77/78/553907778.db2.gz BPOVHMZCALZLKT-UHFFFAOYSA-N 0 0 501.583 4.933 50 0 KJAARN O=C(c1ccc2c(c1)nc(SCc1ccccc1Cl)n(-c1cccc(F)c1)c2=O)N1CCOCC1 ZINC000033077950 553908011 /nfs/dbraw/zinc/90/80/11/553908011.db2.gz SVCKHYKSUKOCEG-UHFFFAOYSA-N 0 0 509.990 4.943 50 0 KJAARN O=C(c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n(-c1cccc(F)c1)c2=O)N1CCOCC1 ZINC000033077951 553908052 /nfs/dbraw/zinc/90/80/52/553908052.db2.gz UJUQIELSNYFEHB-UHFFFAOYSA-N 0 0 509.990 4.943 50 0 KJAARN O=C(c1ccc2c(c1)nc(SCc1cccc(Cl)c1)n(-c1cccc(F)c1)c2=O)N1CCOCC1 ZINC000033077953 553908088 /nfs/dbraw/zinc/90/80/88/553908088.db2.gz NDDCMNWONXYULJ-UHFFFAOYSA-N 0 0 509.990 4.943 50 0 KJAARN Cc1ccc(C)c(CSc2nc3cc(C(=O)N4CCOCC4)ccc3c(=O)n2-c2cccc(F)c2)c1 ZINC000033077958 553908095 /nfs/dbraw/zinc/90/80/95/553908095.db2.gz RZJCLIZDFAPMHL-UHFFFAOYSA-N 0 0 503.599 4.906 50 0 KJAARN Cc1cc(C)cc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2ccccc2F)c1 ZINC000033078006 553908277 /nfs/dbraw/zinc/90/82/77/553908277.db2.gz UDNAMWVLQQKWSM-UHFFFAOYSA-N 0 0 503.599 4.906 50 0 KJAARN Cc1cc(C)cc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2cccc(F)c2)c1 ZINC000033078007 553908318 /nfs/dbraw/zinc/90/83/18/553908318.db2.gz DRMWKDQZWUXFLG-UHFFFAOYSA-N 0 0 503.599 4.906 50 0 KJAARN COc1cccc(CSc2nc3cc(C(=O)N4CCOCC4)ccc3c(=O)n2-c2cc(C)cc(C)c2)c1 ZINC000033078011 553908290 /nfs/dbraw/zinc/90/82/90/553908290.db2.gz NZXJAUSDPGFUGA-UHFFFAOYSA-N 0 0 515.635 4.776 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2ccccc2Cl)cc1 ZINC000033078040 553908266 /nfs/dbraw/zinc/90/82/66/553908266.db2.gz OPODCORXSSEOQT-UHFFFAOYSA-N 0 0 522.026 4.812 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000033078041 553908322 /nfs/dbraw/zinc/90/83/22/553908322.db2.gz JPJAKEPSQQTYDN-UHFFFAOYSA-N 0 0 522.026 4.812 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2cccc(Cl)c2)cc1 ZINC000033078042 553908325 /nfs/dbraw/zinc/90/83/25/553908325.db2.gz KOPVWZJYGLNMJZ-UHFFFAOYSA-N 0 0 522.026 4.812 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2cc(C)ccc2C)cc1 ZINC000033078047 553908546 /nfs/dbraw/zinc/90/85/46/553908546.db2.gz HMSZOXDWOZRYEL-UHFFFAOYSA-N 0 0 515.635 4.776 50 0 KJAARN COc1cccc(CSc2nc3cc(C(=O)N4CCCC4)ccc3c(=O)n2-c2cccc(OC)c2)c1 ZINC000033078071 553908577 /nfs/dbraw/zinc/90/85/77/553908577.db2.gz HMCGIBJUTZPCKC-UHFFFAOYSA-N 0 0 501.608 4.931 50 0 KJAARN COc1cccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2ccccc2Cl)c1 ZINC000033078085 553908598 /nfs/dbraw/zinc/90/85/98/553908598.db2.gz CROXPTSEKIHZTF-UHFFFAOYSA-N 0 0 522.026 4.812 50 0 KJAARN COc1cccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2ccc(Cl)cc2)c1 ZINC000033078086 553908593 /nfs/dbraw/zinc/90/85/93/553908593.db2.gz VAYWEAXJHGBRFJ-UHFFFAOYSA-N 0 0 522.026 4.812 50 0 KJAARN COc1cccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2cccc(Cl)c2)c1 ZINC000033078087 553908551 /nfs/dbraw/zinc/90/85/51/553908551.db2.gz JYWDACXSIHWRNK-UHFFFAOYSA-N 0 0 522.026 4.812 50 0 KJAARN COc1cccc(-n2c(=O)c3ccc(C(=O)N4CCOCC4)cc3nc2SCc2cc(C)ccc2C)c1 ZINC000033078092 553908588 /nfs/dbraw/zinc/90/85/88/553908588.db2.gz IAJKHVWPDQDVPL-UHFFFAOYSA-N 0 0 515.635 4.776 50 0 KJAARN C=Cc1ccc(CSc2nc3cc(C(=O)N4CCOCC4)ccc3c(=O)n2-c2cccc(OC)c2)cc1 ZINC000033078094 553908744 /nfs/dbraw/zinc/90/87/44/553908744.db2.gz KEEQULXCBJTYRF-UHFFFAOYSA-N 0 0 513.619 4.802 50 0 KJAARN CCOC(=O)c1c2ccc(Br)c(OCC(=O)N3CCCC[C@@H]3CC)c2sc1NC(C)=O ZINC000033113655 553910774 /nfs/dbraw/zinc/91/07/74/553910774.db2.gz ZBIWVRFWUYIPLB-AWEZNQCLSA-N 0 0 511.438 4.969 50 0 KJAARN CCOC(=O)c1c2ccc(Br)c(OCC(=O)N3CCCC[C@H]3CC)c2sc1NC(C)=O ZINC000033113656 553910840 /nfs/dbraw/zinc/91/08/40/553910840.db2.gz ZBIWVRFWUYIPLB-CQSZACIVSA-N 0 0 511.438 4.969 50 0 KJAARN CCOC(=O)c1c2ccc(Br)c(OCC(=O)N(C)c3ccccc3)c2sc1NC(C)=O ZINC000033113658 553910849 /nfs/dbraw/zinc/91/08/49/553910849.db2.gz ADMBZNOHHDUZHG-UHFFFAOYSA-N 0 0 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CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1 ZINC000033255588 553914584 /nfs/dbraw/zinc/91/45/84/553914584.db2.gz MDVWWHPCJQXEPK-HSZRJFAPSA-N 0 0 506.672 4.998 50 0 KJAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1 ZINC000033255589 553914572 /nfs/dbraw/zinc/91/45/72/553914572.db2.gz MDVWWHPCJQXEPK-QHCPKHFHSA-N 0 0 506.672 4.998 50 0 KJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)cc1 ZINC000033255628 553914637 /nfs/dbraw/zinc/91/46/37/553914637.db2.gz ZLMUZDYMVANZIS-HSZRJFAPSA-N 0 0 506.672 4.827 50 0 KJAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)cc1 ZINC000033255629 553914625 /nfs/dbraw/zinc/91/46/25/553914625.db2.gz ZLMUZDYMVANZIS-QHCPKHFHSA-N 0 0 506.672 4.827 50 0 KJAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)cc1 ZINC000033255642 553914876 /nfs/dbraw/zinc/91/48/76/553914876.db2.gz TYYUJIAYSYXBPX-JOCHJYFZSA-N 0 0 522.671 4.663 50 0 KJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)cc1 ZINC000033255643 553914879 /nfs/dbraw/zinc/91/48/79/553914879.db2.gz TYYUJIAYSYXBPX-QFIPXVFZSA-N 0 0 522.671 4.663 50 0 KJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c(C)c1 ZINC000033255648 553914887 /nfs/dbraw/zinc/91/48/87/553914887.db2.gz BCHQPVHCIRAZKN-HSZRJFAPSA-N 0 0 506.672 4.881 50 0 KJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c(C)c1 ZINC000033255649 553914858 /nfs/dbraw/zinc/91/48/58/553914858.db2.gz BCHQPVHCIRAZKN-QHCPKHFHSA-N 0 0 506.672 4.881 50 0 KJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)cc1C ZINC000033255654 553914832 /nfs/dbraw/zinc/91/48/32/553914832.db2.gz DNHVKSLHRKGLPU-HSZRJFAPSA-N 0 0 506.672 4.881 50 0 KJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)cc1C ZINC000033255655 553914843 /nfs/dbraw/zinc/91/48/43/553914843.db2.gz DNHVKSLHRKGLPU-QHCPKHFHSA-N 0 0 506.672 4.881 50 0 KJAARN CCOc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255670 553914853 /nfs/dbraw/zinc/91/48/53/553914853.db2.gz YXRMDZDECSJMEW-JOCHJYFZSA-N 0 0 522.671 4.663 50 0 KJAARN CCOc1ccccc1NC(=O)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255671 553914895 /nfs/dbraw/zinc/91/48/95/553914895.db2.gz YXRMDZDECSJMEW-QFIPXVFZSA-N 0 0 522.671 4.663 50 0 KJAARN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255672 553914904 /nfs/dbraw/zinc/91/49/04/553914904.db2.gz JOFLDSZGBIBJRB-OAQYLSRUSA-N 0 0 510.635 4.712 50 0 KJAARN Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255673 553914855 /nfs/dbraw/zinc/91/48/55/553914855.db2.gz JOFLDSZGBIBJRB-NRFANRHFSA-N 0 0 510.635 4.712 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CCCn1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O ZINC000033261387 553916300 /nfs/dbraw/zinc/91/63/00/553916300.db2.gz DMUMIQJHHKMLLZ-UHFFFAOYSA-N 0 0 516.989 4.762 50 0 KJAARN Cc1nn(CCCC(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033261388 553916356 /nfs/dbraw/zinc/91/63/56/553916356.db2.gz QSKPRNIVDMYIJL-QFIPXVFZSA-N 0 0 508.626 4.599 50 0 KJAARN Cc1nn(CCCC(=O)N[C@H](C)CCc2ccccc2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033261389 553916170 /nfs/dbraw/zinc/91/61/70/553916170.db2.gz QSKPRNIVDMYIJL-JOCHJYFZSA-N 0 0 508.626 4.599 50 0 KJAARN O=C(CSc1nc2cc(-c3ccccc3)[nH]c2c(=O)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000033262544 553916201 /nfs/dbraw/zinc/91/62/01/553916201.db2.gz GFKXBMYAASOLSX-UHFFFAOYSA-N 0 0 510.575 4.899 50 0 KJAARN CCOCCCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000033265411 553916943 /nfs/dbraw/zinc/91/69/43/553916943.db2.gz CUGKVWAFPVYZQY-JOCHJYFZSA-N 0 0 505.562 4.920 50 0 KJAARN CCOCCCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1cccc(C(F)(F)F)c1 ZINC000033265412 553916892 /nfs/dbraw/zinc/91/68/92/553916892.db2.gz CUGKVWAFPVYZQY-QFIPXVFZSA-N 0 0 505.562 4.920 50 0 KJAARN COc1ccc(CCNC(=O)C2CCN(c3nccn4nc(-c5ccc(C)cc5C)cc34)CC2)cc1OC ZINC000033266570 553917290 /nfs/dbraw/zinc/91/72/90/553917290.db2.gz SOQASJYWWKYOQO-UHFFFAOYSA-N 0 0 513.642 4.606 50 0 KJAARN COc1ccccc1N1CCN(C(=O)C2CCN(c3nccn4nc(-c5ccc(C)cc5C)cc34)CC2)CC1 ZINC000033266571 553917316 /nfs/dbraw/zinc/91/73/16/553917316.db2.gz WTQWKTQUJUXJGV-UHFFFAOYSA-N 0 0 524.669 4.587 50 0 KJAARN COc1ccc(CCNC(=O)C2CCN(c3nccn4nc(-c5cc(C)ccc5C)cc34)CC2)cc1OC ZINC000033266586 553917328 /nfs/dbraw/zinc/91/73/28/553917328.db2.gz WGLQEJGNRKZSNG-UHFFFAOYSA-N 0 0 513.642 4.606 50 0 KJAARN CCCCOc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccc6c(c5)OCO6)CC4)nccn3n2)cc1 ZINC000033266608 553917259 /nfs/dbraw/zinc/91/72/59/553917259.db2.gz IHUNTTGHMLMLOI-UHFFFAOYSA-N 0 0 527.625 4.837 50 0 KJAARN CCOC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000033266774 553917275 /nfs/dbraw/zinc/91/72/75/553917275.db2.gz MKYDBNBORMTWDH-VWLOTQADSA-N 0 0 503.990 4.803 50 0 KJAARN CCOC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000033266775 553917237 /nfs/dbraw/zinc/91/72/37/553917237.db2.gz MKYDBNBORMTWDH-RUZDIDTESA-N 0 0 503.990 4.803 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000033266788 553917295 /nfs/dbraw/zinc/91/72/95/553917295.db2.gz VWXZWEQBLMHBQZ-MHZLTWQESA-N 0 0 515.589 4.932 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000033266789 553917308 /nfs/dbraw/zinc/91/73/08/553917308.db2.gz VWXZWEQBLMHBQZ-HHHXNRCGSA-N 0 0 515.589 4.932 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000033266828 553917489 /nfs/dbraw/zinc/91/74/89/553917489.db2.gz ANHPKZCACWPPTR-SANMLTNESA-N 0 0 501.562 4.678 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000033266829 553917512 /nfs/dbraw/zinc/91/75/12/553917512.db2.gz ANHPKZCACWPPTR-AREMUKBSSA-N 0 0 501.562 4.678 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(OC)cc1 ZINC000033267002 553918385 /nfs/dbraw/zinc/91/83/85/553918385.db2.gz WWILRBHTKXTTSS-MHZLTWQESA-N 0 0 513.598 4.548 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(OC)cc1 ZINC000033267003 553918379 /nfs/dbraw/zinc/91/83/79/553918379.db2.gz WWILRBHTKXTTSS-HHHXNRCGSA-N 0 0 513.598 4.548 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1cccc(F)c1 ZINC000033267018 553918419 /nfs/dbraw/zinc/91/84/19/553918419.db2.gz RORUEDCQRKHMCY-MHZLTWQESA-N 0 0 515.589 4.932 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1cccc(F)c1 ZINC000033267019 553918440 /nfs/dbraw/zinc/91/84/40/553918440.db2.gz RORUEDCQRKHMCY-HHHXNRCGSA-N 0 0 515.589 4.932 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1cccc(F)c1 ZINC000033267062 553918432 /nfs/dbraw/zinc/91/84/32/553918432.db2.gz MJCGFLITCPUORA-SANMLTNESA-N 0 0 501.562 4.678 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1cccc(F)c1 ZINC000033267063 553918450 /nfs/dbraw/zinc/91/84/50/553918450.db2.gz MJCGFLITCPUORA-AREMUKBSSA-N 0 0 501.562 4.678 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1cccc(OC)c1 ZINC000033267160 553919001 /nfs/dbraw/zinc/91/90/01/553919001.db2.gz YZRWICPZXWDMBI-MHZLTWQESA-N 0 0 513.598 4.548 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1cccc(OC)c1 ZINC000033267161 553919054 /nfs/dbraw/zinc/91/90/54/553919054.db2.gz YZRWICPZXWDMBI-HHHXNRCGSA-N 0 0 513.598 4.548 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1cccc(OC)c1 ZINC000033267174 553919065 /nfs/dbraw/zinc/91/90/65/553919065.db2.gz JIULMRQXLHRPGI-NDEPHWFRSA-N 0 0 527.625 4.802 50 0 KJAARN CCOC(=O)CCNC(=O)N1Cc2c(CC)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1cccc(OC)c1 ZINC000033267175 553919080 /nfs/dbraw/zinc/91/90/80/553919080.db2.gz JIULMRQXLHRPGI-MUUNZHRXSA-N 0 0 527.625 4.802 50 0 KJAARN Cc1cc2nc(CSc3nc4ccc(NC(=O)Nc5ccc6c(c5)OCO6)cc4s3)cc(=O)n2o1 ZINC000033267270 553919308 /nfs/dbraw/zinc/91/93/08/553919308.db2.gz AJIQNYZXWDGHAF-UHFFFAOYSA-N 0 0 507.553 4.871 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(-c3ccc(C)cc3)nsc2c(=O)n1CC ZINC000033268100 553919419 /nfs/dbraw/zinc/91/94/19/553919419.db2.gz RFAAQEPEHIMQLS-UHFFFAOYSA-N 0 0 508.625 4.756 50 0 KJAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(F)cc1Cl)c(-c1ccccc1)cn2C ZINC000033273952 553919656 /nfs/dbraw/zinc/91/96/56/553919656.db2.gz RBSGULXOSBGRRK-UHFFFAOYSA-N 0 0 500.983 4.572 50 0 KJAARN COc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3CCC(C)C)OCO5)n2)cc1OC ZINC000033279805 553920014 /nfs/dbraw/zinc/92/00/14/553920014.db2.gz OXSKMVMAFCKPOP-UHFFFAOYSA-N 0 0 510.572 4.531 50 0 KJAARN COc1cc(OC)cc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3CCC(C)C)OCO5)n2)c1 ZINC000033279806 553920021 /nfs/dbraw/zinc/92/00/21/553920021.db2.gz OYEDVHIDOOSIBT-UHFFFAOYSA-N 0 0 510.572 4.531 50 0 KJAARN COc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3CCC(C)C)OCO5)n2)c(OC)c1 ZINC000033279807 553919961 /nfs/dbraw/zinc/91/99/61/553919961.db2.gz VZXYGNYHZOYGLQ-UHFFFAOYSA-N 0 0 510.572 4.531 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1 ZINC000033284063 553920046 /nfs/dbraw/zinc/92/00/46/553920046.db2.gz NTFDSCIVMLFLNM-UHFFFAOYSA-N 0 0 507.884 4.992 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)Nc3cc(F)ccc3F)c2n1 ZINC000033284064 553920068 /nfs/dbraw/zinc/92/00/68/553920068.db2.gz BCHDBTLGDSETHN-UHFFFAOYSA-N 0 0 507.884 4.992 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)Nc3c(F)cccc3F)c2n1 ZINC000033284065 553919967 /nfs/dbraw/zinc/91/99/67/553919967.db2.gz TYIZISSCPXTTAC-UHFFFAOYSA-N 0 0 507.884 4.992 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4cccc(F)c4)no3)cn(CC(=O)Nc3ccc(Cl)cc3F)c2n1 ZINC000033284132 553920370 /nfs/dbraw/zinc/92/03/70/553920370.db2.gz NLOQMSCBRRNJKY-UHFFFAOYSA-N 0 0 507.884 4.992 50 0 KJAARN CCc1cccc(C)c1NC(=O)Cn1cc(-c2nc(-c3ccc(OC)cc3)no2)c(=O)c2ccc(C)nc21 ZINC000033284141 553920410 /nfs/dbraw/zinc/92/04/10/553920410.db2.gz SRZSNSRTFANHJC-UHFFFAOYSA-N 0 0 509.566 4.940 50 0 KJAARN COc1ccc(-c2noc(-c3cn(CC(=O)Nc4ccc(Cl)cc4)c4nc(C)ccc4c3=O)n2)cc1 ZINC000033284144 553920310 /nfs/dbraw/zinc/92/03/10/553920310.db2.gz NNIAJLAESDIUNO-UHFFFAOYSA-N 0 0 501.930 4.723 50 0 KJAARN O=C(CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn21)Nc1ccc(Br)cc1 ZINC000033284415 553920306 /nfs/dbraw/zinc/92/03/06/553920306.db2.gz IMNIDMDKYTVCSS-UHFFFAOYSA-N 0 0 500.353 4.614 50 0 KJAARN O=C(CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn21)Nc1cccc(Br)c1 ZINC000033284446 553920414 /nfs/dbraw/zinc/92/04/14/553920414.db2.gz WXOLJYJIIPPPAE-UHFFFAOYSA-N 0 0 500.353 4.614 50 0 KJAARN O=C(N/C(=C/c1cccc(F)c1)C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1Br ZINC000033334513 553921614 /nfs/dbraw/zinc/92/16/14/553921614.db2.gz CXSCDSLFMKJFLX-HKOYGPOVSA-N 0 0 508.391 4.708 50 0 KJAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(-c4ccncc4)nn3c2=O)ccc1OC(C)C ZINC000033334865 553921622 /nfs/dbraw/zinc/92/16/22/553921622.db2.gz PWMXWGSLUJEDGJ-PCLIKHOPSA-N 0 0 520.618 4.709 50 0 KJAARN O=C(N/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N1CCOCC1)c1ccccc1 ZINC000033340278 1067209384 /nfs/dbraw/zinc/20/93/84/1067209384.db2.gz VJLMDMLJXXPTIO-LGUFXXKBSA-N 0 0 512.997 4.822 50 0 KJAARN Cc1ccc(NC(=O)COc2ccc(/C=C3\NC(=O)N(c4ccccc4)C3=O)cc2Br)cc1 ZINC000033348189 553922166 /nfs/dbraw/zinc/92/21/66/553922166.db2.gz YLCXCGFTJRKTFB-STZFKDTASA-N 0 0 506.356 4.872 50 0 KJAARN COc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC(C)C ZINC000033348710 553922101 /nfs/dbraw/zinc/92/21/01/553922101.db2.gz XVHZVLSXOBNOKG-PXNMLYILSA-N 0 0 512.731 4.838 50 0 KJAARN O=C(CCCC(=O)Nc1ccc(I)cc1)Nc1ccc(I)cc1 ZINC000033353033 553922920 /nfs/dbraw/zinc/92/29/20/553922920.db2.gz XZPMLUJNYDEITJ-UHFFFAOYSA-N 0 0 534.135 4.643 50 0 KJAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCN([C@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000033353084 553923136 /nfs/dbraw/zinc/92/31/36/553923136.db2.gz ZVRAXCMAEROXPS-AQOUDTPCSA-N 0 0 632.852 4.660 50 0 KJAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCN([C@@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000033353085 553923035 /nfs/dbraw/zinc/92/30/35/553923035.db2.gz ZVRAXCMAEROXPS-HEVIKAOCSA-N 0 0 632.852 4.660 50 0 KJAARN Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCN([C@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000033353086 553923075 /nfs/dbraw/zinc/92/30/75/553923075.db2.gz ZVRAXCMAEROXPS-KKLWWLSJSA-N 0 0 632.852 4.660 50 0 KJAARN CCOC(=O)c1c(C=O)oc2c1c(Br)c(OC(=O)c1cc(OC)c(OC)c(OC)c1)cc2C ZINC000033353087 553923056 /nfs/dbraw/zinc/92/30/56/553923056.db2.gz UBXSZIDLVAKLQP-UHFFFAOYSA-N 0 0 521.316 4.738 50 0 KJAARN CCOC(=O)c1c(C=O)oc2c1c(Br)c(OC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)cc2C ZINC000033353089 553923163 /nfs/dbraw/zinc/92/31/63/553923163.db2.gz OLPOLIPWZHTYNB-UHFFFAOYSA-N 0 0 578.437 4.887 50 0 KJAARN C=CS(=O)(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c(OC)c1 ZINC000033353131 553923084 /nfs/dbraw/zinc/92/30/84/553923084.db2.gz FERTZPIHTVPQBJ-QGZVFWFLSA-N 0 0 601.759 4.788 50 0 KJAARN C=CS(=O)(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c(OC)c1 ZINC000033353132 553923091 /nfs/dbraw/zinc/92/30/91/553923091.db2.gz FERTZPIHTVPQBJ-KRWDZBQOSA-N 0 0 601.759 4.788 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000033353295 553924223 /nfs/dbraw/zinc/92/42/23/553924223.db2.gz VPVVULMDDYHICC-VVNKCDPRSA-N 0 0 593.455 4.550 50 0 KJAARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc(I)ccc1I ZINC000033353396 553925101 /nfs/dbraw/zinc/92/51/01/553925101.db2.gz HEYKQXIZLIKFRZ-UHFFFAOYSA-N 0 0 566.140 4.882 50 0 KJAARN Cc1c(Cl)c(C)c(C2=NON3N(C(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)c4ccccc4N23)c(C)c1Cl ZINC000033353441 553925117 /nfs/dbraw/zinc/92/51/17/553925117.db2.gz RNTCNWQQHACSRJ-UHFFFAOYSA-N 0 0 602.500 4.845 50 0 KJAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1 ZINC000033353503 553925628 /nfs/dbraw/zinc/92/56/28/553925628.db2.gz ONPLYRBMIZICHM-UHFFFAOYSA-N 0 0 540.727 4.773 50 0 KJAARN O=C(Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000033353532 553925619 /nfs/dbraw/zinc/92/56/19/553925619.db2.gz IYVBVELTYZUPKZ-UHFFFAOYSA-N 0 0 610.758 4.540 50 0 KJAARN O=C(Nc1ccncc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000033353544 553925878 /nfs/dbraw/zinc/92/58/78/553925878.db2.gz HLLMRQCQVUIWAB-UHFFFAOYSA-N 0 0 639.800 4.716 50 0 KJAARN CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000033353617 553926184 /nfs/dbraw/zinc/92/61/84/553926184.db2.gz AMMWBZTVAROQLG-UHFFFAOYSA-N 0 0 547.656 4.945 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc(C(=O)N4CCCCC4)cc3)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000033353716 553926740 /nfs/dbraw/zinc/92/67/40/553926740.db2.gz OYXKPSQIXHTXLQ-UHFFFAOYSA-N 0 0 584.746 4.911 50 0 KJAARN CCOC(=O)CSc1nc2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc2s1 ZINC000033353845 553927256 /nfs/dbraw/zinc/92/72/56/553927256.db2.gz JMVGSOKETWGKDV-UHFFFAOYSA-N 0 0 560.748 4.870 50 0 KJAARN O=C(CSc1ccccn1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CSc3ccccn3)cc2)cc1 ZINC000033353855 553927273 /nfs/dbraw/zinc/92/72/73/553927273.db2.gz WVHMLAUBXWOZIF-UHFFFAOYSA-N 0 0 550.687 4.771 50 0 KJAARN COc1ccc([C@@H]2N(C(=O)c3c(SC)nsc3SC)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033354134 553928388 /nfs/dbraw/zinc/92/83/88/553928388.db2.gz GNMAGRRMXYVRJJ-OAQYLSRUSA-N 0 0 535.738 4.749 50 0 KJAARN COc1ccc([C@H]2N(C(=O)c3c(SC)nsc3SC)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033354138 553928485 /nfs/dbraw/zinc/92/84/85/553928485.db2.gz GNMAGRRMXYVRJJ-NRFANRHFSA-N 0 0 535.738 4.749 50 0 KJAARN Cc1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000033354144 553928524 /nfs/dbraw/zinc/92/85/24/553928524.db2.gz JXCGKMDSZNHBOR-UHFFFAOYSA-N 0 0 545.448 4.625 50 0 KJAARN CCOC(=O)c1nnn(CC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000033354325 553929142 /nfs/dbraw/zinc/92/91/42/553929142.db2.gz OTPJPMUYXVMECL-DOIRFBFMSA-N 0 0 577.588 4.733 50 0 KJAARN CCOC(=O)c1nnn(CC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)c1C(=O)OCC ZINC000033354336 553929234 /nfs/dbraw/zinc/92/92/34/553929234.db2.gz OTPJPMUYXVMECL-JJXVHHRUSA-N 0 0 577.588 4.733 50 0 KJAARN COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000033354590 553930228 /nfs/dbraw/zinc/93/02/28/553930228.db2.gz SILMJFOEWMLHOA-ZMOGYAJESA-N 0 0 569.561 4.998 50 0 KJAARN O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033354726 553931243 /nfs/dbraw/zinc/93/12/43/553931243.db2.gz ODAGPMYWVLJKSI-UHFFFAOYSA-N 0 0 632.764 4.913 50 0 KJAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCCNC(=O)OCc1ccccc1 ZINC000033354768 553931251 /nfs/dbraw/zinc/93/12/51/553931251.db2.gz OQLKPUPGOFWOCX-MHZLTWQESA-N 0 0 568.468 4.946 50 0 KJAARN COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCCNC(=O)OCc1ccccc1 ZINC000033354771 553931186 /nfs/dbraw/zinc/93/11/86/553931186.db2.gz OQLKPUPGOFWOCX-HHHXNRCGSA-N 0 0 568.468 4.946 50 0 KJAARN Cc1c(CCNC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c3ccccc3c2=O)c2ccccc2n1C ZINC000033354835 553931602 /nfs/dbraw/zinc/93/16/02/553931602.db2.gz VSILYUGWCLYFCD-UHFFFAOYSA-N 0 0 611.768 4.706 50 0 biogenic,in-vitro KJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2cccc(OC)c2)cc1 ZINC000033354897 553931839 /nfs/dbraw/zinc/93/18/39/553931839.db2.gz RUMXHEJKZGJGHM-DEOSSOPVSA-N 0 0 567.067 4.813 50 0 KJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2cccc(OC)c2)cc1 ZINC000033354899 553931914 /nfs/dbraw/zinc/93/19/14/553931914.db2.gz RUMXHEJKZGJGHM-XMMPIXPASA-N 0 0 567.067 4.813 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(N4CCCC4=O)cc3)C2=S)cc1 ZINC000033354973 553932629 /nfs/dbraw/zinc/93/26/29/553932629.db2.gz FIKLYVGOKAUVSO-AREMUKBSSA-N 0 0 588.661 4.660 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(N4CCCC4=O)cc3)C2=S)cc1 ZINC000033354974 553932601 /nfs/dbraw/zinc/93/26/01/553932601.db2.gz FIKLYVGOKAUVSO-SANMLTNESA-N 0 0 588.661 4.660 50 0 KJAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000033355448 553934973 /nfs/dbraw/zinc/93/49/73/553934973.db2.gz LKZRDRYLZOGMIT-UHFFFAOYSA-N 0 0 583.754 4.862 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000033355564 553935574 /nfs/dbraw/zinc/93/55/74/553935574.db2.gz UCONGVVDJPRSMF-QHCPKHFHSA-N 0 0 582.078 4.717 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000033355566 553935533 /nfs/dbraw/zinc/93/55/33/553935533.db2.gz UCONGVVDJPRSMF-HSZRJFAPSA-N 0 0 582.078 4.717 50 0 KJAARN CCOC(=O)Cc1cnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n2)s1 ZINC000033355660 553936144 /nfs/dbraw/zinc/93/61/44/553936144.db2.gz FSXWAIOIAFXHDT-UHFFFAOYSA-N 0 0 551.650 4.516 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccn3)s2)cc1 ZINC000033355663 553936051 /nfs/dbraw/zinc/93/60/51/553936051.db2.gz KWEHZEMFTGEFEM-UHFFFAOYSA-N 0 0 520.057 4.778 50 0 KJAARN COc1cc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc(OC)c1OC ZINC000033355666 553936184 /nfs/dbraw/zinc/93/61/84/553936184.db2.gz GFNANWOKEHDQFD-NBGIEHNGSA-N 0 0 580.769 4.703 50 0 KJAARN COc1cc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc(OC)c1OC ZINC000033355667 553936065 /nfs/dbraw/zinc/93/60/65/553936065.db2.gz GFNANWOKEHDQFD-CPJSRVTESA-N 0 0 580.769 4.703 50 0 KJAARN O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000033355670 553936181 /nfs/dbraw/zinc/93/61/81/553936181.db2.gz KRAIUPRXDBGXEG-UHFFFAOYSA-N 0 0 531.055 4.803 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c4ccccc4oc3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000033355686 553936146 /nfs/dbraw/zinc/93/61/46/553936146.db2.gz JWAFSGRUVIDXAY-UHFFFAOYSA-N 0 0 600.741 4.739 50 0 KJAARN CCOc1ccc(-c2cc(NC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)on2)cc1OCC ZINC000033355738 553936731 /nfs/dbraw/zinc/93/67/31/553936731.db2.gz JFNHOHAKYQCAPL-HXUWFJFHSA-N 0 0 545.644 4.860 50 0 KJAARN CCOc1ccc(-c2cc(NC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)on2)cc1OCC ZINC000033355739 553936751 /nfs/dbraw/zinc/93/67/51/553936751.db2.gz JFNHOHAKYQCAPL-FQEVSTJZSA-N 0 0 545.644 4.860 50 0 KJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 ZINC000033355749 553936767 /nfs/dbraw/zinc/93/67/67/553936767.db2.gz MRVLGGBWQPFNQS-UHFFFAOYSA-N 0 0 530.425 4.712 50 0 KJAARN Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)c2)no1 ZINC000033355775 553937014 /nfs/dbraw/zinc/93/70/14/553937014.db2.gz CDYABRYKVMORON-OAHLLOKOSA-N 0 0 544.939 4.636 50 0 KJAARN Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)c2)no1 ZINC000033355776 553937018 /nfs/dbraw/zinc/93/70/18/553937018.db2.gz CDYABRYKVMORON-HNNXBMFYSA-N 0 0 544.939 4.636 50 0 KJAARN COc1ccc(C(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccccc2)S3(=O)=O)cc1OC ZINC000033355783 553936885 /nfs/dbraw/zinc/93/68/85/553936885.db2.gz RIRRQANAOVWRGK-UHFFFAOYSA-N 0 0 533.631 4.845 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O)c1ccc2c(c1)OCO2 ZINC000033355784 553936989 /nfs/dbraw/zinc/93/69/89/553936989.db2.gz NDXBJHIWNBMOSB-UHFFFAOYSA-N 0 0 535.578 4.695 50 0 KJAARN COc1ccccc1N1CCN(C(=O)C2CCN(c3ccc(-c4ccc(Br)s4)nn3)CC2)CC1 ZINC000033355786 553936963 /nfs/dbraw/zinc/93/69/63/553936963.db2.gz URHOTQYCJBWWKF-UHFFFAOYSA-N 0 0 542.503 4.541 50 0 KJAARN CC(=O)N(C[C@H]1OC(c2ccc(Cl)cc2Cl)=NN1C(C)=O)c1ccc(I)cc1C ZINC000033355853 553937584 /nfs/dbraw/zinc/93/75/84/553937584.db2.gz XNUAMYYAPVXVCB-LJQANCHMSA-N 0 0 546.192 4.826 50 0 KJAARN CC(=O)N(C[C@@H]1OC(c2ccc(Cl)cc2Cl)=NN1C(C)=O)c1ccc(I)cc1C ZINC000033355854 553937602 /nfs/dbraw/zinc/93/76/02/553937602.db2.gz XNUAMYYAPVXVCB-IBGZPJMESA-N 0 0 546.192 4.826 50 0 KJAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000033355879 553937958 /nfs/dbraw/zinc/93/79/58/553937958.db2.gz LJPFUSVZALODIC-QFIPXVFZSA-N 0 0 526.647 4.949 50 0 KJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000033355880 553937985 /nfs/dbraw/zinc/93/79/85/553937985.db2.gz LJPFUSVZALODIC-JOCHJYFZSA-N 0 0 526.647 4.949 50 0 KJAARN O=C(NCCOc1ccc(-c2ccccc2)nn1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000033355883 553937834 /nfs/dbraw/zinc/93/78/34/553937834.db2.gz WBMHDLBDJBUSAD-UHFFFAOYSA-N 0 0 545.187 4.584 50 0 KJAARN COC(=O)[C@@H](NC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1)C12CC3CC(CC(C3)C1)C2 ZINC000033355901 553937885 /nfs/dbraw/zinc/93/78/85/553937885.db2.gz LUGHIQLGYMZJBX-PWZBTASGSA-N 0 0 542.558 4.912 50 0 biogenic KJAARN COC(=O)[C@H](NC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1)C12CC3CC(CC(C3)C1)C2 ZINC000033355902 553937918 /nfs/dbraw/zinc/93/79/18/553937918.db2.gz LUGHIQLGYMZJBX-DLYMFDEZSA-N 0 0 542.558 4.912 50 0 biogenic KJAARN O=C(Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000033355905 553938007 /nfs/dbraw/zinc/93/80/07/553938007.db2.gz PXWZWKCKEUUHNM-BKXWLNCVSA-N 0 0 565.541 4.995 50 0 biogenic KJAARN COc1cc(-c2nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3nc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000033356013 553938297 /nfs/dbraw/zinc/93/82/97/553938297.db2.gz OWNODELCASLYND-NRFANRHFSA-N 0 0 589.645 4.924 50 0 KJAARN COc1cc(-c2nc3ccc(C(=O)NC[C@H]4CCCO4)cc3nc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000033356014 553938200 /nfs/dbraw/zinc/93/82/00/553938200.db2.gz OWNODELCASLYND-OAQYLSRUSA-N 0 0 589.645 4.924 50 0 KJAARN COc1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)CCCC4)c1 ZINC000033356026 553938177 /nfs/dbraw/zinc/93/81/77/553938177.db2.gz QNSRLIDXQRHGRH-UHFFFAOYSA-N 0 0 529.540 4.759 50 0 KJAARN O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CCCC3)cc2)c1=O)c1ccc(Br)cc1 ZINC000033356064 553938518 /nfs/dbraw/zinc/93/85/18/553938518.db2.gz KVSAVKXOODLTJL-UHFFFAOYSA-N 0 0 560.448 4.529 50 0 KJAARN O=C(Cn1c(=O)n(CCCCC(=O)N2CC=C(c3ccccc3)CC2)c(=O)c2ccccc21)c1ccc(F)cc1 ZINC000033356067 553938516 /nfs/dbraw/zinc/93/85/16/553938516.db2.gz MTMWVPKXJOJRKI-UHFFFAOYSA-N 0 0 539.607 4.671 50 0 KJAARN CN(Cc1ccccc1)C(=O)CCCn1c(=O)c2cc(Cl)ccc2n(CC(=O)c2ccc(Cl)cc2)c1=O ZINC000033356078 553938958 /nfs/dbraw/zinc/93/89/58/553938958.db2.gz VPCNXCDKHQNVQH-UHFFFAOYSA-N 0 0 538.431 4.792 50 0 KJAARN Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(Br)cc4F)c3=O)cc2)cc1 ZINC000033356083 553938966 /nfs/dbraw/zinc/93/89/66/553938966.db2.gz YQJKXDSCWSOQHS-UHFFFAOYSA-N 0 0 629.486 4.990 50 0 KJAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c3ccccc32)CC1 ZINC000033356091 553938933 /nfs/dbraw/zinc/93/89/33/553938933.db2.gz UFOGIHCEINQZCP-UHFFFAOYSA-N 0 0 531.634 4.853 50 0 KJAARN CCOc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)sc2c1 ZINC000033356103 553939287 /nfs/dbraw/zinc/93/92/87/553939287.db2.gz MDJSRYWVCHVDBR-UHFFFAOYSA-N 0 0 530.491 4.558 50 0 KJAARN O=C(Nc1ccc(Br)cc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000033356116 553939274 /nfs/dbraw/zinc/93/92/74/553939274.db2.gz PEKWUOMNGFLQKB-MRXNPFEDSA-N 0 0 562.280 4.941 50 0 KJAARN O=C(Nc1ccc(Br)cc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000033356117 553939297 /nfs/dbraw/zinc/93/92/97/553939297.db2.gz PEKWUOMNGFLQKB-INIZCTEOSA-N 0 0 562.280 4.941 50 0 KJAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NCc3ccc4c(c3)OCO4)c1)c1cc(Br)ccc1O2 ZINC000033356239 553939824 /nfs/dbraw/zinc/93/98/24/553939824.db2.gz HVEWQFKGENKEKH-FQRUVTKNSA-N 0 0 536.382 4.877 50 0 KJAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccn4)CC3)c1)c1cc(Br)ccc1O2 ZINC000033356246 553939842 /nfs/dbraw/zinc/93/98/42/553939842.db2.gz HMUGSSJOZZNZSV-AJTFRIOCSA-N 0 0 548.441 4.576 50 0 KJAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)N2C1=O)NCc1ccco1 ZINC000033356257 553940075 /nfs/dbraw/zinc/94/00/75/553940075.db2.gz GRXLWKBCTSTUFB-NRFANRHFSA-N 0 0 569.565 4.725 50 0 KJAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(C(F)(F)F)c3)N2C1=O)NCc1ccco1 ZINC000033356259 553940056 /nfs/dbraw/zinc/94/00/56/553940056.db2.gz GRXLWKBCTSTUFB-OAQYLSRUSA-N 0 0 569.565 4.725 50 0 KJAARN O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1Cl)N2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033356261 553940143 /nfs/dbraw/zinc/94/01/43/553940143.db2.gz KUAWUQCSWUIEBZ-VWLOTQADSA-N 0 0 607.054 4.669 50 0 KJAARN O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccccc1Cl)N2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033356263 553940158 /nfs/dbraw/zinc/94/01/58/553940158.db2.gz KUAWUQCSWUIEBZ-RUZDIDTESA-N 0 0 607.054 4.669 50 0 KJAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3Cl)N2C1=O)NCc1cccs1 ZINC000033356275 553940175 /nfs/dbraw/zinc/94/01/75/553940175.db2.gz ZTUBAJGBDMGPRG-QFIPXVFZSA-N 0 0 566.108 4.506 50 0 KJAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3Cl)N2C1=O)NCc1cccs1 ZINC000033356278 553940063 /nfs/dbraw/zinc/94/00/63/553940063.db2.gz ZTUBAJGBDMGPRG-JOCHJYFZSA-N 0 0 566.108 4.506 50 0 KJAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cc(F)cc4c3OCOC4)N2C1=O)NCc1ccccc1 ZINC000033356284 553940162 /nfs/dbraw/zinc/94/01/62/553940162.db2.gz NYYDECWBUIRMKA-DEOSSOPVSA-N 0 0 544.608 4.681 50 0 KJAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cc(F)cc4c3OCOC4)N2C1=O)NCc1ccccc1 ZINC000033356285 553940269 /nfs/dbraw/zinc/94/02/69/553940269.db2.gz NYYDECWBUIRMKA-XMMPIXPASA-N 0 0 544.608 4.681 50 0 KJAARN CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3C2=O)CC1 ZINC000033356327 553940618 /nfs/dbraw/zinc/94/06/18/553940618.db2.gz HVZQPOOREKLZAV-UHFFFAOYSA-N 0 0 537.576 4.699 50 0 KJAARN COc1ccc(CCN2C(=O)c3sc(-c4ccccc4)nc3OC[C@@]2(C)C(=O)NCc2ccccc2)c(OC)c1OC ZINC000033356333 553940640 /nfs/dbraw/zinc/94/06/40/553940640.db2.gz LVNDNTMTXRDBBA-YTTGMZPUSA-N 0 0 587.698 4.988 50 0 KJAARN COc1ccc(CCN2C(=O)c3sc(-c4ccccc4)nc3OC[C@]2(C)C(=O)NCc2ccccc2)c(OC)c1OC ZINC000033356334 553940662 /nfs/dbraw/zinc/94/06/62/553940662.db2.gz LVNDNTMTXRDBBA-JGCGQSQUSA-N 0 0 587.698 4.988 50 0 KJAARN CCN(C(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn21)c1cccc(C)c1 ZINC000033356339 553940644 /nfs/dbraw/zinc/94/06/44/553940644.db2.gz IDHXELFLVVNYHF-UHFFFAOYSA-N 0 0 559.696 4.804 50 0 KJAARN COc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3F)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC ZINC000033356340 553940665 /nfs/dbraw/zinc/94/06/65/553940665.db2.gz ZTXZTSLMKHAOAG-UHFFFAOYSA-N 0 0 570.050 4.874 50 0 KJAARN COc1ccc(-n2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000033356343 553940614 /nfs/dbraw/zinc/94/06/14/553940614.db2.gz NFGOIYBCLHAEIM-UHFFFAOYSA-N 0 0 561.564 4.867 50 0 KJAARN CCn1cc(C(=O)NCCCSC2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000033356395 553941045 /nfs/dbraw/zinc/94/10/45/553941045.db2.gz DQLOFVWBIYSVQF-UHFFFAOYSA-N 0 0 567.777 4.954 50 0 KJAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000033356401 553941016 /nfs/dbraw/zinc/94/10/16/553941016.db2.gz FDLQGFOZVKDSTC-UHFFFAOYSA-N 0 0 556.899 4.766 50 0 KJAARN CCOC(=O)C[C@@H](NC(=O)CCc1c(C)nc2cc(-c3ccc(OC)cc3OC)nn2c1C)c1cccs1 ZINC000033356462 553941673 /nfs/dbraw/zinc/94/16/73/553941673.db2.gz TWLLOFBKSJVDPK-HSZRJFAPSA-N 0 0 536.654 4.835 50 0 KJAARN CCOC(=O)C[C@H](NC(=O)CCc1c(C)nc2cc(-c3ccc(OC)cc3OC)nn2c1C)c1cccs1 ZINC000033356463 553941706 /nfs/dbraw/zinc/94/17/06/553941706.db2.gz TWLLOFBKSJVDPK-QHCPKHFHSA-N 0 0 536.654 4.835 50 0 KJAARN Cc1c(C2=CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000033356496 553942062 /nfs/dbraw/zinc/94/20/62/553942062.db2.gz NXEFMQQSGNCULD-UHFFFAOYSA-N 0 0 548.528 4.874 50 0 KJAARN CCOC(=O)CSc1nc2sc(C(=O)N3CCc4ccccc4C3)c(C)c2c(=O)n1CCc1ccccc1 ZINC000033356563 553942565 /nfs/dbraw/zinc/94/25/65/553942565.db2.gz PNSQOVAMNOFVGM-UHFFFAOYSA-N 0 0 547.702 4.863 50 0 KJAARN COc1cc([C@@H]2CC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3S2)cc(OC)c1OC ZINC000033356648 553943038 /nfs/dbraw/zinc/94/30/38/553943038.db2.gz FYTUJEGCBBAYSS-VWLOTQADSA-N 0 0 536.606 4.692 50 0 KJAARN COc1cc([C@H]2CC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3S2)cc(OC)c1OC ZINC000033356650 553943089 /nfs/dbraw/zinc/94/30/89/553943089.db2.gz FYTUJEGCBBAYSS-RUZDIDTESA-N 0 0 536.606 4.692 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(C)cc3)n2C)cc1 ZINC000033356657 553943459 /nfs/dbraw/zinc/94/34/59/553943459.db2.gz OQNCBQZBBHNWNP-AREMUKBSSA-N 0 0 665.867 4.616 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(C)cc3)n2C)cc1 ZINC000033356659 553943364 /nfs/dbraw/zinc/94/33/64/553943364.db2.gz OQNCBQZBBHNWNP-SANMLTNESA-N 0 0 665.867 4.616 50 0 KJAARN COc1cccc(-n2cc(C(=O)NCCC(=O)Nc3ccc(Br)cc3C)c3ccccc3c2=O)c1 ZINC000033356696 553943577 /nfs/dbraw/zinc/94/35/77/553943577.db2.gz CBOLOEZFDPSCOL-UHFFFAOYSA-N 0 0 534.410 4.829 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(OC)cc3)c3ccccc23)cc1 ZINC000033356712 553943575 /nfs/dbraw/zinc/94/35/75/553943575.db2.gz YYMFIWXMRQJNBK-UHFFFAOYSA-N 0 0 531.634 4.987 50 0 KJAARN CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3cc4oc(C)cc4n3Cc3c(F)cccc3Cl)CC2)CC1 ZINC000033356713 553943573 /nfs/dbraw/zinc/94/35/73/553943573.db2.gz PIDLQBHOIDDQNF-UHFFFAOYSA-N 0 0 559.038 4.536 50 0 KJAARN C=C1C(N2CCC(C(=O)NCc3ccccc3Br)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000033356732 553943893 /nfs/dbraw/zinc/94/38/93/553943893.db2.gz GNEUQNNWOHMJSM-UHFFFAOYSA-N 0 0 530.488 4.567 50 0 KJAARN Cc1c(C(=O)NCCCN2CCN(c3ccccc3F)CC2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000033356756 553944170 /nfs/dbraw/zinc/94/41/70/553944170.db2.gz VAOKGPMNWUMYTO-UHFFFAOYSA-N 0 0 541.671 4.988 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)cc1OCC ZINC000033356780 553944553 /nfs/dbraw/zinc/94/45/53/553944553.db2.gz GELTYOFSJFQVFG-RRPNLBNLSA-N 0 0 538.666 4.832 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)cc1OCC ZINC000033356782 553944490 /nfs/dbraw/zinc/94/44/90/553944490.db2.gz GELTYOFSJFQVFG-KAYWLYCHSA-N 0 0 538.666 4.832 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)cc1OCC ZINC000033356784 553944571 /nfs/dbraw/zinc/94/45/71/553944571.db2.gz GELTYOFSJFQVFG-SVBPBHIXSA-N 0 0 538.666 4.832 50 0 KJAARN Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000033356785 553944545 /nfs/dbraw/zinc/94/45/45/553944545.db2.gz WVLIKFPNRKOOSN-UHFFFAOYSA-N 0 0 540.628 4.880 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccs2)cc1OCC ZINC000033356786 553944495 /nfs/dbraw/zinc/94/44/95/553944495.db2.gz GELTYOFSJFQVFG-SXOMAYOGSA-N 0 0 538.666 4.832 50 0 KJAARN Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000033356787 553944476 /nfs/dbraw/zinc/94/44/76/553944476.db2.gz LJUGZQQXMYUPTH-UHFFFAOYSA-N 0 0 542.600 4.540 50 0 KJAARN Cc1cc(S(=O)(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc1F ZINC000033356917 553945493 /nfs/dbraw/zinc/94/54/93/553945493.db2.gz TVDYNKPGYAAUIS-RSXGOPAZSA-N 0 0 600.716 4.693 50 0 KJAARN COC(CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1Sc1ccc(Br)cc1)OC ZINC000033356984 553946044 /nfs/dbraw/zinc/94/60/44/553946044.db2.gz XPTKJKNICLITEX-CALCHBBNSA-N 0 0 571.559 4.616 50 0 KJAARN COC(CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Sc1ccc(Br)cc1)OC ZINC000033356987 553946099 /nfs/dbraw/zinc/94/60/99/553946099.db2.gz XPTKJKNICLITEX-IAGOWNOFSA-N 0 0 571.559 4.616 50 0 KJAARN COC(CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Sc1ccc(Br)cc1)OC ZINC000033356990 553946071 /nfs/dbraw/zinc/94/60/71/553946071.db2.gz XPTKJKNICLITEX-IRXDYDNUSA-N 0 0 571.559 4.616 50 0 KJAARN O=C(NCCC1=CCCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000033357114 553946460 /nfs/dbraw/zinc/94/64/60/553946460.db2.gz DUJHBHPXUIAOFI-RSXGOPAZSA-N 0 0 630.767 4.664 50 0 KJAARN Cc1ccc(CNC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000033357118 553946781 /nfs/dbraw/zinc/94/67/81/553946781.db2.gz XSOJPOYXFXMFDU-NOZRDPDXSA-N 0 0 586.689 4.650 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033357127 553946734 /nfs/dbraw/zinc/94/67/34/553946734.db2.gz RZSFMUOKJFNTQP-GGAORHGYSA-N 0 0 633.126 4.585 50 0 KJAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000033357150 553946834 /nfs/dbraw/zinc/94/68/34/553946834.db2.gz LENYHJLWWKWIIR-QHCPKHFHSA-N 0 0 548.503 4.639 50 0 KJAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000033357152 553947106 /nfs/dbraw/zinc/94/71/06/553947106.db2.gz LENYHJLWWKWIIR-HSZRJFAPSA-N 0 0 548.503 4.639 50 0 KJAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000033357216 553947552 /nfs/dbraw/zinc/94/75/52/553947552.db2.gz XDFCTQUSVFYNIQ-WUFINQPMSA-N 0 0 545.611 4.616 50 0 KJAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000033357219 553947493 /nfs/dbraw/zinc/94/74/93/553947493.db2.gz XDFCTQUSVFYNIQ-VSGBNLITSA-N 0 0 545.611 4.616 50 0 KJAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000033357221 553947402 /nfs/dbraw/zinc/94/74/02/553947402.db2.gz XDFCTQUSVFYNIQ-NSOVKSMOSA-N 0 0 545.611 4.616 50 0 KJAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000033357224 553947460 /nfs/dbraw/zinc/94/74/60/553947460.db2.gz XDFCTQUSVFYNIQ-IZLXSDGUSA-N 0 0 545.611 4.616 50 0 KJAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000033357512 553948638 /nfs/dbraw/zinc/94/86/38/553948638.db2.gz KEZUIJYBPLELSV-UHFFFAOYSA-N 0 0 573.458 4.674 50 0 KJAARN CCOc1ccc(-n2c(SCc3cc(C(=O)OC)ccc3OC)nc3sc4c(c3c2=O)CCN(C(C)=O)C4)cc1 ZINC000033357529 553948617 /nfs/dbraw/zinc/94/86/17/553948617.db2.gz XETYLXRFIHJXFH-UHFFFAOYSA-N 0 0 579.700 4.838 50 0 KJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)nc2sc(NCc4ccccc4)nn2c3=O)CC1 ZINC000033357531 553948596 /nfs/dbraw/zinc/94/85/96/553948596.db2.gz MEHPLMKZXRZICV-UHFFFAOYSA-N 0 0 545.068 4.841 50 0 KJAARN Cc1ccc(N2CCN(c3nc4c(S(=O)(=O)c5cccc(Cl)c5)nnn4c4ccsc43)CC2)c(C)c1 ZINC000033357541 553948899 /nfs/dbraw/zinc/94/88/99/553948899.db2.gz FXEGEQIBJXEVIN-UHFFFAOYSA-N 0 0 539.086 4.769 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)Cn1cc(C(=O)c2ccc(Br)cc2)c(=O)c2ccc(C)nc21 ZINC000033357545 553948951 /nfs/dbraw/zinc/94/89/51/553948951.db2.gz HEHMYADHCWVAKM-UHFFFAOYSA-N 0 0 540.801 4.999 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Sc3ccc(Br)cc3)c(C(=O)NCCCN3CCOCC3)c2)C1 ZINC000033357565 553948905 /nfs/dbraw/zinc/94/89/05/553948905.db2.gz CPGYULRSFPEHBZ-NHCUHLMSSA-N 0 0 610.640 4.719 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Sc3ccc(Br)cc3)c(C(=O)NCCCN3CCOCC3)c2)C1 ZINC000033357567 553948901 /nfs/dbraw/zinc/94/89/01/553948901.db2.gz CPGYULRSFPEHBZ-OYRHEFFESA-N 0 0 610.640 4.719 50 0 KJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Sc3ccc(Br)cc3)c(C(=O)NCCCN3CCOCC3)c2)C1 ZINC000033357570 553948959 /nfs/dbraw/zinc/94/89/59/553948959.db2.gz CPGYULRSFPEHBZ-SFTDATJTSA-N 0 0 610.640 4.719 50 0 KJAARN COc1ccc(-c2nc3c(c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)n2)Cc2cccc(OC)c2O3)cc1 ZINC000033357588 553949248 /nfs/dbraw/zinc/94/92/48/553949248.db2.gz AFNLUYPEGFHUNE-UHFFFAOYSA-N 0 0 538.604 4.908 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000033357685 553950008 /nfs/dbraw/zinc/95/00/08/553950008.db2.gz AJCIZVUTOWLZPX-JYFHCDHNSA-N 0 0 558.616 4.610 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000033357686 553950051 /nfs/dbraw/zinc/95/00/51/553950051.db2.gz AJCIZVUTOWLZPX-ZEQKJWHPSA-N 0 0 558.616 4.610 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000033357687 553949909 /nfs/dbraw/zinc/94/99/09/553949909.db2.gz AJCIZVUTOWLZPX-OZXSUGGESA-N 0 0 558.616 4.610 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000033357688 553950384 /nfs/dbraw/zinc/95/03/84/553950384.db2.gz AJCIZVUTOWLZPX-BVAGGSTKSA-N 0 0 558.616 4.610 50 0 KJAARN CCOC(=O)CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Br)cc1 ZINC000033357761 553950701 /nfs/dbraw/zinc/95/07/01/553950701.db2.gz IFCBRWYHVJINHR-UHFFFAOYSA-N 0 0 533.492 4.518 50 0 KJAARN COc1cc(OC)cc(N2C(=O)N(CC(=O)c3ccc(Br)s3)c3ccccc3S2(=O)=O)c1 ZINC000033357779 553950934 /nfs/dbraw/zinc/95/09/34/553950934.db2.gz SRZZFSQLQMKHTC-UHFFFAOYSA-N 0 0 537.413 4.546 50 0 KJAARN O=C(CCCCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(Br)cc1)NC[C@@H]1CCCO1 ZINC000033357802 553950962 /nfs/dbraw/zinc/95/09/62/553950962.db2.gz WOWLYFSHNGZRNM-NRFANRHFSA-N 0 0 572.525 4.990 50 0 KJAARN O=C(CCCCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(Br)cc1)NC[C@H]1CCCO1 ZINC000033357803 553951066 /nfs/dbraw/zinc/95/10/66/553951066.db2.gz WOWLYFSHNGZRNM-OAQYLSRUSA-N 0 0 572.525 4.990 50 0 KJAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CC2CCC(C(=O)NCc3ccccc3Cl)CC2)n[nH]1 ZINC000033357822 553951156 /nfs/dbraw/zinc/95/11/56/553951156.db2.gz WJXWQEVHMOZQFB-UHFFFAOYSA-N 0 0 579.126 4.935 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccccc2Cl)CC1)N1CCCC1 ZINC000033357824 553951109 /nfs/dbraw/zinc/95/11/09/553951109.db2.gz OIXSKGHMICIZOA-UHFFFAOYSA-N 0 0 553.128 4.887 50 0 KJAARN CCOc1ccc(NC(=O)CSc2nc3ccc(Br)cc3c(=O)n2Cc2ccc(C(=O)NCCOC)cc2)cc1 ZINC000033357833 553951082 /nfs/dbraw/zinc/95/10/82/553951082.db2.gz PWBFPLXBLHHCQG-UHFFFAOYSA-N 0 0 625.545 4.713 50 0 KJAARN CCOC(=O)c1cc(CSc2nc3cc(C(=O)NCc4ccco4)ccc3c(=O)n2Cc2ccco2)c2c(c1)COCO2 ZINC000033357839 553951401 /nfs/dbraw/zinc/95/14/01/553951401.db2.gz TYQRNEXYGHTFIO-UHFFFAOYSA-N 0 0 601.637 4.896 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCN(c2cccc(Cl)c2)CC1)NC1CCCCC1 ZINC000033357841 553951376 /nfs/dbraw/zinc/95/13/76/553951376.db2.gz QKTVXHOFTWKVEN-UHFFFAOYSA-N 0 0 554.160 4.803 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCN(c2cccc(Cl)c2)CC1)N1CCCCCC1 ZINC000033357847 553951343 /nfs/dbraw/zinc/95/13/43/553951343.db2.gz SDMVQFUACGIKSW-UHFFFAOYSA-N 0 0 554.160 4.757 50 0 KJAARN O=C(NCCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3nc2SCc2cc(=O)n3ccccc3n2)CC1 ZINC000033357848 553951410 /nfs/dbraw/zinc/95/14/10/553951410.db2.gz XHMAOLQMGOPDGN-UHFFFAOYSA-N 0 0 579.726 4.862 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCCc2ccccc2)CC1)NC1CCCC1 ZINC000033357849 553951368 /nfs/dbraw/zinc/95/13/68/553951368.db2.gz SLQNXZMLBSJJTG-UHFFFAOYSA-N 0 0 546.737 4.713 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1)NCc1ccco1 ZINC000033357850 553951355 /nfs/dbraw/zinc/95/13/55/553951355.db2.gz BGVCIPFPPRYUPA-UHFFFAOYSA-N 0 0 599.757 4.553 50 0 KJAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CC2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)no1 ZINC000033357851 553951373 /nfs/dbraw/zinc/95/13/73/553951373.db2.gz SGSHKQSCVFGDRB-UHFFFAOYSA-N 0 0 600.745 4.579 50 0 KJAARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCc1ccccc1Cl)OCO3)N1CCN(c2ccccc2)CC1 ZINC000033357880 553951629 /nfs/dbraw/zinc/95/16/29/553951629.db2.gz OSJNLRGEBBASSX-UHFFFAOYSA-N 0 0 563.079 4.810 50 0 KJAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc(OC)cc1)OCO3)C(=O)NCc1cccnc1 ZINC000033357887 553951697 /nfs/dbraw/zinc/95/16/97/553951697.db2.gz OCGAAJMPPQUPOX-GDLZYMKVSA-N 0 0 631.755 4.593 50 0 KJAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc(OC)cc1)OCO3)C(=O)NCc1cccnc1 ZINC000033357888 553951680 /nfs/dbraw/zinc/95/16/80/553951680.db2.gz OCGAAJMPPQUPOX-LJAQVGFWSA-N 0 0 631.755 4.593 50 0 KJAARN O=C(CCCCCn1c(=O)c2cc3c(cc2nc1SCc1cc(=O)n2cc(Cl)ccc2n1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000033357889 553951693 /nfs/dbraw/zinc/95/16/93/553951693.db2.gz PBLHTMMSDSPRHW-UHFFFAOYSA-N 0 0 662.124 4.684 50 0 KJAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)Nc1ccc2c(c1)OCO2 ZINC000033357890 553951605 /nfs/dbraw/zinc/95/16/05/553951605.db2.gz VRXCSZKUKMOAPU-SSEXGKCCSA-N 0 0 674.732 4.969 50 0 KJAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)Nc1ccc2c(c1)OCO2 ZINC000033357891 553951676 /nfs/dbraw/zinc/95/16/76/553951676.db2.gz VRXCSZKUKMOAPU-PMERELPUSA-N 0 0 674.732 4.969 50 0 KJAARN O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3)c1ccccc1 ZINC000033357892 553951626 /nfs/dbraw/zinc/95/16/26/553951626.db2.gz ZADZMAVLJDVEOS-UHFFFAOYSA-N 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4.684 50 0 KJAARN CCOC(=O)c1ccc(-n2c3nc(SCC(=O)NCc4ccccc4)n(C[C@@H]4CCCO4)c(=O)c3sc2=S)cc1 ZINC000033357927 553951953 /nfs/dbraw/zinc/95/19/53/553951953.db2.gz ANQBKHPEQPWXDA-NRFANRHFSA-N 0 0 596.756 4.742 50 0 KJAARN CCOC(=O)c1ccc(-n2c3nc(SCC(=O)NCc4ccccc4)n(C[C@H]4CCCO4)c(=O)c3sc2=S)cc1 ZINC000033357928 553951885 /nfs/dbraw/zinc/95/18/85/553951885.db2.gz ANQBKHPEQPWXDA-OAQYLSRUSA-N 0 0 596.756 4.742 50 0 KJAARN CCOc1ccccc1-n1c2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccccc3)c(=O)c2sc1=S ZINC000033357936 553952268 /nfs/dbraw/zinc/95/22/68/553952268.db2.gz SFCKZWNKRATQNZ-SFHVURJKSA-N 0 0 554.719 4.753 50 0 KJAARN CCOc1ccccc1-n1c2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccccc3)c(=O)c2sc1=S ZINC000033357937 553952260 /nfs/dbraw/zinc/95/22/60/553952260.db2.gz SFCKZWNKRATQNZ-GOSISDBHSA-N 0 0 554.719 4.753 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Br)cc2)CC1 ZINC000033357949 553952226 /nfs/dbraw/zinc/95/22/26/553952226.db2.gz FLXMDYAENFNHBQ-UHFFFAOYSA-N 0 0 571.522 4.659 50 0 KJAARN COc1ccc(NC(=O)CCCCCn2c(=O)c3sccc3nc2SCC(=O)Nc2cc(C)on2)cc1 ZINC000033357951 553952222 /nfs/dbraw/zinc/95/22/22/553952222.db2.gz NJJNPFFXGIFTLT-UHFFFAOYSA-N 0 0 541.655 4.693 50 0 KJAARN CCOC(=O)N1CCC(n2c(=O)c3sccc3nc2SCC(=O)c2ccc(Br)cc2)CC1 ZINC000033357952 553952231 /nfs/dbraw/zinc/95/22/31/553952231.db2.gz ANWZPASPLWHHNL-UHFFFAOYSA-N 0 0 536.473 4.989 50 0 KJAARN COc1ccc(CCNc2nc(SCC(=O)N3CCN(c4ccccc4OC)CC3)nc3ccccc32)cc1OC ZINC000033357963 553952462 /nfs/dbraw/zinc/95/24/62/553952462.db2.gz VZRMLHDYKZHFHE-UHFFFAOYSA-N 0 0 573.719 4.751 50 0 KJAARN CCCCCCc1cc2cc(C3=Nn4c(=O)c5c(C)c(C(=O)OC)sc5nc4SC3)c(=O)oc2cc1O ZINC000033357965 553952548 /nfs/dbraw/zinc/95/25/48/553952548.db2.gz ROBWUQCYLGPGGZ-UHFFFAOYSA-N 0 0 539.635 4.846 50 0 KJAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cc(Br)ccc3Cl)n2-c2ccc(F)cc2)s1 ZINC000033357969 553952513 /nfs/dbraw/zinc/95/25/13/553952513.db2.gz RYZMPDRFSACUKL-UHFFFAOYSA-N 0 0 596.895 4.643 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc(Cl)cc3Cl)n1C)CCC2 ZINC000033357982 553952451 /nfs/dbraw/zinc/95/24/51/553952451.db2.gz RPOZALFGGWJDEP-UHFFFAOYSA-N 0 0 568.508 4.510 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cccs3)n1-c1ccc(F)cc1)CCC2 ZINC000033357991 553952502 /nfs/dbraw/zinc/95/25/02/553952502.db2.gz HSTIMHOLXYSBKG-UHFFFAOYSA-N 0 0 585.708 4.856 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccco3)n1-c1ccc(F)cc1)CCCC2 ZINC000033357996 553952729 /nfs/dbraw/zinc/95/27/29/553952729.db2.gz KSTBGLCLPXGXCH-UHFFFAOYSA-N 0 0 583.667 4.777 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C2CCCCC2)c(C(=O)OCC)c1C ZINC000033357997 553952744 /nfs/dbraw/zinc/95/27/44/553952744.db2.gz PDHXJTOIBCFANL-UHFFFAOYSA-N 0 0 603.723 4.760 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1 ZINC000033358016 553952801 /nfs/dbraw/zinc/95/28/01/553952801.db2.gz VUAVIELAKLJLFW-FQEVSTJZSA-N 0 0 572.510 4.865 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1 ZINC000033358017 553952768 /nfs/dbraw/zinc/95/27/68/553952768.db2.gz VUAVIELAKLJLFW-HXUWFJFHSA-N 0 0 572.510 4.865 50 0 KJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@@H](C)O)OCO5)c3N2)cc1OC ZINC000033358085 553952842 /nfs/dbraw/zinc/95/28/42/553952842.db2.gz UNQLKEWKYSJNIF-KGFDFFDMSA-N 0 0 534.491 4.595 50 0 KJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@@H](C)O)OCO5)c3N2)cc1OC ZINC000033358086 553952779 /nfs/dbraw/zinc/95/27/79/553952779.db2.gz UNQLKEWKYSJNIF-JJJFATQHSA-N 0 0 534.491 4.595 50 0 KJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@@H](C)O)OCO5)c3N2)cc1OC ZINC000033358087 553952737 /nfs/dbraw/zinc/95/27/37/553952737.db2.gz UNQLKEWKYSJNIF-CKRFGLGXSA-N 0 0 534.491 4.595 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4ccccn4)cc3s2)cc1 ZINC000033358093 553952783 /nfs/dbraw/zinc/95/27/83/553952783.db2.gz WMRKSFWMZGGQBT-UHFFFAOYSA-N 0 0 524.649 4.940 50 0 KJAARN CC(=O)c1cccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccncc3)c2)c1 ZINC000033358129 553953126 /nfs/dbraw/zinc/95/31/26/553953126.db2.gz LOWSRRRVUMLNTD-BWKNWUBXSA-N 0 0 547.615 4.574 50 0 KJAARN O=C(Cc1c(F)cccc1Cl)Nc1cc(C(=O)N2CCCC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033358134 553953088 /nfs/dbraw/zinc/95/30/88/553953088.db2.gz JYRUYJCWNPNHBV-CTNGQTDRSA-N 0 0 549.046 4.682 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)Cc3c(F)cccc3Cl)c2)CC1 ZINC000033358149 553953051 /nfs/dbraw/zinc/95/30/51/553953051.db2.gz JNQSPLCHVLUBCV-GGAORHGYSA-N 0 0 650.151 4.796 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(N(CC)CC)cc3)c2)CC1 ZINC000033358150 553953363 /nfs/dbraw/zinc/95/33/63/553953363.db2.gz OADOYPVCRMFSGY-NAKRPHOHSA-N 0 0 654.812 4.921 50 0 KJAARN COc1cc(C(=O)Nc2cc(C(=O)Nc3cccc(C)n3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000033358153 553953326 /nfs/dbraw/zinc/95/33/26/553953326.db2.gz GJGMPSPLQSVQOG-QPPBQGQZSA-N 0 0 609.683 4.706 50 0 KJAARN Cc1cccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000033358154 553953373 /nfs/dbraw/zinc/95/33/73/553953373.db2.gz XYUIYAMKLJSGSY-OFNKIYASSA-N 0 0 537.595 4.819 50 0 KJAARN CN(CCc1ccccn1)C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(F)cc2)c1 ZINC000033358168 553953351 /nfs/dbraw/zinc/95/33/51/553953351.db2.gz FPUZLDJSOGPEFC-RDGATRHJSA-N 0 0 565.649 4.573 50 0 KJAARN O=C(Cc1c(F)cccc1Cl)Nc1cc(C(=O)NCc2ccco2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033358172 553953288 /nfs/dbraw/zinc/95/32/88/553953288.db2.gz DOPMCPYSZHOGFZ-CTNGQTDRSA-N 0 0 575.040 4.969 50 0 KJAARN O=S(=O)(NC1CCCCCC1)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)c1 ZINC000033358182 553953340 /nfs/dbraw/zinc/95/33/40/553953340.db2.gz UTRBEHQOQRMQCA-UHFFFAOYSA-N 0 0 568.783 4.522 50 0 KJAARN COc1ccccc1C(=O)OCCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000033358277 553954278 /nfs/dbraw/zinc/95/42/78/553954278.db2.gz IXBHXIMYVGMFEG-UHFFFAOYSA-N 0 0 605.694 4.617 50 0 KJAARN COC(=O)c1ccc(NC(=O)c2cc(Br)cc(Br)c2I)cc1 ZINC000033358278 553954291 /nfs/dbraw/zinc/95/42/91/553954291.db2.gz OSSUAQOLMWHDEM-UHFFFAOYSA-N 0 0 538.961 4.855 50 0 KJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(Br)cc(Br)c1I ZINC000033358279 553954234 /nfs/dbraw/zinc/95/42/34/553954234.db2.gz DVKCZCLFSMUWAS-UHFFFAOYSA-N 0 0 538.961 4.840 50 0 KJAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 ZINC000033358287 553954152 /nfs/dbraw/zinc/95/41/52/553954152.db2.gz XVYPPYJTJUOGJD-UHFFFAOYSA-N 0 0 565.475 4.760 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000033358295 553954581 /nfs/dbraw/zinc/95/45/81/553954581.db2.gz PVBVLRSSRJNQGK-PZLPMSIKSA-N 0 0 525.399 4.784 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000033358296 553954506 /nfs/dbraw/zinc/95/45/06/553954506.db2.gz PVBVLRSSRJNQGK-IQDKPADRSA-N 0 0 525.399 4.784 50 0 KJAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000033358300 553954446 /nfs/dbraw/zinc/95/44/46/553954446.db2.gz LNGNURYUBFVWPU-UHFFFAOYSA-N 0 0 610.505 4.916 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccc(OC)cc2)cc1 ZINC000033358333 553954823 /nfs/dbraw/zinc/95/48/23/553954823.db2.gz JCMIEDKJVJGNFY-VWLOTQADSA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccc(OC)cc2)cc1 ZINC000033358334 553954846 /nfs/dbraw/zinc/95/48/46/553954846.db2.gz JCMIEDKJVJGNFY-RUZDIDTESA-N 0 0 549.624 4.585 50 0 KJAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1 ZINC000033358353 553954765 /nfs/dbraw/zinc/95/47/65/553954765.db2.gz VTCCOPDZUWCGLX-FQEVSTJZSA-N 0 0 538.423 4.709 50 0 KJAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1 ZINC000033358354 553954820 /nfs/dbraw/zinc/95/48/20/553954820.db2.gz VTCCOPDZUWCGLX-HXUWFJFHSA-N 0 0 538.423 4.709 50 0 KJAARN O=C(c1ccccc1S(=O)(=O)NC[C@H](O)COc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000033358411 553955471 /nfs/dbraw/zinc/95/54/71/553955471.db2.gz KPMYLGVEJPVTGV-FLPLPDKSSA-N 0 0 679.795 4.703 50 0 KJAARN O=C(c1ccccc1S(=O)(=O)NC[C@@H](O)COc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000033358412 553955514 /nfs/dbraw/zinc/95/55/14/553955514.db2.gz KPMYLGVEJPVTGV-QYAQUCTESA-N 0 0 679.795 4.703 50 0 KJAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1)Nc1ccc(F)cc1 ZINC000033358485 553956133 /nfs/dbraw/zinc/95/61/33/553956133.db2.gz IFKPDPDWTOJUOJ-UHFFFAOYSA-N 0 0 550.637 4.891 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033358686 1066484560 /nfs/dbraw/zinc/48/45/60/1066484560.db2.gz PTIFWAXMLLBUFA-GOSISDBHSA-N 0 0 608.495 4.784 50 0 KJAARN Cc1cc(=O)oc2cc(OC(=O)COc3ccc4c(c3)oc(C)c(-c3ccc5c(c3)OCCO5)c4=O)ccc12 ZINC000033359759 553957408 /nfs/dbraw/zinc/95/74/08/553957408.db2.gz RARQJRIHPRVKTF-UHFFFAOYSA-N 0 0 526.497 4.939 50 0 in-vitro KJAARN O=S(=O)(Oc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1 ZINC000033369967 553957525 /nfs/dbraw/zinc/95/75/25/553957525.db2.gz RESLSQMKWCCTOH-UHFFFAOYSA-N 0 0 501.557 4.578 50 0 KJAARN O=C(c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000033370839 1066484710 /nfs/dbraw/zinc/48/47/10/1066484710.db2.gz MDVBXNOMLPTFAC-DAXSKMNVSA-N 0 0 514.022 4.751 50 0 KJAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccc(Cl)cc1Cl ZINC000033382447 553957831 /nfs/dbraw/zinc/95/78/31/553957831.db2.gz HXBIYYGGIRMLFP-UHFFFAOYSA-N 0 0 504.391 4.780 50 0 KJAARN COC(=O)c1ccc(/C=C\c2sc3cc(OC)c4ccsc4c3[n+]2CCCS(=O)(=O)[O-])cc1 ZINC000033386657 1066484681 /nfs/dbraw/zinc/48/46/81/1066484681.db2.gz TVOZTKVECMHMSO-TWGQIWQCSA-O 0 0 504.631 4.647 50 0 KJAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1F ZINC000033390206 553958197 /nfs/dbraw/zinc/95/81/97/553958197.db2.gz CNEZTNJUVQRCNI-UHFFFAOYSA-N 0 0 522.558 4.511 50 0 KJAARN COc1ccc(CCN(Cc2ccco2)C(=O)CN(C(C)C)S(=O)(=O)/C=C/c2ccccc2)cc1OC ZINC000033396321 553958752 /nfs/dbraw/zinc/95/87/52/553958752.db2.gz ZWCHZKFTBXDFHN-OBGWFSINSA-N 0 0 526.655 4.579 50 0 KJAARN COCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000033400904 553958690 /nfs/dbraw/zinc/95/86/90/553958690.db2.gz KIVOJALRLFJKAM-UHFFFAOYSA-N 0 0 518.676 4.760 50 0 KJAARN CC(C)N(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccc2ccccc21 ZINC000033401177 553958684 /nfs/dbraw/zinc/95/86/84/553958684.db2.gz ZSSIAJBMSVAFCT-UHFFFAOYSA-N 0 0 520.607 4.790 50 0 KJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)/C=C\c2cccc(Br)c2)cc1 ZINC000033405611 1066484846 /nfs/dbraw/zinc/48/48/46/1066484846.db2.gz JDAIZHZLOFABPN-ZROIWOOFSA-N 0 0 509.356 4.905 50 0 KJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000033407597 553958886 /nfs/dbraw/zinc/95/88/86/553958886.db2.gz POZPAYDAWPPVIN-XDHOZWIPSA-N 0 0 501.033 4.729 50 0 KJAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)o2)CC1 ZINC000033412994 553959282 /nfs/dbraw/zinc/95/92/82/553959282.db2.gz OKYYBCWVZYFQEE-UHFFFAOYSA-N 0 0 517.626 4.864 50 0 KJAARN CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)c1cccs1 ZINC000033413377 553959273 /nfs/dbraw/zinc/95/92/73/553959273.db2.gz LZMNZYLFUWZYIO-UHFFFAOYSA-N 0 0 528.671 4.807 50 0 KJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NCCN3C(=O)S/C(=C/c4cccnc4)C3=O)cc12 ZINC000033415569 553959156 /nfs/dbraw/zinc/95/91/56/553959156.db2.gz KTPPDCAUUKOEPL-WSDLNYQXSA-N 0 0 517.636 4.624 50 0 KJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000033422447 553959557 /nfs/dbraw/zinc/95/95/57/553959557.db2.gz FPEHOBWOKZCZPI-DEOSSOPVSA-N 0 0 531.074 4.683 50 0 KJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000033422448 553959601 /nfs/dbraw/zinc/95/96/01/553959601.db2.gz FPEHOBWOKZCZPI-XMMPIXPASA-N 0 0 531.074 4.683 50 0 KJAARN COc1cc2c(cc1OC)CN(C(=O)/C=C\c1ccc(S(=O)(=O)Nc3ccccc3Cl)cc1)CC2 ZINC000033423195 1066484814 /nfs/dbraw/zinc/48/48/14/1066484814.db2.gz LTCCJMZCXULIOZ-XFXZXTDPSA-N 0 0 513.015 4.756 50 0 KJAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3ccccn3)C[C@@H]12 ZINC000033428994 553959550 /nfs/dbraw/zinc/95/95/50/553959550.db2.gz JQFMYEZPWCCJHB-SQHAQQRYSA-N 0 0 516.443 4.813 50 0 KJAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3ccccn3)C[C@@H]12 ZINC000033428995 553959539 /nfs/dbraw/zinc/95/95/39/553959539.db2.gz JQFMYEZPWCCJHB-SHQCIBLASA-N 0 0 516.443 4.813 50 0 KJAARN O=C(c1cc(-c2ccccc2)n(-c2nc(-c3cccc(O)c3)cs2)n1)N1CCN(c2ccccn2)CC1 ZINC000033435907 553960255 /nfs/dbraw/zinc/96/02/55/553960255.db2.gz JNEKNFKTENQZFO-UHFFFAOYSA-N 0 0 508.607 4.726 50 0 KJAARN O=C(Nc1ccc(F)cc1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOCC1 ZINC000033452406 553960528 /nfs/dbraw/zinc/96/05/28/553960528.db2.gz ZXDVGPUIIXOCHH-UHFFFAOYSA-N 0 0 504.971 4.761 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000033474345 553960773 /nfs/dbraw/zinc/96/07/73/553960773.db2.gz KEBUNQYQRDXLNU-IZZNHLLZSA-N 0 0 518.610 4.596 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000033474348 553960793 /nfs/dbraw/zinc/96/07/93/553960793.db2.gz KEBUNQYQRDXLNU-UIOOFZCWSA-N 0 0 518.610 4.596 50 0 KJAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000033475156 1066485373 /nfs/dbraw/zinc/48/53/73/1066485373.db2.gz MTYLGPVSBUVQGF-YFHOEESVSA-N 0 0 505.636 4.780 50 0 KJAARN CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000033478300 553961032 /nfs/dbraw/zinc/96/10/32/553961032.db2.gz AAMRTNJVOPPMGM-JOCHJYFZSA-N 0 0 528.671 4.666 50 0 KJAARN CC[C@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000033478302 553960949 /nfs/dbraw/zinc/96/09/49/553960949.db2.gz AAMRTNJVOPPMGM-QFIPXVFZSA-N 0 0 528.671 4.666 50 0 KJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000033480559 1066484794 /nfs/dbraw/zinc/48/47/94/1066484794.db2.gz FFGOIDXKAQXDOO-QXMHVHEDSA-N 0 0 508.427 4.554 50 0 KJAARN CC(C)(C)c1ccc(/C=C2/SC(=O)N(CCNC(=O)CCNC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000033480579 553961051 /nfs/dbraw/zinc/96/10/51/553961051.db2.gz HUNHGJPIXKHTLV-LTGZKZEYSA-N 0 0 514.047 4.610 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000033481240 1066485178 /nfs/dbraw/zinc/48/51/78/1066485178.db2.gz MKPHZOFVINZWTN-SREVYHEPSA-N 0 0 503.786 4.864 50 0 KJAARN CCc1cccc2c(C(=O)COC(=O)C=Cc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)c[nH]c21 ZINC000033481514 1066485082 /nfs/dbraw/zinc/48/50/82/1066485082.db2.gz RQVPAJKRLATCNX-QINSGFPZSA-N 0 0 514.603 4.921 50 0 KJAARN COCCCN(CC(=O)N(Cc1cccs1)Cc1ccccc1)S(=O)(=O)c1cccc2cccnc21 ZINC000033482800 553961286 /nfs/dbraw/zinc/96/12/86/553961286.db2.gz YJFRIWQCNDCOQD-UHFFFAOYSA-N 0 0 523.680 4.553 50 0 KJAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(I)o3)C2=O)cc1Cl ZINC000033482948 553961290 /nfs/dbraw/zinc/96/12/90/553961290.db2.gz MYTLTMRRCBHZSG-QPEQYQDCSA-N 0 0 502.717 4.521 50 0 KJAARN Nc1cccc2c1C(=O)N(CC(=O)N1N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@@H]1c1cccs1)C2=O ZINC000033490710 1066487309 /nfs/dbraw/zinc/48/73/09/1066487309.db2.gz RVCRTRUAUARBOM-PEUPVPMCSA-N 0 0 502.621 4.811 50 0 KJAARN Cc1ccc(NC(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)c(C)c1 ZINC000033497539 553961171 /nfs/dbraw/zinc/96/11/71/553961171.db2.gz KSOHXJHFVLVWLE-UHFFFAOYSA-N 0 0 536.648 4.821 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)cc2)CC1 ZINC000033552199 553962378 /nfs/dbraw/zinc/96/23/78/553962378.db2.gz VIOVGOJMKFZPIJ-UHFFFAOYSA-N 0 0 513.638 4.881 50 0 KJAARN CCCCNC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C[C@@H]1CCCO1 ZINC000033558139 553962628 /nfs/dbraw/zinc/96/26/28/553962628.db2.gz QUDDXQMRZPLLKD-QHCPKHFHSA-N 0 0 531.719 4.636 50 0 KJAARN CCCCNC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C[C@H]1CCCO1 ZINC000033558140 553962609 /nfs/dbraw/zinc/96/26/09/553962609.db2.gz QUDDXQMRZPLLKD-HSZRJFAPSA-N 0 0 531.719 4.636 50 0 KJAARN CC(C)c1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccccc2F)C1=O ZINC000033562480 553962983 /nfs/dbraw/zinc/96/29/83/553962983.db2.gz ZWSLSSRGVSDGNN-UHFFFAOYSA-O 0 0 503.941 4.723 50 0 KJAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000033579420 553963244 /nfs/dbraw/zinc/96/32/44/553963244.db2.gz QNVCWMBQXHXMDI-UHFFFAOYSA-N 0 0 503.852 4.553 50 0 KJAARN COc1cc2sc(/C=C\c3ccc(OC)c(OC)c3)[n+](CCCS(=O)(=O)[O-])c2c2sccc21 ZINC000033580698 1066485229 /nfs/dbraw/zinc/48/52/29/1066485229.db2.gz IASVAXJCFUSWBO-VURMDHGXSA-O 0 0 506.647 4.878 50 0 KJAARN COCCN(CCOC)C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C)C/C2=C/c1ccccc1 ZINC000033580984 553963130 /nfs/dbraw/zinc/96/31/30/553963130.db2.gz RYRYNBUNLCFZFO-HFBCPUAESA-N 0 0 502.611 4.636 50 0 KJAARN COCCN(CCOC)C(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C)C/C2=C/c1ccccc1 ZINC000033580985 553963249 /nfs/dbraw/zinc/96/32/49/553963249.db2.gz RYRYNBUNLCFZFO-GKYQZKGUSA-N 0 0 502.611 4.636 50 0 KJAARN O=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2sccc2[C@@H]1c1ccc(F)cc1 ZINC000033586367 553963467 /nfs/dbraw/zinc/96/34/67/553963467.db2.gz VFXZYDQMTBVFDX-DEOSSOPVSA-N 0 0 505.036 4.868 50 0 KJAARN O=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2sccc2[C@H]1c1ccc(F)cc1 ZINC000033586368 553963508 /nfs/dbraw/zinc/96/35/08/553963508.db2.gz VFXZYDQMTBVFDX-XMMPIXPASA-N 0 0 505.036 4.868 50 0 KJAARN CCOc1cc(/C=C\C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000033591845 1066485258 /nfs/dbraw/zinc/48/52/58/1066485258.db2.gz SLXLBWBIRXVQMK-PEZBUJJGSA-N 0 0 500.595 4.570 50 0 KJAARN COc1ccc(NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)C[C@@H]2CCCO2)cc1 ZINC000033594949 553963710 /nfs/dbraw/zinc/96/37/10/553963710.db2.gz RLBTVOVTOFWIJG-SANMLTNESA-N 0 0 505.615 4.881 50 0 KJAARN COc1ccc(NC(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)C[C@H]2CCCO2)cc1 ZINC000033594950 553963777 /nfs/dbraw/zinc/96/37/77/553963777.db2.gz RLBTVOVTOFWIJG-AREMUKBSSA-N 0 0 505.615 4.881 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2)cc1OC ZINC000033597439 553963746 /nfs/dbraw/zinc/96/37/46/553963746.db2.gz RCSMHQJHTDXBMS-VWLOTQADSA-N 0 0 535.641 4.890 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2)cc1OC ZINC000033597440 553963774 /nfs/dbraw/zinc/96/37/74/553963774.db2.gz RCSMHQJHTDXBMS-RUZDIDTESA-N 0 0 535.641 4.890 50 0 KJAARN CCc1ccc(NC(=O)N(CCOC)CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccco2)cc1 ZINC000033599866 553964067 /nfs/dbraw/zinc/96/40/67/553964067.db2.gz LEJUQXIRJWBANA-UHFFFAOYSA-N 0 0 523.630 4.611 50 0 KJAARN COc1ccc(C(=O)N(Cc2ccc(OC)c(OS(=O)(=O)c3ccc(F)cc3)c2)CC(C)C)cc1 ZINC000033600778 553964155 /nfs/dbraw/zinc/96/41/55/553964155.db2.gz HIOZVPRICIQFPH-UHFFFAOYSA-N 0 0 501.576 4.909 50 0 KJAARN CCOC(=O)CCC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C ZINC000033605561 553964073 /nfs/dbraw/zinc/96/40/73/553964073.db2.gz CCVPKKHAVGXDIQ-UHFFFAOYSA-N 0 0 518.658 4.831 50 0 KJAARN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)CCC(=O)OCC ZINC000033606639 553964280 /nfs/dbraw/zinc/96/42/80/553964280.db2.gz SJISWLZFYSLUEI-UHFFFAOYSA-N 0 0 509.622 4.850 50 0 KJAARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(OC)c1 ZINC000033621806 553964762 /nfs/dbraw/zinc/96/47/62/553964762.db2.gz HOFANNFOOQTHMG-NRFANRHFSA-N 0 0 523.014 4.856 50 0 KJAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(OC)c1 ZINC000033621807 553964740 /nfs/dbraw/zinc/96/47/40/553964740.db2.gz HOFANNFOOQTHMG-OAQYLSRUSA-N 0 0 523.014 4.856 50 0 KJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)s1 ZINC000033627388 553964943 /nfs/dbraw/zinc/96/49/43/553964943.db2.gz PEXXHYHRVHIILM-QHCPKHFHSA-N 0 0 516.660 4.594 50 0 KJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccccc2)s1 ZINC000033627389 553964903 /nfs/dbraw/zinc/96/49/03/553964903.db2.gz PEXXHYHRVHIILM-HSZRJFAPSA-N 0 0 516.660 4.594 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000033628221 1066485200 /nfs/dbraw/zinc/48/52/00/1066485200.db2.gz SMXWPLPJBACLSF-KAMYIIQDSA-N 0 0 510.999 4.595 50 0 KJAARN COc1ccc(Cc2c(C)nc(C)nc2N2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000033637151 553965459 /nfs/dbraw/zinc/96/54/59/553965459.db2.gz CUOUCXSBEJYZCW-UHFFFAOYSA-N 0 0 503.691 4.883 50 0 KJAARN COCCN(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)c1ccccc1F ZINC000033645287 553965775 /nfs/dbraw/zinc/96/57/75/553965775.db2.gz NJANFZRKMXEWNY-UHFFFAOYSA-N 0 0 511.493 4.901 50 0 KJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C2CC2)S(=O)(=O)c2cccc3cccnc32)s1 ZINC000033647640 553966010 /nfs/dbraw/zinc/96/60/10/553966010.db2.gz GZZPWGIYXMANCP-UHFFFAOYSA-N 0 0 505.665 4.987 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccc(C)o2)CC(C)C)cc1 ZINC000033648244 553965941 /nfs/dbraw/zinc/96/59/41/553965941.db2.gz KRVRZBHSKCUUGU-UHFFFAOYSA-N 0 0 522.642 4.984 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC(C)C)C(=O)Cc2ccccc2)cc1OC ZINC000033648246 553965956 /nfs/dbraw/zinc/96/59/56/553965956.db2.gz SRDIRMNHWPOQQW-UHFFFAOYSA-N 0 0 506.643 4.904 50 0 KJAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)C(C(=O)OCCOC)=C1C ZINC000033648585 553966028 /nfs/dbraw/zinc/96/60/28/553966028.db2.gz GLBPGGZHSLFAQC-NRFANRHFSA-N 0 0 521.561 4.672 50 0 KJAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)C(C(=O)OCCOC)=C1C ZINC000033648587 553965927 /nfs/dbraw/zinc/96/59/27/553965927.db2.gz GLBPGGZHSLFAQC-OAQYLSRUSA-N 0 0 521.561 4.672 50 0 KJAARN CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Cc1ccccc1 ZINC000033648915 553965965 /nfs/dbraw/zinc/96/59/65/553965965.db2.gz MYVSZSARCXVRIK-UHFFFAOYSA-N 0 0 536.669 4.674 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000033656375 553966272 /nfs/dbraw/zinc/96/62/72/553966272.db2.gz CWXRUXASPLKXTH-UHFFFAOYSA-N 0 0 518.676 4.842 50 0 KJAARN CCCC(=O)N(CCCOCC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1 ZINC000033664072 553966749 /nfs/dbraw/zinc/96/67/49/553966749.db2.gz HDOAWFDTANIMRR-UHFFFAOYSA-N 0 0 504.693 4.700 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC2CC2)C(=O)c2ccccc2F)cc1OC ZINC000033664394 553966786 /nfs/dbraw/zinc/96/67/86/553966786.db2.gz NFFLKGGYKVTJNQ-UHFFFAOYSA-N 0 0 508.590 4.868 50 0 KJAARN CCCOc1c(I)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OCC ZINC000033670288 553967337 /nfs/dbraw/zinc/96/73/37/553967337.db2.gz JGMJJIOSUYSLPI-LDADJPATSA-N 0 0 507.324 4.832 50 0 KJAARN Cc1ccc2nc(-c3ccc(NC(=O)/C=C\c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3)sc2c1 ZINC000033672171 1066485362 /nfs/dbraw/zinc/48/53/62/1066485362.db2.gz BCOYORVOMKLCCY-ACAGNQJTSA-N 0 0 519.648 4.945 50 0 KJAARN COc1cc(/C=C\C(=O)NC23CC4CC(CC(C4)C2)C3)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000033675337 1066485310 /nfs/dbraw/zinc/48/53/10/1066485310.db2.gz KJASHZLZKMFZNH-FPLPWBNLSA-N 0 0 522.667 4.553 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000033676087 1066485059 /nfs/dbraw/zinc/48/50/59/1066485059.db2.gz JSSNZOLDBVPCQH-WJDWOHSUSA-N 0 0 513.550 4.760 50 0 KJAARN O=C(CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O)Nc1cccc2ccccc21 ZINC000033677863 553967683 /nfs/dbraw/zinc/96/76/83/553967683.db2.gz LUOJMRBSYCYOLS-YBEGLDIGSA-N 0 0 504.305 4.712 50 0 KJAARN COCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C(C)C)cc1)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000033677983 553967678 /nfs/dbraw/zinc/96/76/78/553967678.db2.gz IHWMUSULPCTLQJ-GDLZYMKVSA-N 0 0 534.657 4.741 50 0 KJAARN COCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(C(C)C)cc1)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000033677984 553967637 /nfs/dbraw/zinc/96/76/37/553967637.db2.gz IHWMUSULPCTLQJ-LJAQVGFWSA-N 0 0 534.657 4.741 50 0 KJAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)Nc1ccc(C)cc1 ZINC000033686323 553968252 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/nfs/dbraw/zinc/48/53/86/1066485386.db2.gz XUNBSVFCMXEIHD-SDXDJHTJSA-N 0 0 512.672 4.635 50 0 KJAARN O=c1cc(CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)nc2sccn21 ZINC000033692304 553968410 /nfs/dbraw/zinc/96/84/10/553968410.db2.gz HMQNLTLBELCUEO-UHFFFAOYSA-N 0 0 506.016 4.680 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1ccc(NC(=O)Nc2ccccc2OC)cc1 ZINC000033702980 553969258 /nfs/dbraw/zinc/96/92/58/553969258.db2.gz ZOJNQMJPZFCRGG-QHCPKHFHSA-N 0 0 510.616 4.652 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1ccc(NC(=O)Nc2ccccc2OC)cc1 ZINC000033702982 553969262 /nfs/dbraw/zinc/96/92/62/553969262.db2.gz ZOJNQMJPZFCRGG-HSZRJFAPSA-N 0 0 510.616 4.652 50 0 KJAARN CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)S(=O)(=O)c1ccc(C)cc1 ZINC000033703142 553969255 /nfs/dbraw/zinc/96/92/55/553969255.db2.gz OSXYVIJCVHJBSY-UHFFFAOYSA-N 0 0 528.671 4.586 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N/C=C\n3cnc4cc(C(F)(F)F)ccc43)c2)C1 ZINC000033706132 1066485116 /nfs/dbraw/zinc/48/51/16/1066485116.db2.gz 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COCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1OC)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000033726352 553970771 /nfs/dbraw/zinc/97/07/71/553970771.db2.gz SGBRRVUWIDCNQI-MUUNZHRXSA-N 0 0 503.643 4.515 50 0 KJAARN COCCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)c1ccccc1 ZINC000033729241 553970751 /nfs/dbraw/zinc/97/07/51/553970751.db2.gz KCRWXTKQMSEQTG-UHFFFAOYSA-N 0 0 512.606 4.809 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000033731702 553970756 /nfs/dbraw/zinc/97/07/56/553970756.db2.gz SHMSIPXRUYYIAG-UHFFFAOYSA-N 0 0 528.671 4.584 50 0 KJAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000033731715 1066485972 /nfs/dbraw/zinc/48/59/72/1066485972.db2.gz VDCOHPMUEHEDRS-GHXNOFRVSA-N 0 0 511.427 4.753 50 0 KJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1C ZINC000033732025 553970838 /nfs/dbraw/zinc/97/08/38/553970838.db2.gz RLTXHMCCULQTCM-UHFFFAOYSA-N 0 0 508.640 4.801 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000033733522 553971051 /nfs/dbraw/zinc/97/10/51/553971051.db2.gz ABVCTJBTGVEOCP-KIHHCIJBSA-N 0 0 503.480 4.860 50 0 KJAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)OCC(=O)NCC1CCCCC1 ZINC000033736293 1066485987 /nfs/dbraw/zinc/48/59/87/1066485987.db2.gz VIUSHIREEUQESZ-OWBHPGMISA-N 0 0 501.583 4.563 50 0 KJAARN CCc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)Nc2ccc(F)cc2)CN3c2ccccc2)c1 ZINC000033741801 553971646 /nfs/dbraw/zinc/97/16/46/553971646.db2.gz DJRUWSZUNGFZGG-UHFFFAOYSA-N 0 0 529.616 4.700 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC2CC2)C(=O)c2ccc(F)cc2)cc1OC ZINC000033742340 553971609 /nfs/dbraw/zinc/97/16/09/553971609.db2.gz AUUBXCSXRODYRT-UHFFFAOYSA-N 0 0 508.590 4.868 50 0 KJAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(S(=O)(=O)N5CCOCC5)ccc4F)cc3)sc2c1 ZINC000033744526 553971920 /nfs/dbraw/zinc/97/19/20/553971920.db2.gz XSUOXTXWKNDCGL-UHFFFAOYSA-N 0 0 511.600 4.684 50 0 KJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000033748370 553971823 /nfs/dbraw/zinc/97/18/23/553971823.db2.gz INOYBRCYHVFHBL-LIKDZFNVSA-N 0 0 513.656 4.594 50 0 KJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000033748376 553971933 /nfs/dbraw/zinc/97/19/33/553971933.db2.gz INOYBRCYHVFHBL-RFLWCCGPSA-N 0 0 513.656 4.594 50 0 KJAARN CC(C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)S(=O)(=O)c1cccc2cccnc21 ZINC000033757573 553972381 /nfs/dbraw/zinc/97/23/81/553972381.db2.gz RWSKCIOUYPMBJX-UHFFFAOYSA-N 0 0 514.600 4.741 50 0 KJAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000033759098 553972363 /nfs/dbraw/zinc/97/23/63/553972363.db2.gz KRVSOOQBQHMCFN-KZVLXBEFSA-N 0 0 510.681 4.817 50 0 KJAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000033759099 553972406 /nfs/dbraw/zinc/97/24/06/553972406.db2.gz KRVSOOQBQHMCFN-GOOXQAOHSA-N 0 0 510.681 4.817 50 0 KJAARN COC(=O)C1=NN(c2ccccc2)[C@]2(S1)S/C(=C\c1ccc3c(c1)OCO3)C(=O)N2c1ccccc1 ZINC000033760772 553972468 /nfs/dbraw/zinc/97/24/68/553972468.db2.gz ITOWIOGSECLGLB-ABSINIAXSA-N 0 0 517.588 4.887 50 0 KJAARN COC(=O)C1=NN(c2ccccc2)[C@@]2(S1)S/C(=C\c1ccc3c(c1)OCO3)C(=O)N2c1ccccc1 ZINC000033760773 553972420 /nfs/dbraw/zinc/97/24/20/553972420.db2.gz ITOWIOGSECLGLB-ZQMPRBCBSA-N 0 0 517.588 4.887 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000033770759 553972962 /nfs/dbraw/zinc/97/29/62/553972962.db2.gz DXIAQLSJRMCEDS-UHFFFAOYSA-N 0 0 527.593 4.925 50 0 KJAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(OC)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000033777756 553973212 /nfs/dbraw/zinc/97/32/12/553973212.db2.gz QFNFYRVBQGMTSN-TXDHVUEDSA-N 0 0 504.675 4.819 50 0 KJAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1cccc(OC)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000033777757 553973207 /nfs/dbraw/zinc/97/32/07/553973207.db2.gz QFNFYRVBQGMTSN-RFZHRTLMSA-N 0 0 504.675 4.819 50 0 KJAARN C[C@H](OC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000033780224 1066486000 /nfs/dbraw/zinc/48/60/00/1066486000.db2.gz CHTYPTXBIJUGLL-ANGAQGJPSA-N 0 0 501.564 4.591 50 0 KJAARN C[C@@H](OC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000033780225 1066486099 /nfs/dbraw/zinc/48/60/99/1066486099.db2.gz CHTYPTXBIJUGLL-SIKDUDHDSA-N 0 0 501.564 4.591 50 0 KJAARN CCOc1cc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)ccc1OCCN1CCOCC1 ZINC000033781365 553973186 /nfs/dbraw/zinc/97/31/86/553973186.db2.gz QMCBTWHJQCWRRN-MBEZDYHHSA-N 0 0 529.685 4.662 50 0 KJAARN CCOc1cc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)ccc1OCCN1CCOCC1 ZINC000033781367 553973201 /nfs/dbraw/zinc/97/32/01/553973201.db2.gz QMCBTWHJQCWRRN-ZXDNMGRFSA-N 0 0 529.685 4.662 50 0 KJAARN COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)c1cccc(F)c1 ZINC000033786760 553973498 /nfs/dbraw/zinc/97/34/98/553973498.db2.gz XAMOQYUETQCFSE-UHFFFAOYSA-N 0 0 516.569 4.558 50 0 KJAARN COc1cc(OC)cc([C@@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000033787386 553973805 /nfs/dbraw/zinc/97/38/05/553973805.db2.gz IGRJXFYERAXUDT-GDLZYMKVSA-N 0 0 527.665 4.677 50 0 KJAARN COc1cc(OC)cc([C@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000033787387 553973823 /nfs/dbraw/zinc/97/38/23/553973823.db2.gz IGRJXFYERAXUDT-LJAQVGFWSA-N 0 0 527.665 4.677 50 0 KJAARN COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cn1nc(C)c(Br)c1C ZINC000033790554 553973732 /nfs/dbraw/zinc/97/37/32/553973732.db2.gz PCYODHJSPUIQCQ-OAQYLSRUSA-N 0 0 511.420 4.770 50 0 KJAARN COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cn1nc(C)c(Br)c1C ZINC000033790555 553974135 /nfs/dbraw/zinc/97/41/35/553974135.db2.gz PCYODHJSPUIQCQ-NRFANRHFSA-N 0 0 511.420 4.770 50 0 KJAARN CCOC(=O)c1csc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2-c2ccccc2)n1 ZINC000033817349 553974321 /nfs/dbraw/zinc/97/43/21/553974321.db2.gz KAIIXOJXZAWUGP-MRXNPFEDSA-N 0 0 509.613 4.771 50 0 KJAARN CCOC(=O)c1csc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2-c2ccccc2)n1 ZINC000033817350 553974332 /nfs/dbraw/zinc/97/43/32/553974332.db2.gz KAIIXOJXZAWUGP-INIZCTEOSA-N 0 0 509.613 4.771 50 0 KJAARN COCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000033851783 553974920 /nfs/dbraw/zinc/97/49/20/553974920.db2.gz GKOMNDDBLQUJBB-UHFFFAOYSA-N 0 0 519.063 4.540 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccc(C)o2)C(C)C)cc1 ZINC000033853798 553975206 /nfs/dbraw/zinc/97/52/06/553975206.db2.gz INWRMXXMFPSLIM-UHFFFAOYSA-N 0 0 508.615 4.736 50 0 KJAARN COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)/C=C/c1ccccc1 ZINC000033872770 553975788 /nfs/dbraw/zinc/97/57/88/553975788.db2.gz FXJSTAQXKGWGRY-JQIJEIRASA-N 0 0 524.617 4.819 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2cccc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)c2)CC1 ZINC000033873582 553975744 /nfs/dbraw/zinc/97/57/44/553975744.db2.gz ZQPBISCNSWPMBQ-UHFFFAOYSA-N 0 0 513.638 4.881 50 0 KJAARN COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Nc1ccc(C)cc1 ZINC000033880728 553975782 /nfs/dbraw/zinc/97/57/82/553975782.db2.gz NBOYQQBBYHASAB-UHFFFAOYSA-N 0 0 523.630 4.665 50 0 KJAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000033900147 553976096 /nfs/dbraw/zinc/97/60/96/553976096.db2.gz QAOSIWDRNAYBOL-QYOOZWMWSA-N 0 0 512.949 4.664 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccc(C)o2)CC2CC2)cc1 ZINC000033915103 553976288 /nfs/dbraw/zinc/97/62/88/553976288.db2.gz UFVJCOWNVPPKFC-UHFFFAOYSA-N 0 0 520.626 4.738 50 0 KJAARN Cc1ccc(C(=O)N/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000033927510 553976787 /nfs/dbraw/zinc/97/67/87/553976787.db2.gz VAIDHHVTBNFRDL-SAMCCOJGSA-N 0 0 506.606 4.914 50 0 KJAARN Cc1ccc(C(=O)N/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000033927511 553976836 /nfs/dbraw/zinc/97/68/36/553976836.db2.gz VAIDHHVTBNFRDL-ZSUWKCOKSA-N 0 0 506.606 4.914 50 0 KJAARN O=S(=O)(c1ccccc1Br)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034194444 553981132 /nfs/dbraw/zinc/98/11/32/553981132.db2.gz PUOYPOREBKGZSK-UHFFFAOYSA-N 0 0 507.400 4.823 50 0 KJAARN O=C(N[C@H](Cc1ccc(I)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000034412170 553981511 /nfs/dbraw/zinc/98/15/11/553981511.db2.gz WTQZSPFACQCJMP-JOCHJYFZSA-N 0 0 515.347 4.872 50 0 KJAARN O=C(N[C@@H](Cc1ccc(I)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000034412171 553981415 /nfs/dbraw/zinc/98/14/15/553981415.db2.gz WTQZSPFACQCJMP-QFIPXVFZSA-N 0 0 515.347 4.872 50 0 KJAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc1 ZINC000034667797 553982189 /nfs/dbraw/zinc/98/21/89/553982189.db2.gz PFVFJIVRDBPMLM-UHFFFAOYSA-N 0 0 505.447 4.985 50 0 KJAARN COc1ccc(Cl)cc1N1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034668260 553982173 /nfs/dbraw/zinc/98/21/73/553982173.db2.gz UWDIYMDEGBZPFA-UHFFFAOYSA-N 0 0 508.928 4.608 50 0 KJAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C=C\c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3Cl)ccc21 ZINC000034675304 1067138635 /nfs/dbraw/zinc/13/86/35/1067138635.db2.gz ORNCEFZZMZRVCU-ZMOVQZPESA-N 0 0 555.056 4.527 50 0 KJAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C=C\c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3Cl)ccc21 ZINC000034675305 1067138490 /nfs/dbraw/zinc/13/84/90/1067138490.db2.gz ORNCEFZZMZRVCU-JQYPEGPJSA-N 0 0 555.056 4.527 50 0 KJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1)NCCN1CCOCC1 ZINC000034675433 553983032 /nfs/dbraw/zinc/98/30/32/553983032.db2.gz FWCXSMVHAWTSCA-UHFFFAOYSA-N 0 0 526.464 4.831 50 0 KJAARN Cc1ccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)cc1 ZINC000034676631 553982926 /nfs/dbraw/zinc/98/29/26/553982926.db2.gz JSRDYVWPTXUJDA-UHFFFAOYSA-N 0 0 511.548 4.546 50 0 KJAARN Cc1ccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1 ZINC000034676642 553983000 /nfs/dbraw/zinc/98/30/00/553983000.db2.gz JNRVDYQCCLWKNE-UHFFFAOYSA-N 0 0 512.441 4.834 50 0 KJAARN CC(C)N(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000034676900 553983204 /nfs/dbraw/zinc/98/32/04/553983204.db2.gz YYPQONXVWJMIID-UHFFFAOYSA-N 0 0 520.081 4.891 50 0 KJAARN CCN(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000034676905 553983115 /nfs/dbraw/zinc/98/31/15/553983115.db2.gz SHZBOTDFFGBFKT-UHFFFAOYSA-N 0 0 506.054 4.503 50 0 KJAARN CC1CCN(c2nc(N(C)Cc3ccccc3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)CC1 ZINC000034679151 553984269 /nfs/dbraw/zinc/98/42/69/553984269.db2.gz ZOYLEPXGPJDIPN-UHFFFAOYSA-N 0 0 526.106 4.750 50 0 KJAARN CN(c1nc2c(c(N3CCCCC3)n1)CN(S(=O)(=O)c1cccc(Cl)c1)CC2)C1CCCCC1 ZINC000034679154 553984335 /nfs/dbraw/zinc/98/43/35/553984335.db2.gz GJWIZPPMFUCHSF-UHFFFAOYSA-N 0 0 504.100 4.636 50 0 KJAARN O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCN(C(=O)c3ccc(Br)cc3)CC2)nc1 ZINC000034680641 553984303 /nfs/dbraw/zinc/98/43/03/553984303.db2.gz YGSQUWXSSOMGMB-UHFFFAOYSA-N 0 0 511.395 4.517 50 0 KJAARN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCN(C(=O)c3cccc(Br)c3)CC2)nc1 ZINC000034680831 553984283 /nfs/dbraw/zinc/98/42/83/553984283.db2.gz VCLGBTUZGBXFHX-JLHYYAGUSA-N 0 0 505.416 4.849 50 0 KJAARN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccc(Br)cc3)CC2)nc1 ZINC000034680836 553984344 /nfs/dbraw/zinc/98/43/44/553984344.db2.gz YWRPCLTZBTXJRB-VGOFMYFVSA-N 0 0 505.416 4.849 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3ccc(F)cc3F)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034680899 553984638 /nfs/dbraw/zinc/98/46/38/553984638.db2.gz MWOVTKXXTRQLSX-UHFFFAOYSA-N 0 0 504.459 4.983 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1)c1ccc2c(c1)OCO2 ZINC000034680949 553984595 /nfs/dbraw/zinc/98/45/95/553984595.db2.gz VVXOXTPMJSZXDZ-UHFFFAOYSA-N 0 0 513.381 4.722 50 0 KJAARN COc1ccc(CC(=O)Nc2ccc(N3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nc2)cc1 ZINC000034680967 553984518 /nfs/dbraw/zinc/98/45/18/553984518.db2.gz PSHSOBGLSPPHFS-UHFFFAOYSA-N 0 0 512.532 4.643 50 0 KJAARN COc1ccc(CC(=O)Nc2ccc(N3CCCN(C(=O)c4ccc(Cl)cc4Cl)CC3)nc2)cc1 ZINC000034680980 553984643 /nfs/dbraw/zinc/98/46/43/553984643.db2.gz MGSYZCKMNGXJDM-UHFFFAOYSA-N 0 0 513.425 4.931 50 0 KJAARN CC[C@H](C(=O)Nc1ccc(N2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1ccccc1 ZINC000034681028 553984504 /nfs/dbraw/zinc/98/45/04/553984504.db2.gz RJHBHSSMPRDGGE-VWLOTQADSA-N 0 0 507.034 4.985 50 0 KJAARN CC[C@@H](C(=O)Nc1ccc(N2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1ccccc1 ZINC000034681029 553984526 /nfs/dbraw/zinc/98/45/26/553984526.db2.gz RJHBHSSMPRDGGE-RUZDIDTESA-N 0 0 507.034 4.985 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3ccc(Br)cc3)CC2)nc1)c1ccc(F)cc1F ZINC000034681057 553984531 /nfs/dbraw/zinc/98/45/31/553984531.db2.gz RXQFRQOGXYRKAE-UHFFFAOYSA-N 0 0 515.358 4.727 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3cccc(Br)c3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681074 553984655 /nfs/dbraw/zinc/98/46/55/553984655.db2.gz SWLBCAUOHMXEBH-UHFFFAOYSA-N 0 0 515.358 4.727 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc1)Nc1ccc(F)c(Cl)c1 ZINC000034681205 553984617 /nfs/dbraw/zinc/98/46/17/553984617.db2.gz CHGAGFQPBUXCGF-UHFFFAOYSA-N 0 0 511.941 4.599 50 0 KJAARN COc1cc(OC)cc(C(=O)N2CCCN(c3ccc(NC(=O)Nc4cccc(C)c4C)cn3)CC2)c1 ZINC000034681237 553984901 /nfs/dbraw/zinc/98/49/01/553984901.db2.gz FQXZDMZHYBWKFM-UHFFFAOYSA-N 0 0 503.603 4.712 50 0 KJAARN COc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)Nc4cccc(C)c4C)cn3)CC2)cc1OC ZINC000034681242 553984887 /nfs/dbraw/zinc/98/48/87/553984887.db2.gz PSJYWSCDYXFLSY-UHFFFAOYSA-N 0 0 503.603 4.712 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3ccc(Br)cc3)CC2)nc1)NC1CCCCC1 ZINC000034681250 553984855 /nfs/dbraw/zinc/98/48/55/553984855.db2.gz OHOUUGBXYOSEAV-UHFFFAOYSA-N 0 0 500.441 4.651 50 0 KJAARN Cc1ccc(NC(=O)Nc2ccc(N3CCCN(C(=O)COc4ccc(Cl)cc4)CC3)nc2)cc1F ZINC000034681268 553984880 /nfs/dbraw/zinc/98/48/80/553984880.db2.gz FDCVKHZQLILZMY-UHFFFAOYSA-N 0 0 511.985 4.944 50 0 KJAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)nc1 ZINC000034681302 553984899 /nfs/dbraw/zinc/98/48/99/553984899.db2.gz HRULSMARBDOPPW-UHFFFAOYSA-N 0 0 505.447 4.985 50 0 KJAARN O=C(COc1ccccc1)N1CCCN(c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000034681341 553984860 /nfs/dbraw/zinc/98/48/60/553984860.db2.gz VDGRDDGYQNMESU-UHFFFAOYSA-N 0 0 513.520 4.862 50 0 KJAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nc1 ZINC000034681389 553984842 /nfs/dbraw/zinc/98/48/42/553984842.db2.gz FIRWKLFSHHNFJS-UHFFFAOYSA-N 0 0 519.549 4.645 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCN(c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cn3)CC2)cc1 ZINC000034681399 553984889 /nfs/dbraw/zinc/98/48/89/553984889.db2.gz PZRJOOQCGPTQNG-UHFFFAOYSA-N 0 0 518.014 4.728 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCN(c3ccc(NC(=O)Nc4ccccc4Cl)cn3)CC2)cc1 ZINC000034681401 553984838 /nfs/dbraw/zinc/98/48/38/553984838.db2.gz BJMVNRGNMWJPPU-UHFFFAOYSA-N 0 0 500.024 4.588 50 0 KJAARN O=C(Nc1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1)Nc1ccc(F)c(F)c1 ZINC000034681404 553985004 /nfs/dbraw/zinc/98/50/04/553985004.db2.gz JENIUSASDKGFIJ-UHFFFAOYSA-N 0 0 521.977 4.558 50 0 KJAARN O=C(Nc1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1)c1ccccc1Cl ZINC000034681427 553985179 /nfs/dbraw/zinc/98/51/79/553985179.db2.gz GTANVCXAYBOOPD-UHFFFAOYSA-N 0 0 505.427 4.542 50 0 KJAARN CC[C@H](C(=O)Nc1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1)c1ccccc1 ZINC000034681455 553985055 /nfs/dbraw/zinc/98/50/55/553985055.db2.gz VOIMDFMJVGYRJE-DEOSSOPVSA-N 0 0 513.063 4.768 50 0 KJAARN CC[C@@H](C(=O)Nc1ccc(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1)c1ccccc1 ZINC000034681456 553985040 /nfs/dbraw/zinc/98/50/40/553985040.db2.gz VOIMDFMJVGYRJE-XMMPIXPASA-N 0 0 513.063 4.768 50 0 KJAARN COc1ccc(CN2CCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)c(OC)c1OC ZINC000034681473 553985007 /nfs/dbraw/zinc/98/50/07/553985007.db2.gz HGJKADMRQJVXPW-UHFFFAOYSA-N 0 0 518.658 4.979 50 0 KJAARN COc1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000034683708 553985813 /nfs/dbraw/zinc/98/58/13/553985813.db2.gz QLMDNOITEDWMAK-UHFFFAOYSA-N 0 0 502.583 4.842 50 0 KJAARN COc1ccc(OC)c(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000034683709 553985972 /nfs/dbraw/zinc/98/59/72/553985972.db2.gz OUUZIWXOSRMIOB-UHFFFAOYSA-N 0 0 502.583 4.842 50 0 KJAARN COc1ccc(CN2CCC(N(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc3)CC2)c(OC)c1 ZINC000034683742 553985909 /nfs/dbraw/zinc/98/59/09/553985909.db2.gz MHFNVMYSKAETOS-UHFFFAOYSA-N 0 0 526.655 4.581 50 0 KJAARN COc1ccc(N(C2CCN(Cc3cccc(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000034683743 553985937 /nfs/dbraw/zinc/98/59/37/553985937.db2.gz HLXWDMSRROCLKV-UHFFFAOYSA-N 0 0 526.655 4.581 50 0 KJAARN COc1ccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000034683840 553986327 /nfs/dbraw/zinc/98/63/27/553986327.db2.gz MBQALHWXBCDMKV-UHFFFAOYSA-N 0 0 524.639 4.601 50 0 KJAARN COc1cccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)c1OC ZINC000034683841 553986365 /nfs/dbraw/zinc/98/63/65/553986365.db2.gz OMULSXNLOMJNSL-UHFFFAOYSA-N 0 0 524.639 4.601 50 0 KJAARN COc1cccc(N(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034683872 553986391 /nfs/dbraw/zinc/98/63/91/553986391.db2.gz VEYGEPSPYSGONI-UHFFFAOYSA-N 0 0 508.640 4.635 50 0 KJAARN COc1cccc(N(C2CCN(Cc3ccc(OC)cc3OC)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034683875 553986372 /nfs/dbraw/zinc/98/63/72/553986372.db2.gz ULORAMFKOLYVAQ-UHFFFAOYSA-N 0 0 510.656 4.881 50 0 KJAARN COc1ccc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000034683892 553986267 /nfs/dbraw/zinc/98/62/67/553986267.db2.gz RJYQLOGCGBHPHT-UHFFFAOYSA-N 0 0 510.656 4.881 50 0 KJAARN COc1ccc(CN2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000034683899 553986315 /nfs/dbraw/zinc/98/63/15/553986315.db2.gz LNJORIXIFKWJHN-UHFFFAOYSA-N 0 0 514.619 4.711 50 0 KJAARN COc1ccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)c(OC)c1OC ZINC000034683949 553986754 /nfs/dbraw/zinc/98/67/54/553986754.db2.gz ZIFWIPRIOALAIE-UHFFFAOYSA-N 0 0 510.656 4.881 50 0 KJAARN COc1cccc(N(C2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000034683996 553986545 /nfs/dbraw/zinc/98/65/45/553986545.db2.gz VCUMLHCDMRCUHQ-UHFFFAOYSA-N 0 0 526.655 4.581 50 0 KJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000034684298 553986695 /nfs/dbraw/zinc/98/66/95/553986695.db2.gz JGSMAOOJOGOODG-UHFFFAOYSA-N 0 0 511.544 4.682 50 0 KJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000034684381 553986758 /nfs/dbraw/zinc/98/67/58/553986758.db2.gz YXMODTUBQBNDCD-UHFFFAOYSA-N 0 0 512.454 4.964 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCN(C)CC4)o3)cc2[C@@H]1c1ccc(F)cc1 ZINC000034685731 553987710 /nfs/dbraw/zinc/98/77/10/553987710.db2.gz XKRSNSHCPRMHBP-NDEPHWFRSA-N 0 0 519.617 4.515 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCN(C)CC4)o3)cc2[C@H]1c1ccc(F)cc1 ZINC000034685732 553987705 /nfs/dbraw/zinc/98/77/05/553987705.db2.gz XKRSNSHCPRMHBP-MUUNZHRXSA-N 0 0 519.617 4.515 50 0 KJAARN CN1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@H](c3ccccc3)N(C(=O)C(C)(C)C)CC4)o2)CC1 ZINC000034685753 553987794 /nfs/dbraw/zinc/98/77/94/553987794.db2.gz ZLUBWCGJSAZDBD-NDEPHWFRSA-N 0 0 515.654 4.766 50 0 KJAARN CN1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3ccccc3)N(C(=O)C(C)(C)C)CC4)o2)CC1 ZINC000034685754 553987701 /nfs/dbraw/zinc/98/77/01/553987701.db2.gz ZLUBWCGJSAZDBD-MUUNZHRXSA-N 0 0 515.654 4.766 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCN(C)CC4)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000034685763 553987771 /nfs/dbraw/zinc/98/77/71/553987771.db2.gz PEEWXEHWHSGYEN-NDEPHWFRSA-N 0 0 519.617 4.515 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCN(C)CC4)o3)cc2[C@H]1c1cccc(F)c1 ZINC000034685764 553987651 /nfs/dbraw/zinc/98/76/51/553987651.db2.gz PEEWXEHWHSGYEN-MUUNZHRXSA-N 0 0 519.617 4.515 50 0 KJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000034685925 553988002 /nfs/dbraw/zinc/98/80/02/553988002.db2.gz LVETXHUTMQLAPV-LJQANCHMSA-N 0 0 502.364 4.675 50 0 KJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000034685926 553988090 /nfs/dbraw/zinc/98/80/90/553988090.db2.gz LVETXHUTMQLAPV-IBGZPJMESA-N 0 0 502.364 4.675 50 0 KJAARN Cc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)c2cccc(CC(=O)NCCc3ccccn3)c2)cc1 ZINC000034686564 553988501 /nfs/dbraw/zinc/98/85/01/553988501.db2.gz GWQJMJSHNGPDIR-UHFFFAOYSA-N 0 0 507.590 4.867 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NCCc3ccccn3)cc2[C@@H]1c1cccc(F)c1 ZINC000034686727 553988393 /nfs/dbraw/zinc/98/83/93/553988393.db2.gz NIPDHBDKYLQXFA-LGGPFLRQSA-N 0 0 503.618 4.867 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NCCc3ccccn3)cc2[C@H]1c1cccc(F)c1 ZINC000034686728 553988649 /nfs/dbraw/zinc/98/86/49/553988649.db2.gz NIPDHBDKYLQXFA-KCWXNJEJSA-N 0 0 503.618 4.867 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCCc3ccccn3)cc2[C@@H]1c1cccc(F)c1 ZINC000034686729 553988590 /nfs/dbraw/zinc/98/85/90/553988590.db2.gz NIPDHBDKYLQXFA-PBBNMVCDSA-N 0 0 503.618 4.867 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCCc3ccccn3)cc2[C@H]1c1cccc(F)c1 ZINC000034686730 553988670 /nfs/dbraw/zinc/98/86/70/553988670.db2.gz NIPDHBDKYLQXFA-ONOMSOESSA-N 0 0 503.618 4.867 50 0 KJAARN C[C@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2)C(=O)NCCc1ccccn1 ZINC000034686761 553988710 /nfs/dbraw/zinc/98/87/10/553988710.db2.gz VLCZASGWLNRTKE-DCFHFQCYSA-N 0 0 503.618 4.867 50 0 KJAARN C[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2)C(=O)NCCc1ccccn1 ZINC000034686762 553988571 /nfs/dbraw/zinc/98/85/71/553988571.db2.gz VLCZASGWLNRTKE-HRFSGMKKSA-N 0 0 503.618 4.867 50 0 KJAARN C[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2)C(=O)NCCc1ccccn1 ZINC000034686763 553988638 /nfs/dbraw/zinc/98/86/38/553988638.db2.gz VLCZASGWLNRTKE-CCLHPLFOSA-N 0 0 503.618 4.867 50 0 KJAARN C[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2)C(=O)NCCc1ccccn1 ZINC000034686764 553988627 /nfs/dbraw/zinc/98/86/27/553988627.db2.gz VLCZASGWLNRTKE-NFQMXDRXSA-N 0 0 503.618 4.867 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NCCc3ccccn3)cc2[C@@H]1c1ccc(F)cc1 ZINC000034686779 553988654 /nfs/dbraw/zinc/98/86/54/553988654.db2.gz UTYZWWDCNMHCQU-LGGPFLRQSA-N 0 0 503.618 4.867 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NCCc3ccccn3)cc2[C@H]1c1ccc(F)cc1 ZINC000034686780 553988611 /nfs/dbraw/zinc/98/86/11/553988611.db2.gz UTYZWWDCNMHCQU-KCWXNJEJSA-N 0 0 503.618 4.867 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCCc3ccccn3)cc2[C@@H]1c1ccc(F)cc1 ZINC000034686781 553988690 /nfs/dbraw/zinc/98/86/90/553988690.db2.gz UTYZWWDCNMHCQU-PBBNMVCDSA-N 0 0 503.618 4.867 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCCc3ccccn3)cc2[C@H]1c1ccc(F)cc1 ZINC000034686782 553988659 /nfs/dbraw/zinc/98/86/59/553988659.db2.gz UTYZWWDCNMHCQU-ONOMSOESSA-N 0 0 503.618 4.867 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NCc4ccncc4)co3)cc2[C@@H]1c1ccc(F)cc1 ZINC000034686809 553988910 /nfs/dbraw/zinc/98/89/10/553988910.db2.gz TZPPCCCXHABEPJ-NDEPHWFRSA-N 0 0 528.584 4.848 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NCc4ccncc4)co3)cc2[C@H]1c1ccc(F)cc1 ZINC000034686810 553988892 /nfs/dbraw/zinc/98/88/92/553988892.db2.gz TZPPCCCXHABEPJ-MUUNZHRXSA-N 0 0 528.584 4.848 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NCc4ccccn4)co3)cc2[C@@H]1c1ccc(F)cc1 ZINC000034686815 553988924 /nfs/dbraw/zinc/98/89/24/553988924.db2.gz SBDZVRVBOXUGLC-NDEPHWFRSA-N 0 0 514.557 4.602 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NCc4ccccn4)co3)cc2[C@H]1c1ccc(F)cc1 ZINC000034686816 553988968 /nfs/dbraw/zinc/98/89/68/553988968.db2.gz SBDZVRVBOXUGLC-MUUNZHRXSA-N 0 0 514.557 4.602 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NCCc4ccccn4)co3)cc2[C@@H]1c1ccc(C)cc1 ZINC000034686845 553988944 /nfs/dbraw/zinc/98/89/44/553988944.db2.gz BDOZEIZKDRONJD-PMERELPUSA-N 0 0 524.621 4.814 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NCCc4ccccn4)co3)cc2[C@H]1c1ccc(C)cc1 ZINC000034686846 553988965 /nfs/dbraw/zinc/98/89/65/553988965.db2.gz BDOZEIZKDRONJD-SSEXGKCCSA-N 0 0 524.621 4.814 50 0 KJAARN Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NCc5ccncc5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000034686851 553988971 /nfs/dbraw/zinc/98/89/71/553988971.db2.gz OJSPTQQOOPPJIY-GDLZYMKVSA-N 0 0 522.605 4.771 50 0 KJAARN Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NCc5ccncc5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000034686852 553988949 /nfs/dbraw/zinc/98/89/49/553988949.db2.gz OJSPTQQOOPPJIY-LJAQVGFWSA-N 0 0 522.605 4.771 50 0 KJAARN Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NCc5cccnc5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000034686853 553988894 /nfs/dbraw/zinc/98/88/94/553988894.db2.gz MSWOYNMYSSVQPI-GDLZYMKVSA-N 0 0 522.605 4.771 50 0 KJAARN Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NCc5cccnc5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000034686854 553988901 /nfs/dbraw/zinc/98/89/01/553988901.db2.gz MSWOYNMYSSVQPI-LJAQVGFWSA-N 0 0 522.605 4.771 50 0 KJAARN O=C(NCc1cccnc1)c1coc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)C2CC2)CC3)n1 ZINC000034686871 553988906 /nfs/dbraw/zinc/98/89/06/553988906.db2.gz XJOJEXSPMFEZGN-MUUNZHRXSA-N 0 0 526.568 4.602 50 0 KJAARN O=C(NCc1cccnc1)c1coc(COc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)C2CC2)CC3)n1 ZINC000034686872 553988896 /nfs/dbraw/zinc/98/88/96/553988896.db2.gz XJOJEXSPMFEZGN-NDEPHWFRSA-N 0 0 526.568 4.602 50 0 KJAARN Cc1cccc([C@@H]2c3cc(OCc4nc(C(=O)NCc5cccnc5)co4)ccc3CCN2C(=O)C2CC2)c1 ZINC000034686879 553989071 /nfs/dbraw/zinc/98/90/71/553989071.db2.gz DOTUNWVRDGTPGR-GDLZYMKVSA-N 0 0 522.605 4.771 50 0 KJAARN Cc1cccc([C@H]2c3cc(OCc4nc(C(=O)NCc5cccnc5)co4)ccc3CCN2C(=O)C2CC2)c1 ZINC000034686880 553989080 /nfs/dbraw/zinc/98/90/80/553989080.db2.gz DOTUNWVRDGTPGR-LJAQVGFWSA-N 0 0 522.605 4.771 50 0 KJAARN COCCN(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034687117 553989099 /nfs/dbraw/zinc/98/90/99/553989099.db2.gz CKNDRBCLMSDPBY-NRFANRHFSA-N 0 0 504.471 4.714 50 0 KJAARN COCCN(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034687118 553989104 /nfs/dbraw/zinc/98/91/04/553989104.db2.gz CKNDRBCLMSDPBY-OAQYLSRUSA-N 0 0 504.471 4.714 50 0 KJAARN CCc1ccccc1NC(=O)N(CCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1 ZINC000034690956 553989191 /nfs/dbraw/zinc/98/91/91/553989191.db2.gz ALLUHJAIHPAVTG-UHFFFAOYSA-N 0 0 523.630 4.611 50 0 KJAARN O=C(Nc1cccc(Cl)c1)N1CCO[C@H](CN2CCCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000034692193 553990352 /nfs/dbraw/zinc/99/03/52/553990352.db2.gz MLBPSRCZDWXOLT-XMMPIXPASA-N 0 0 507.034 4.574 50 0 KJAARN O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](CN2CCCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000034692194 553990476 /nfs/dbraw/zinc/99/04/76/553990476.db2.gz MLBPSRCZDWXOLT-DEOSSOPVSA-N 0 0 507.034 4.574 50 0 KJAARN COc1ccc(Cn2cnc3c2c(=O)n(CCOc2ccccc2)c(=O)n3-c2ccc(C(C)C)cc2)cc1 ZINC000034692750 553990544 /nfs/dbraw/zinc/99/05/44/553990544.db2.gz MYJKKCGZUSNZGU-UHFFFAOYSA-N 0 0 510.594 4.608 50 0 KJAARN COc1ccc(C(=O)Cn2cnc3c2c(=O)n(CCc2ccccc2)c(=O)n3-c2ccc(C(C)C)cc2)cc1 ZINC000034693281 553990630 /nfs/dbraw/zinc/99/06/30/553990630.db2.gz XQJJNZQIANSFPU-UHFFFAOYSA-N 0 0 522.605 4.607 50 0 KJAARN Cc1ccc(C(=O)Cn2cnc3c2c(=O)n(CCc2ccccc2)c(=O)n3-c2ccc(C(C)C)cc2)cc1 ZINC000034693282 553990585 /nfs/dbraw/zinc/99/05/85/553990585.db2.gz JFUBIPKSCUMIAX-UHFFFAOYSA-N 0 0 506.606 4.906 50 0 KJAARN COc1cccc(C(=O)Cn2cnc3c2c(=O)n(CCc2ccccc2)c(=O)n3-c2ccc(C(C)C)cc2)c1 ZINC000034693284 553990641 /nfs/dbraw/zinc/99/06/41/553990641.db2.gz XZPNOKIZSYQKPV-UHFFFAOYSA-N 0 0 522.605 4.607 50 0 KJAARN COc1ccc(C(=O)Cn2cnc3c2c(=O)n(Cc2ccccc2F)c(=O)n3-c2ccc(C(C)C)cc2)cc1 ZINC000034693298 553990592 /nfs/dbraw/zinc/99/05/92/553990592.db2.gz JRAUZFLPDZQYTG-UHFFFAOYSA-N 0 0 526.568 4.551 50 0 KJAARN COc1ccc(Cn2c(=O)c3c(ncn3Cc3ccc(C(C)(C)C)cc3)n(-c3ccc(F)cc3)c2=O)cc1 ZINC000034693699 553990600 /nfs/dbraw/zinc/99/06/00/553990600.db2.gz AJPLSAWOGMMORC-UHFFFAOYSA-N 0 0 512.585 4.891 50 0 KJAARN CC(C)c1ccc(-n2c3ncn(Cc4c(F)cccc4F)c3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000034693825 553990607 /nfs/dbraw/zinc/99/06/07/553990607.db2.gz WOYZNPJNGNQWLD-UHFFFAOYSA-N 0 0 504.512 4.986 50 0 KJAARN O=c1c2c(ncn2Cc2cccc(C(F)(F)F)c2)n(-c2ccc(F)cc2)c(=O)n1CCc1ccccc1 ZINC000034694161 553990947 /nfs/dbraw/zinc/99/09/47/553990947.db2.gz SHEYCINVKCOTOH-UHFFFAOYSA-N 0 0 508.475 4.798 50 0 KJAARN COc1cccc(-n2c3ncn(Cc4ccc(Cl)c(Cl)c4)c3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000034694619 553990843 /nfs/dbraw/zinc/99/08/43/553990843.db2.gz SLCMKALINLBOBJ-UHFFFAOYSA-N 0 0 507.377 4.761 50 0 KJAARN COc1ccccc1-n1c2ncn(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000034694819 553990930 /nfs/dbraw/zinc/99/09/30/553990930.db2.gz RJHKOOWNAIGCIV-UHFFFAOYSA-N 0 0 507.377 4.761 50 0 KJAARN O=c1c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000034694962 553990822 /nfs/dbraw/zinc/99/08/22/553990822.db2.gz ZECDSMZWDIIFBU-KRWDZBQOSA-N 0 0 505.789 4.536 50 0 KJAARN O=c1c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2ccc(Cl)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000034694964 553990873 /nfs/dbraw/zinc/99/08/73/553990873.db2.gz ZECDSMZWDIIFBU-QGZVFWFLSA-N 0 0 505.789 4.536 50 0 KJAARN COc1ccccc1Cn1cnc2c1c(=O)n(CCOc1ccccc1)c(=O)n2-c1ccc(C(C)C)cc1 ZINC000034695036 553990941 /nfs/dbraw/zinc/99/09/41/553990941.db2.gz ANLAWLJUROLRSO-UHFFFAOYSA-N 0 0 510.594 4.608 50 0 KJAARN C[C@@H]1CN(c2nc3cc(Cl)ccc3c3nnc(Cc4ccccc4)n32)CCN1C(=O)c1cccs1 ZINC000034700006 553992651 /nfs/dbraw/zinc/99/26/51/553992651.db2.gz MLVIGGIBVLVCGZ-QGZVFWFLSA-N 0 0 503.031 4.934 50 0 KJAARN C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(Cc4ccccc4)n32)CCN1C(=O)c1cccs1 ZINC000034700007 553992645 /nfs/dbraw/zinc/99/26/45/553992645.db2.gz MLVIGGIBVLVCGZ-KRWDZBQOSA-N 0 0 503.031 4.934 50 0 KJAARN Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCN(C(=O)Cc5cccs5)CC4)n23)c1 ZINC000034700302 553992698 /nfs/dbraw/zinc/99/26/98/553992698.db2.gz DJTXYNWIFSJLGN-UHFFFAOYSA-N 0 0 503.031 4.859 50 0 KJAARN Cc1ccc2nc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)n3c(nnc3C3CCCCC3)c2c1 ZINC000034700398 553992669 /nfs/dbraw/zinc/99/26/69/553992669.db2.gz UBVVVZFTMCFHRM-UHFFFAOYSA-N 0 0 506.614 4.539 50 0 KJAARN COc1cccc(CC(=O)N2CCCN(c3nc4ccccc4c4nnc(-c5ccc(C)cc5)n43)CC2)c1 ZINC000034700690 553992897 /nfs/dbraw/zinc/99/28/97/553992897.db2.gz OYZSRZDQJSJDSA-UHFFFAOYSA-N 0 0 506.610 4.543 50 0 KJAARN COCCCN(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F ZINC000034704689 553993450 /nfs/dbraw/zinc/99/34/50/553993450.db2.gz NBNLWAXATUIJQR-UHFFFAOYSA-N 0 0 513.591 4.715 50 0 KJAARN O=C(Cc1cccs1)N1CCCN(c2nc3ccccc3c3nnc(-c4ccccc4Cl)n32)CC1 ZINC000034706395 553993657 /nfs/dbraw/zinc/99/36/57/553993657.db2.gz RHASMLGILATUER-UHFFFAOYSA-N 0 0 503.031 4.941 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccc(OC)cc4)n32)CC1)c1ccccc1 ZINC000034707184 553993649 /nfs/dbraw/zinc/99/36/49/553993649.db2.gz OSHKJOISKPYXQR-DEOSSOPVSA-N 0 0 506.610 4.796 50 0 KJAARN Cc1cccc(S(=O)(=O)N2CCN(c3nc4ccccc4c4nnc(C5CCCCC5)n43)C[C@@H]2C)c1 ZINC000034707874 553993943 /nfs/dbraw/zinc/99/39/43/553993943.db2.gz IFHAWWRQMHFJKV-FQEVSTJZSA-N 0 0 504.660 4.533 50 0 KJAARN Cc1cccc(S(=O)(=O)N2CCCN(c3nc4ccccc4c4nnc(C5CCCCC5)n43)CC2)c1 ZINC000034707875 553993862 /nfs/dbraw/zinc/99/38/62/553993862.db2.gz CIKVVKFITSIJIZ-UHFFFAOYSA-N 0 0 504.660 4.535 50 0 KJAARN Cc1cccc([C@@H]2c3cc(OCC(=O)NCCc4ccccn4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708146 553993986 /nfs/dbraw/zinc/99/39/86/553993986.db2.gz NDBFTSBNRRFXTP-WJOKGBTCSA-N 0 0 505.618 4.916 50 0 KJAARN Cc1cccc([C@H]2c3cc(OCC(=O)NCCc4ccccn4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708147 553993894 /nfs/dbraw/zinc/99/38/94/553993894.db2.gz NDBFTSBNRRFXTP-HKBQPEDESA-N 0 0 505.618 4.916 50 0 KJAARN COc1cccc(NC(=O)N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C[C@@H](c3cccc(C)c3)C2)c1 ZINC000034710498 553994810 /nfs/dbraw/zinc/99/48/10/553994810.db2.gz DKEZIWJWYCKTLI-PKTZIBPZSA-N 0 0 501.583 4.686 50 0 KJAARN COc1cccc(NC(=O)N2C[C@@H](c3cccc(C)c3)C[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)c1 ZINC000034710499 553994925 /nfs/dbraw/zinc/99/49/25/553994925.db2.gz DKEZIWJWYCKTLI-GOTSBHOMSA-N 0 0 501.583 4.686 50 0 KJAARN COc1cccc(NC(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)C[C@@H](c3cccc(C)c3)C2)c1 ZINC000034710500 553994900 /nfs/dbraw/zinc/99/49/00/553994900.db2.gz DKEZIWJWYCKTLI-DHIUTWEWSA-N 0 0 501.583 4.686 50 0 KJAARN COc1cccc(NC(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)C[C@H](c3cccc(C)c3)C2)c1 ZINC000034710501 553994956 /nfs/dbraw/zinc/99/49/56/553994956.db2.gz DKEZIWJWYCKTLI-XZOQPEGZSA-N 0 0 501.583 4.686 50 0 KJAARN COc1cc(-c2nc(C(=O)N3CCN(C(C)=O)CC3)cs2)ccc1OCc1ccccc1C(F)(F)F ZINC000034712597 553995097 /nfs/dbraw/zinc/99/50/97/553995097.db2.gz NEPKWJBOSREZSM-UHFFFAOYSA-N 0 0 519.545 4.721 50 0 KJAARN CCOC(=O)CCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)Cc1ccco1 ZINC000034713828 553995077 /nfs/dbraw/zinc/99/50/77/553995077.db2.gz KPSNOONOEWSXLT-UHFFFAOYSA-N 0 0 518.545 4.582 50 0 KJAARN Cc1cccc([C@@H]2c3cc(OCc4nc(C(=O)NC[C@@H]5CCCO5)cs4)ccc3CCN2C(=O)C2CC2)c1 ZINC000034713962 553995140 /nfs/dbraw/zinc/99/51/40/553995140.db2.gz AKZSNOGVXLDYGI-RBJSKKJNSA-N 0 0 531.678 4.823 50 0 KJAARN Cc1cccc([C@H]2c3cc(OCc4nc(C(=O)NC[C@@H]5CCCO5)cs4)ccc3CCN2C(=O)C2CC2)c1 ZINC000034713963 553995037 /nfs/dbraw/zinc/99/50/37/553995037.db2.gz AKZSNOGVXLDYGI-CUBQBAPOSA-N 0 0 531.678 4.823 50 0 KJAARN Cc1cccc([C@@H]2c3cc(OCc4nc(C(=O)NC[C@H]5CCCO5)cs4)ccc3CCN2C(=O)C2CC2)c1 ZINC000034713965 553995059 /nfs/dbraw/zinc/99/50/59/553995059.db2.gz AKZSNOGVXLDYGI-UFHPHHKVSA-N 0 0 531.678 4.823 50 0 KJAARN Cc1cccc([C@H]2c3cc(OCc4nc(C(=O)NC[C@H]5CCCO5)cs4)ccc3CCN2C(=O)C2CC2)c1 ZINC000034713967 553995093 /nfs/dbraw/zinc/99/50/93/553995093.db2.gz AKZSNOGVXLDYGI-YWEHKCAJSA-N 0 0 531.678 4.823 50 0 KJAARN Cc1cc([C@@H]2CC[C@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716500 553995323 /nfs/dbraw/zinc/99/53/23/553995323.db2.gz TXURZOWAIFSENX-ZCYQVOJMSA-N 0 0 503.574 4.842 50 0 KJAARN Cc1cc([C@H]2CC[C@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716503 553995346 /nfs/dbraw/zinc/99/53/46/553995346.db2.gz TXURZOWAIFSENX-UKILVPOCSA-N 0 0 503.574 4.842 50 0 KJAARN Cc1cc([C@@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716505 553995384 /nfs/dbraw/zinc/99/53/84/553995384.db2.gz TXURZOWAIFSENX-NOZRDPDXSA-N 0 0 503.574 4.842 50 0 KJAARN Cc1cc([C@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)NCc2ccccc2)ccc1F ZINC000034716508 553995705 /nfs/dbraw/zinc/99/57/05/553995705.db2.gz TXURZOWAIFSENX-ILBGXUMGSA-N 0 0 503.574 4.842 50 0 KJAARN COCCN1CCN(C(=O)c2csc(-c3ccc(OCc4cccc(C(F)(F)F)c4)cc3)n2)CC1 ZINC000034717223 553995888 /nfs/dbraw/zinc/99/58/88/553995888.db2.gz DADVPSIILWSWKG-UHFFFAOYSA-N 0 0 505.562 4.812 50 0 KJAARN CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)C1CCCC1 ZINC000034719097 553996189 /nfs/dbraw/zinc/99/61/89/553996189.db2.gz XQURTCJGVNOEEK-UHFFFAOYSA-N 0 0 514.663 4.622 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC2CC2)C(=O)Cc2ccccc2)cc1OC ZINC000034719609 553996138 /nfs/dbraw/zinc/99/61/38/553996138.db2.gz ALUBVYUJULULBZ-UHFFFAOYSA-N 0 0 504.627 4.658 50 0 KJAARN CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1O ZINC000034720953 553996234 /nfs/dbraw/zinc/99/62/34/553996234.db2.gz WFXDUSOWTDPMKL-XUCDNDAHSA-N 0 0 511.615 4.725 50 0 KJAARN COCCN1CCN(C(=O)c2csc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3F)n2)CC1 ZINC000034722926 553996481 /nfs/dbraw/zinc/99/64/81/553996481.db2.gz ZQBOUHMUNXGUAM-UHFFFAOYSA-N 0 0 523.552 4.951 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(C(=O)c3cccc(F)c3)CC2)cc1OC ZINC000034723554 553996426 /nfs/dbraw/zinc/99/64/26/553996426.db2.gz NBISQEXSKQSNEW-UHFFFAOYSA-N 0 0 505.590 4.539 50 0 KJAARN COc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)NCCCc3ccccc3)CC2)cc1OC ZINC000034724520 553996410 /nfs/dbraw/zinc/99/64/10/553996410.db2.gz JPEKXPAVGJFFCK-UHFFFAOYSA-N 0 0 501.627 4.790 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000034724768 553996438 /nfs/dbraw/zinc/99/64/38/553996438.db2.gz PTPHJHWBIKOVNC-UHFFFAOYSA-N 0 0 508.018 4.767 50 0 KJAARN COc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC000034724927 553996729 /nfs/dbraw/zinc/99/67/29/553996729.db2.gz XGDRKRDRLXGIFT-UHFFFAOYSA-N 0 0 508.018 4.767 50 0 KJAARN COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CCN(C(=O)Nc4ccccc4)CC3)CC2)c1 ZINC000034725236 553996811 /nfs/dbraw/zinc/99/68/11/553996811.db2.gz VBTZGTSOXZRYKG-UHFFFAOYSA-N 0 0 513.642 4.773 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000034728720 553997135 /nfs/dbraw/zinc/99/71/35/553997135.db2.gz UDBDVCXNUBTWCE-UHFFFAOYSA-N 0 0 505.590 4.539 50 0 KJAARN COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CCN(C(=O)c4ccc(F)cc4)CC3)CC2)c1 ZINC000034729611 553997433 /nfs/dbraw/zinc/99/74/33/553997433.db2.gz PXWBGIUQRBKJQF-UHFFFAOYSA-N 0 0 516.617 4.520 50 0 KJAARN Cc1ccc(C(=O)NCc2ccccc2F)c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000034729828 553997416 /nfs/dbraw/zinc/99/74/16/553997416.db2.gz MIPBYOGWTQBYAA-UHFFFAOYSA-N 0 0 502.011 4.681 50 0 KJAARN COc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000034729842 553997354 /nfs/dbraw/zinc/99/73/54/553997354.db2.gz IZCPFFRNFISQOG-UHFFFAOYSA-N 0 0 514.047 4.550 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034729852 553997344 /nfs/dbraw/zinc/99/73/44/553997344.db2.gz PZXIXPDXDFVTCY-UHFFFAOYSA-N 0 0 514.047 4.550 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000034736497 553998199 /nfs/dbraw/zinc/99/81/99/553998199.db2.gz ZQGYOLXXJCKPMS-GOOXQAOHSA-N 0 0 502.617 4.652 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1cccs1 ZINC000034736499 553998131 /nfs/dbraw/zinc/99/81/31/553998131.db2.gz ZQGYOLXXJCKPMS-KZVLXBEFSA-N 0 0 502.617 4.652 50 0 KJAARN CN1OC[C@@H](S(=O)(=O)NCc2cccc(C(F)(F)F)c2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000034738944 553998510 /nfs/dbraw/zinc/99/85/10/553998510.db2.gz XZXKPIYOJXUXGK-DNQXCXABSA-N 0 0 506.546 4.691 50 0 KJAARN CN1OC[C@@H](S(=O)(=O)NCc2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000034738945 553998527 /nfs/dbraw/zinc/99/85/27/553998527.db2.gz XZXKPIYOJXUXGK-RPWUZVMVSA-N 0 0 506.546 4.691 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000034746750 553998758 /nfs/dbraw/zinc/99/87/58/553998758.db2.gz YKBKMZGTVSOQOD-NDBXHCKUSA-N 0 0 517.507 4.855 50 0 KJAARN COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)NCc2ccccc2)C1 ZINC000034755311 553998818 /nfs/dbraw/zinc/99/88/18/553998818.db2.gz KBIDJVJSIOMTKH-FTJBHMTQSA-N 0 0 503.618 4.817 50 0 KJAARN COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)CN(C(=O)NCc2ccccc2)C1 ZINC000034755312 553998730 /nfs/dbraw/zinc/99/87/30/553998730.db2.gz KBIDJVJSIOMTKH-UIOOFZCWSA-N 0 0 503.618 4.817 50 0 KJAARN COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)NCc2ccccc2)C1 ZINC000034755313 553998837 /nfs/dbraw/zinc/99/88/37/553998837.db2.gz KBIDJVJSIOMTKH-CLJLJLNGSA-N 0 0 503.618 4.817 50 0 KJAARN COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)CN(C(=O)NCc2ccccc2)C1 ZINC000034755314 553999094 /nfs/dbraw/zinc/99/90/94/553999094.db2.gz KBIDJVJSIOMTKH-IZZNHLLZSA-N 0 0 503.618 4.817 50 0 KJAARN COc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000034755553 553998994 /nfs/dbraw/zinc/99/89/94/553998994.db2.gz LLVQFMFEBYXIDN-UHFFFAOYSA-N 0 0 500.521 4.691 50 0 KJAARN COc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000034755570 553999251 /nfs/dbraw/zinc/99/92/51/553999251.db2.gz RXALBRPQUUUASJ-UHFFFAOYSA-N 0 0 513.564 4.606 50 0 KJAARN COc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000034755592 553999026 /nfs/dbraw/zinc/99/90/26/553999026.db2.gz PCYZRQBOWHAYRD-UHFFFAOYSA-N 0 0 500.521 4.691 50 0 KJAARN COc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1CN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000034755620 553999077 /nfs/dbraw/zinc/99/90/77/553999077.db2.gz IZAPQTXXFVMSMB-UHFFFAOYSA-N 0 0 513.564 4.606 50 0 KJAARN COc1cccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cc(OC)c(OC)c(OC)c2)CC3)c1 ZINC000034755844 553999073 /nfs/dbraw/zinc/99/90/73/553999073.db2.gz OUUPEUAGCFJDBC-UHFFFAOYSA-N 0 0 520.630 4.852 50 0 KJAARN COc1cc(CN2CCc3nc(N4CCCCC4)nc(Oc4cccc(F)c4)c3C2)cc(OC)c1OC ZINC000034756036 553999245 /nfs/dbraw/zinc/99/92/45/553999245.db2.gz 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/nfs/dbraw/zinc/00/37/50/554003750.db2.gz IZDHWESBNYOCBC-UHFFFAOYSA-N 0 0 504.038 4.690 50 0 KJAARN CCCCS(=O)(=O)N1CCCN(c2nc(CCC(C)C)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000034769234 554003762 /nfs/dbraw/zinc/00/37/62/554003762.db2.gz CSDGAEHZSUTHLF-UHFFFAOYSA-N 0 0 519.115 4.700 50 0 KJAARN Cc1ccc2c(c1)N(Cc1ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc1)C(=O)CO2 ZINC000034780878 554003781 /nfs/dbraw/zinc/00/37/81/554003781.db2.gz CMPNLHCKJZYHOZ-UHFFFAOYSA-N 0 0 509.528 4.902 50 0 KJAARN COc1ccc(NC(=O)N(CC(=O)N(Cc2cccs2)Cc2ccc3c(c2)OCO3)C2CC2)c(OC)c1 ZINC000034782111 554004076 /nfs/dbraw/zinc/00/40/76/554004076.db2.gz RVSPILVAJUPUCE-UHFFFAOYSA-N 0 0 523.611 4.719 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000034786951 554004315 /nfs/dbraw/zinc/00/43/15/554004315.db2.gz MKEHNZATCFOGHZ-RUZDIDTESA-N 0 0 514.478 4.987 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000034786953 554004581 /nfs/dbraw/zinc/00/45/81/554004581.db2.gz MKEHNZATCFOGHZ-VWLOTQADSA-N 0 0 514.478 4.987 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787058 554004547 /nfs/dbraw/zinc/00/45/47/554004547.db2.gz OJRFSNAMOAOJOR-NDEPHWFRSA-N 0 0 501.696 4.978 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787061 554004521 /nfs/dbraw/zinc/00/45/21/554004521.db2.gz OJRFSNAMOAOJOR-MUUNZHRXSA-N 0 0 501.696 4.978 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787103 554004395 /nfs/dbraw/zinc/00/43/95/554004395.db2.gz GXSWPRCUJZQVDS-LJAQVGFWSA-N 0 0 517.695 4.859 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787106 554004275 /nfs/dbraw/zinc/00/42/75/554004275.db2.gz GXSWPRCUJZQVDS-GDLZYMKVSA-N 0 0 517.695 4.859 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787140 554004407 /nfs/dbraw/zinc/00/44/07/554004407.db2.gz KQJFUINLLZVNML-RUZDIDTESA-N 0 0 513.585 4.699 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787143 554004479 /nfs/dbraw/zinc/00/44/79/554004479.db2.gz KQJFUINLLZVNML-VWLOTQADSA-N 0 0 513.585 4.699 50 0 KJAARN O=C(CCC1CCCC1)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787425 554004468 /nfs/dbraw/zinc/00/44/68/554004468.db2.gz PVPDLEQZZKGQGW-HHHXNRCGSA-N 0 0 500.108 4.990 50 0 KJAARN O=C(CCC1CCCC1)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787429 554004431 /nfs/dbraw/zinc/00/44/31/554004431.db2.gz PVPDLEQZZKGQGW-MHZLTWQESA-N 0 0 500.108 4.990 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000034787466 554004888 /nfs/dbraw/zinc/00/48/88/554004888.db2.gz ZHHAXZIBUVGATN-MHZLTWQESA-N 0 0 508.087 4.896 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000034787469 554004849 /nfs/dbraw/zinc/00/48/49/554004849.db2.gz ZHHAXZIBUVGATN-HHHXNRCGSA-N 0 0 508.087 4.896 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787506 554004925 /nfs/dbraw/zinc/00/49/25/554004925.db2.gz YVTKVMPILIRWFG-AREMUKBSSA-N 0 0 512.050 4.863 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787509 554004775 /nfs/dbraw/zinc/00/47/75/554004775.db2.gz YVTKVMPILIRWFG-SANMLTNESA-N 0 0 512.050 4.863 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787531 554005042 /nfs/dbraw/zinc/00/50/42/554005042.db2.gz RSWPGJSCTOMGEF-AREMUKBSSA-N 0 0 500.108 4.990 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787534 554004788 /nfs/dbraw/zinc/00/47/88/554004788.db2.gz RSWPGJSCTOMGEF-SANMLTNESA-N 0 0 500.108 4.990 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787547 554004763 /nfs/dbraw/zinc/00/47/63/554004763.db2.gz KUYPAQNGDZYULJ-DEOSSOPVSA-N 0 0 500.089 4.785 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787550 554004722 /nfs/dbraw/zinc/00/47/22/554004722.db2.gz KUYPAQNGDZYULJ-XMMPIXPASA-N 0 0 500.089 4.785 50 0 KJAARN O=C(Cc1cccs1)N1CCCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787566 554004966 /nfs/dbraw/zinc/00/49/66/554004966.db2.gz CLESWMIYSSHFAB-SANMLTNESA-N 0 0 514.116 4.714 50 0 KJAARN O=C(Cc1cccs1)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787569 554004679 /nfs/dbraw/zinc/00/46/79/554004679.db2.gz CLESWMIYSSHFAB-AREMUKBSSA-N 0 0 514.116 4.714 50 0 KJAARN O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787590 554004670 /nfs/dbraw/zinc/00/46/70/554004670.db2.gz SWDPADAGIKANGB-NDEPHWFRSA-N 0 0 526.077 4.792 50 0 KJAARN O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787593 554004913 /nfs/dbraw/zinc/00/49/13/554004913.db2.gz SWDPADAGIKANGB-MUUNZHRXSA-N 0 0 526.077 4.792 50 0 KJAARN CC[C@H](C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034787753 554004950 /nfs/dbraw/zinc/00/49/50/554004950.db2.gz GLBOXORPOCNQSB-OUTSHDOLSA-N 0 0 501.696 4.869 50 0 KJAARN CC[C@@H](C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034787757 554004899 /nfs/dbraw/zinc/00/48/99/554004899.db2.gz GLBOXORPOCNQSB-GIGWZHCTSA-N 0 0 501.696 4.869 50 0 KJAARN CCc1ccc(C(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034788112 554005798 /nfs/dbraw/zinc/00/57/98/554005798.db2.gz DIMBSDAAOMZFRW-LJAQVGFWSA-N 0 0 501.696 4.941 50 0 KJAARN CCc1ccc(C(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034788116 554005904 /nfs/dbraw/zinc/00/59/04/554005904.db2.gz DIMBSDAAOMZFRW-GDLZYMKVSA-N 0 0 501.696 4.941 50 0 KJAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788148 554005759 /nfs/dbraw/zinc/00/57/59/554005759.db2.gz YELNLGBGSDWOKL-PVTPYKNESA-N 0 0 513.707 4.869 50 0 KJAARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788153 554005888 /nfs/dbraw/zinc/00/58/88/554005888.db2.gz YELNLGBGSDWOKL-DURBRWELSA-N 0 0 513.707 4.869 50 0 KJAARN CCc1ccc(C(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788713 554006227 /nfs/dbraw/zinc/00/62/27/554006227.db2.gz LHRCFGGXJRBESS-NDEPHWFRSA-N 0 0 505.659 4.772 50 0 KJAARN CCc1ccc(C(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788715 554006216 /nfs/dbraw/zinc/00/62/16/554006216.db2.gz LHRCFGGXJRBESS-MUUNZHRXSA-N 0 0 505.659 4.772 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788755 554006164 /nfs/dbraw/zinc/00/61/64/554006164.db2.gz NVGWBTUCNHPKKW-ZEZDXWPOSA-N 0 0 517.670 4.699 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788760 554006350 /nfs/dbraw/zinc/00/63/50/554006350.db2.gz NVGWBTUCNHPKKW-HFASVGIHSA-N 0 0 517.670 4.699 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000034788823 554006152 /nfs/dbraw/zinc/00/61/52/554006152.db2.gz COGMTWKMKFIFQS-RUZDIDTESA-N 0 0 513.038 4.864 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000034788827 554006273 /nfs/dbraw/zinc/00/62/73/554006273.db2.gz COGMTWKMKFIFQS-VWLOTQADSA-N 0 0 513.038 4.864 50 0 KJAARN Cc1ccc(NC(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788896 554006180 /nfs/dbraw/zinc/00/61/80/554006180.db2.gz PRGLFWIDHPFHMU-MHZLTWQESA-N 0 0 506.647 4.910 50 0 KJAARN Cc1ccc(NC(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788899 554006295 /nfs/dbraw/zinc/00/62/95/554006295.db2.gz PRGLFWIDHPFHMU-HHHXNRCGSA-N 0 0 506.647 4.910 50 0 KJAARN Cc1ccccc1NC(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788942 554006646 /nfs/dbraw/zinc/00/66/46/554006646.db2.gz KLHUKSRLAXSBNK-MHZLTWQESA-N 0 0 506.647 4.910 50 0 KJAARN Cc1ccccc1NC(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788947 554006672 /nfs/dbraw/zinc/00/66/72/554006672.db2.gz KLHUKSRLAXSBNK-HHHXNRCGSA-N 0 0 506.647 4.910 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](C(=O)N3CCC(C)CC3)C(C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791135 554006661 /nfs/dbraw/zinc/00/66/61/554006661.db2.gz NQQNGUVEBPVJPP-NSOVKSMOSA-N 0 0 530.669 4.945 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](C(=O)N3CCC(C)CC3)C(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791138 554006758 /nfs/dbraw/zinc/00/67/58/554006758.db2.gz NQQNGUVEBPVJPP-IZLXSDGUSA-N 0 0 530.669 4.945 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCC(C)CC3)C(C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791141 554006693 /nfs/dbraw/zinc/00/66/93/554006693.db2.gz NQQNGUVEBPVJPP-WUFINQPMSA-N 0 0 530.669 4.945 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCC(C)CC3)C(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791144 554006640 /nfs/dbraw/zinc/00/66/40/554006640.db2.gz NQQNGUVEBPVJPP-VSGBNLITSA-N 0 0 530.669 4.945 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](C(=O)NCCC(C)C)C(C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791147 554006628 /nfs/dbraw/zinc/00/66/28/554006628.db2.gz SXIYZZMNESAEOE-SVBPBHIXSA-N 0 0 518.658 4.848 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](C(=O)NCCC(C)C)C(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791149 554006718 /nfs/dbraw/zinc/00/67/18/554006718.db2.gz SXIYZZMNESAEOE-SXOMAYOGSA-N 0 0 518.658 4.848 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCCC(C)C)C(C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791151 554006748 /nfs/dbraw/zinc/00/67/48/554006748.db2.gz SXIYZZMNESAEOE-RRPNLBNLSA-N 0 0 518.658 4.848 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCCC(C)C)C(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791153 554006779 /nfs/dbraw/zinc/00/67/79/554006779.db2.gz SXIYZZMNESAEOE-KAYWLYCHSA-N 0 0 518.658 4.848 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NC(C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791187 554006665 /nfs/dbraw/zinc/00/66/65/554006665.db2.gz CCHZOJRYURZHAI-OZXSUGGESA-N 0 0 504.631 4.601 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NC(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791189 554006768 /nfs/dbraw/zinc/00/67/68/554006768.db2.gz CCHZOJRYURZHAI-JYFHCDHNSA-N 0 0 504.631 4.601 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NC(C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791191 554006732 /nfs/dbraw/zinc/00/67/32/554006732.db2.gz CCHZOJRYURZHAI-BVAGGSTKSA-N 0 0 504.631 4.601 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NC(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791193 554006700 /nfs/dbraw/zinc/00/67/00/554006700.db2.gz CCHZOJRYURZHAI-ZEQKJWHPSA-N 0 0 504.631 4.601 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NCC3CC3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791229 554006868 /nfs/dbraw/zinc/00/68/68/554006868.db2.gz QYIBOOXHJMBPGF-IGKIAQTJSA-N 0 0 516.642 4.602 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NCC3CC3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000034791231 554006900 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CCCCS(=O)(=O)N1CCCN(c2nc(CCC)nc3onc(-c4cccc(C(F)(F)F)c4)c32)CC1 ZINC000034810736 554010262 /nfs/dbraw/zinc/01/02/62/554010262.db2.gz ZBGXKCBNCHWZOZ-UHFFFAOYSA-N 0 0 525.597 4.898 50 0 KJAARN COc1cc(CN2CCn3nc(C(=O)NCCC(c4ccccc4)c4ccccc4)cc3C2=O)cc(OC)c1 ZINC000034811359 554010481 /nfs/dbraw/zinc/01/04/81/554010481.db2.gz AUBNIDAQUCKJKA-UHFFFAOYSA-N 0 0 524.621 4.508 50 0 KJAARN COc1ccc2c(c1)C(N1CCN(S(=O)(=O)c3ccccc3)CC1)=Nc1cc(C(F)(F)F)ccc1O2 ZINC000034814695 554011876 /nfs/dbraw/zinc/01/18/76/554011876.db2.gz MBKMSUHWYPEBTK-UHFFFAOYSA-N 0 0 517.529 4.905 50 0 KJAARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000034829642 554012223 /nfs/dbraw/zinc/01/22/23/554012223.db2.gz XEVWTVBIUYVMIN-WINIVTDRSA-N 0 0 524.086 4.731 50 0 KJAARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000034829643 554012057 /nfs/dbraw/zinc/01/20/57/554012057.db2.gz XEVWTVBIUYVMIN-PPHZAIPVSA-N 0 0 524.086 4.731 50 0 KJAARN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000034829665 554012490 /nfs/dbraw/zinc/01/24/90/554012490.db2.gz YYVQOMKVKDVQPK-VPYPWEPUSA-N 0 0 511.732 4.980 50 0 KJAARN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000034829667 554012500 /nfs/dbraw/zinc/01/25/00/554012500.db2.gz YYVQOMKVKDVQPK-WENCSYSZSA-N 0 0 511.732 4.980 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000034829684 554012622 /nfs/dbraw/zinc/01/26/22/554012622.db2.gz QOTJJZOGZBEEPZ-LGGPFLRQSA-N 0 0 517.695 4.640 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000034829685 554012646 /nfs/dbraw/zinc/01/26/46/554012646.db2.gz QOTJJZOGZBEEPZ-PBBNMVCDSA-N 0 0 517.695 4.640 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000034829770 554012515 /nfs/dbraw/zinc/01/25/15/554012515.db2.gz MWRUVEPUGSTJLS-ZTOMLWHTSA-N 0 0 501.696 4.940 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829771 554012525 /nfs/dbraw/zinc/01/25/25/554012525.db2.gz MWRUVEPUGSTJLS-MNNSJKJDSA-N 0 0 501.696 4.940 50 0 KJAARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)[C@H](C)C2)cc1 ZINC000034829780 554012561 /nfs/dbraw/zinc/01/25/61/554012561.db2.gz RPPVWSNNGOQVHB-LOKNXAPISA-N 0 0 513.707 4.867 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000034829848 554012923 /nfs/dbraw/zinc/01/29/23/554012923.db2.gz LASBGOTXSQHRTQ-ZTOMLWHTSA-N 0 0 501.696 4.940 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000034829849 554013187 /nfs/dbraw/zinc/01/31/87/554013187.db2.gz LASBGOTXSQHRTQ-MNNSJKJDSA-N 0 0 501.696 4.940 50 0 KJAARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000034829866 554013172 /nfs/dbraw/zinc/01/31/72/554013172.db2.gz ULDPECOIJNHTRZ-DWXRJYCRSA-N 0 0 512.050 4.861 50 0 KJAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000034829867 554012958 /nfs/dbraw/zinc/01/29/58/554012958.db2.gz ULDPECOIJNHTRZ-QYBDOPJKSA-N 0 0 512.050 4.861 50 0 KJAARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034829868 554013252 /nfs/dbraw/zinc/01/32/52/554013252.db2.gz FRSITMUKKSXEAR-DWXRJYCRSA-N 0 0 512.050 4.861 50 0 KJAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034829869 554013202 /nfs/dbraw/zinc/01/32/02/554013202.db2.gz FRSITMUKKSXEAR-QYBDOPJKSA-N 0 0 512.050 4.861 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000034829966 554013714 /nfs/dbraw/zinc/01/37/14/554013714.db2.gz YIFYXZPYPXPKJI-DCFHFQCYSA-N 0 0 506.647 4.908 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000034829967 554013620 /nfs/dbraw/zinc/01/36/20/554013620.db2.gz YIFYXZPYPXPKJI-HRFSGMKKSA-N 0 0 506.647 4.908 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034829968 554013937 /nfs/dbraw/zinc/01/39/37/554013937.db2.gz ZXLCILVQXQKEKX-DCFHFQCYSA-N 0 0 506.647 4.908 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034829969 554014113 /nfs/dbraw/zinc/01/41/13/554014113.db2.gz ZXLCILVQXQKEKX-HRFSGMKKSA-N 0 0 506.647 4.908 50 0 KJAARN COc1ccccc1NC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034829976 554013925 /nfs/dbraw/zinc/01/39/25/554013925.db2.gz IIYHWCQIZSDOFP-WINIVTDRSA-N 0 0 522.646 4.608 50 0 KJAARN COc1ccccc1NC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034829977 554014104 /nfs/dbraw/zinc/01/41/04/554014104.db2.gz IIYHWCQIZSDOFP-PPHZAIPVSA-N 0 0 522.646 4.608 50 0 KJAARN COc1cccc(NC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000034829978 554013915 /nfs/dbraw/zinc/01/39/15/554013915.db2.gz WLRDEZBETMPNGR-WINIVTDRSA-N 0 0 522.646 4.608 50 0 KJAARN COc1cccc(NC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000034829979 554013827 /nfs/dbraw/zinc/01/38/27/554013827.db2.gz WLRDEZBETMPNGR-PPHZAIPVSA-N 0 0 522.646 4.608 50 0 KJAARN Cc1ccccc1NC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034829980 554013961 /nfs/dbraw/zinc/01/39/61/554013961.db2.gz YDGUXYLNCJGVGF-DCFHFQCYSA-N 0 0 506.647 4.908 50 0 KJAARN Cc1ccccc1NC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034829981 554013902 /nfs/dbraw/zinc/01/39/02/554013902.db2.gz YDGUXYLNCJGVGF-HRFSGMKKSA-N 0 0 506.647 4.908 50 0 KJAARN O=C(CN1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000034831415 554017216 /nfs/dbraw/zinc/01/72/16/554017216.db2.gz CIZYTUYBHBBETD-SANMLTNESA-N 0 0 531.726 4.746 50 0 KJAARN O=C(CN1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000034831416 554017313 /nfs/dbraw/zinc/01/73/13/554017313.db2.gz CIZYTUYBHBBETD-AREMUKBSSA-N 0 0 531.726 4.746 50 0 KJAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3csc(Nc4ccc(Cl)c(Cl)c4)n3)CC2)cc1 ZINC000034831629 554017269 /nfs/dbraw/zinc/01/72/69/554017269.db2.gz YGJNBBCBLJLLNB-UHFFFAOYSA-N 0 0 504.443 4.898 50 0 KJAARN O=C(c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000034831669 554017277 /nfs/dbraw/zinc/01/72/77/554017277.db2.gz MYFYPQVLYKZENB-UHFFFAOYSA-N 0 0 517.589 4.750 50 0 KJAARN CC(C)(C)c1cc2nc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc(-c3cccc(F)c3)n2n1 ZINC000034832620 554017933 /nfs/dbraw/zinc/01/79/33/554017933.db2.gz GTIDILBENHSVOG-UHFFFAOYSA-N 0 0 512.589 4.953 50 0 KJAARN CC(C)(C)c1cc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2n1 ZINC000034833358 554018331 /nfs/dbraw/zinc/01/83/31/554018331.db2.gz MSRSOLRKWGMBRY-UHFFFAOYSA-N 0 0 515.589 4.520 50 0 KJAARN CC(C)(C)c1cc2nc(-c3ccccc3F)cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2n1 ZINC000034833430 554018258 /nfs/dbraw/zinc/01/82/58/554018258.db2.gz IOFODHLFTIWFKV-UHFFFAOYSA-N 0 0 515.589 4.520 50 0 KJAARN COc1cccc(-c2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)n3nc(C(C)(C)C)cc3n2)c1 ZINC000034833606 554018354 /nfs/dbraw/zinc/01/83/54/554018354.db2.gz RPIUNWKCJCTGSJ-UHFFFAOYSA-N 0 0 524.625 4.823 50 0 KJAARN COc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)n3nc(-c4ccc(Cl)cc4)cc3n2)cc1 ZINC000034834216 554018643 /nfs/dbraw/zinc/01/86/43/554018643.db2.gz WJWJGJWYMCVROF-UHFFFAOYSA-N 0 0 504.974 4.704 50 0 KJAARN CCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)CCC(=O)OCC ZINC000034834821 554019248 /nfs/dbraw/zinc/01/92/48/554019248.db2.gz ZATBAWUDGZXXRH-UHFFFAOYSA-N 0 0 508.594 4.979 50 0 KJAARN COc1ccc(NC(=O)c2nnc(N3CCN(c4cc(Cl)ccc4OC)CC3)c3ccccc32)cc1 ZINC000034838966 554020745 /nfs/dbraw/zinc/02/07/45/554020745.db2.gz SPHOVMWXBMUODR-UHFFFAOYSA-N 0 0 503.990 4.879 50 0 KJAARN COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)NCCc3ccccc3)c3ccccc32)CC1 ZINC000034838976 554020703 /nfs/dbraw/zinc/02/07/03/554020703.db2.gz BPWHFUINOGZKTB-UHFFFAOYSA-N 0 0 502.018 4.591 50 0 KJAARN COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)N3CCc4ccccc4C3)c3ccccc32)CC1 ZINC000034839021 554020779 /nfs/dbraw/zinc/02/07/79/554020779.db2.gz KUZGATBWCORVBI-UHFFFAOYSA-N 0 0 514.029 4.817 50 0 KJAARN COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)NCc3ccc(F)cc3)c3ccccc32)CC1 ZINC000034839036 554020708 /nfs/dbraw/zinc/02/07/08/554020708.db2.gz UNVNUJWXDCIERJ-UHFFFAOYSA-N 0 0 505.981 4.688 50 0 KJAARN COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)NCc3cccc(F)c3)c3ccccc32)CC1 ZINC000034839074 554020687 /nfs/dbraw/zinc/02/06/87/554020687.db2.gz LKXZGXCGLUQZTA-UHFFFAOYSA-N 0 0 505.981 4.688 50 0 KJAARN O=C(NCCc1ccccn1)c1nnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000034839399 554020719 /nfs/dbraw/zinc/02/07/19/554020719.db2.gz NJNZBWCHEATAKN-UHFFFAOYSA-N 0 0 507.425 4.631 50 0 KJAARN COCCN(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000034846155 554021056 /nfs/dbraw/zinc/02/10/56/554021056.db2.gz NSWWRSXMADYDEV-UHFFFAOYSA-N 0 0 518.676 4.679 50 0 KJAARN CCCN(CC(=O)N(Cc1sccc1C)Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000034848602 554021073 /nfs/dbraw/zinc/02/10/73/554021073.db2.gz YPUHASAZIMVASC-UHFFFAOYSA-N 0 0 513.685 4.645 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccs2)Cc2ccc3c(c2)OCO3)CC(C)C)cc1 ZINC000034849400 554021359 /nfs/dbraw/zinc/02/13/59/554021359.db2.gz WXLSPKZAQGDRLA-UHFFFAOYSA-N 0 0 514.669 4.661 50 0 KJAARN C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1N=C(c3ccc4ccccc4c3)C[C@H]1c1ccccc1)CS2 ZINC000034851948 554021300 /nfs/dbraw/zinc/02/13/00/554021300.db2.gz BBJIQLMAUFEMPQ-QEMZJVQQSA-N 0 0 513.619 4.515 50 0 KJAARN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1N=C(c3ccc4ccccc4c3)C[C@H]1c1ccccc1)CS2 ZINC000034851956 554021243 /nfs/dbraw/zinc/02/12/43/554021243.db2.gz BBJIQLMAUFEMPQ-FVVBACEJSA-N 0 0 513.619 4.515 50 0 KJAARN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000034853977 554021551 /nfs/dbraw/zinc/02/15/51/554021551.db2.gz WMRHHRDZYIPISU-MHZLTWQESA-N 0 0 503.599 4.665 50 0 aggregator KJAARN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000034853980 554021559 /nfs/dbraw/zinc/02/15/59/554021559.db2.gz WMRHHRDZYIPISU-HHHXNRCGSA-N 0 0 503.599 4.665 50 0 aggregator KJAARN Cc1ccc(C(=O)c2c(NC(=O)CN3CCN(C(=O)c4ccccc4)CC3)sc3c2CCCC3)cc1 ZINC000034858824 554021789 /nfs/dbraw/zinc/02/17/89/554021789.db2.gz XQEZYYOWHFSKPG-UHFFFAOYSA-N 0 0 501.652 4.563 50 0 KJAARN CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc(I)c1OC(C)C ZINC000034861577 554021692 /nfs/dbraw/zinc/02/16/92/554021692.db2.gz IKLDJNHHYMXCOX-WOJGMQOQSA-N 0 0 507.324 4.830 50 0 KJAARN COCCN(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)c1cccc(F)c1 ZINC000034869030 554022239 /nfs/dbraw/zinc/02/22/39/554022239.db2.gz BTMDUGFIORNBIO-UHFFFAOYSA-N 0 0 511.493 4.901 50 0 KJAARN CCOc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC ZINC000034881943 554023124 /nfs/dbraw/zinc/02/31/24/554023124.db2.gz MZSHHHYIKHXHLE-SXGWCWSVSA-N 0 0 512.731 4.839 50 0 KJAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 ZINC000034890779 1067138668 /nfs/dbraw/zinc/13/86/68/1067138668.db2.gz BXRQYKPQNIAASR-QOHRORDFSA-N 0 0 502.398 4.817 50 0 KJAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 ZINC000034890780 1067138622 /nfs/dbraw/zinc/13/86/22/1067138622.db2.gz BXRQYKPQNIAASR-MUSGIIIZSA-N 0 0 502.398 4.817 50 0 KJAARN O=C(/C=C\c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000034891159 554023723 /nfs/dbraw/zinc/02/37/23/554023723.db2.gz QGFUSUNISSHGDD-NTMALXAHSA-N 0 0 504.033 4.691 50 0 KJAARN COc1ccc(F)cc1[C@@H]1CCc2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cn2C1 ZINC000034899021 554023865 /nfs/dbraw/zinc/02/38/65/554023865.db2.gz QUZWXCNPECNZDF-QGZVFWFLSA-N 0 0 502.512 4.742 50 0 KJAARN COc1ccc(F)cc1[C@H]1CCc2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cn2C1 ZINC000034899022 554023976 /nfs/dbraw/zinc/02/39/76/554023976.db2.gz QUZWXCNPECNZDF-KRWDZBQOSA-N 0 0 502.512 4.742 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2cn3c(n2)CC[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)CC1 ZINC000034899118 554023869 /nfs/dbraw/zinc/02/38/69/554023869.db2.gz YTEKDAWAORTRMD-AWEZNQCLSA-N 0 0 518.458 4.565 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2cn3c(n2)CC[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)CC1 ZINC000034899119 554024031 /nfs/dbraw/zinc/02/40/31/554024031.db2.gz YTEKDAWAORTRMD-CQSZACIVSA-N 0 0 518.458 4.565 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)C2)cc1 ZINC000034899481 554024177 /nfs/dbraw/zinc/02/41/77/554024177.db2.gz BDUBGXXCODAYMK-WYMJOSIYSA-N 0 0 505.659 4.575 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)C2)cc1 ZINC000034899482 554024139 /nfs/dbraw/zinc/02/41/39/554024139.db2.gz BDUBGXXCODAYMK-ZRJLEYOISA-N 0 0 505.659 4.575 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000034899613 554024147 /nfs/dbraw/zinc/02/41/47/554024147.db2.gz HOOWJYBFHNMBBL-FQLXRVMXSA-N 0 0 523.677 4.915 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000034899620 554024137 /nfs/dbraw/zinc/02/41/37/554024137.db2.gz NVLHYTJEJCKCJP-DHIUTWEWSA-N 0 0 502.442 4.703 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1 ZINC000034899684 554024193 /nfs/dbraw/zinc/02/41/93/554024193.db2.gz JJABKFLCSZKUSX-DHIUTWEWSA-N 0 0 502.442 4.703 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)CC2)cc1 ZINC000034899687 554024191 /nfs/dbraw/zinc/02/41/91/554024191.db2.gz FKLZGNHJYSMVDH-KAYWLYCHSA-N 0 0 505.659 4.575 50 0 KJAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034899776 554024476 /nfs/dbraw/zinc/02/44/76/554024476.db2.gz HDUUBOPOIJDURO-DNQXCXABSA-N 0 0 515.576 4.723 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3C)CC2)cc1 ZINC000034899789 554024530 /nfs/dbraw/zinc/02/45/30/554024530.db2.gz RFBAPZOZDRKUNR-VSGBNLITSA-N 0 0 519.686 4.884 50 0 KJAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000034900066 554024525 /nfs/dbraw/zinc/02/45/25/554024525.db2.gz ITVBYEJOUYGDMN-HUROMRQRSA-N 0 0 519.686 4.702 50 0 KJAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000034900067 554024492 /nfs/dbraw/zinc/02/44/92/554024492.db2.gz ITVBYEJOUYGDMN-XSBVVTFOSA-N 0 0 519.686 4.702 50 0 KJAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000034900083 554024489 /nfs/dbraw/zinc/02/44/89/554024489.db2.gz XHNVJZZSFSXGKP-BIYCFNCWSA-N 0 0 513.638 4.558 50 0 KJAARN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000034900085 554024486 /nfs/dbraw/zinc/02/44/86/554024486.db2.gz XHNVJZZSFSXGKP-KJYTXNCISA-N 0 0 513.638 4.558 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000034900119 554024453 /nfs/dbraw/zinc/02/44/53/554024453.db2.gz NMSCCCXJBTYDJY-NLSFWIRASA-N 0 0 520.432 4.842 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000034900121 554024498 /nfs/dbraw/zinc/02/44/98/554024498.db2.gz NMSCCCXJBTYDJY-JJEOQYAHSA-N 0 0 520.432 4.842 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(F)cc1 ZINC000034900207 554024469 /nfs/dbraw/zinc/02/44/69/554024469.db2.gz ZYRYBZSVXZEIJD-SXSPYAJSSA-N 0 0 520.432 4.842 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(F)cc1 ZINC000034900209 554024516 /nfs/dbraw/zinc/02/45/16/554024516.db2.gz ZYRYBZSVXZEIJD-CDNPAEQRSA-N 0 0 520.432 4.842 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccc(F)cc3)C2)cc1 ZINC000034900214 554024459 /nfs/dbraw/zinc/02/44/59/554024459.db2.gz IWAZRCIKFHISGR-HDYLNDSGSA-N 0 0 507.650 4.833 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccc(F)cc3)C2)cc1 ZINC000034900215 554024548 /nfs/dbraw/zinc/02/45/48/554024548.db2.gz IWAZRCIKFHISGR-DNRSQYFGSA-N 0 0 507.650 4.833 50 0 KJAARN CCCCc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccc(F)cc3)C2)cc1 ZINC000034900246 554024519 /nfs/dbraw/zinc/02/45/19/554024519.db2.gz HLMACJKECPDLQE-WYMJOSIYSA-N 0 0 507.650 4.878 50 0 KJAARN CCCCc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccc(F)cc3)C2)cc1 ZINC000034900247 554024512 /nfs/dbraw/zinc/02/45/12/554024512.db2.gz HLMACJKECPDLQE-ZRJLEYOISA-N 0 0 507.650 4.878 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1)c1ccc(F)cc1 ZINC000034900311 554024714 /nfs/dbraw/zinc/02/47/14/554024714.db2.gz UAEIORMVNLDMSQ-NLSFWIRASA-N 0 0 520.432 4.842 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1)c1ccc(F)cc1 ZINC000034900313 554024711 /nfs/dbraw/zinc/02/47/11/554024711.db2.gz UAEIORMVNLDMSQ-JJEOQYAHSA-N 0 0 520.432 4.842 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccc(F)cc3)C2)cc1 ZINC000034900318 554024737 /nfs/dbraw/zinc/02/47/37/554024737.db2.gz BLUYDJZIYDZSPT-HUROMRQRSA-N 0 0 523.649 4.714 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccc(F)cc3)C2)cc1 ZINC000034900319 554024758 /nfs/dbraw/zinc/02/47/58/554024758.db2.gz BLUYDJZIYDZSPT-XSBVVTFOSA-N 0 0 523.649 4.714 50 0 KJAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034900362 554024772 /nfs/dbraw/zinc/02/47/72/554024772.db2.gz JHAOPZBWQRXWST-KAYWLYCHSA-N 0 0 539.742 4.551 50 0 KJAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000034900560 554024980 /nfs/dbraw/zinc/02/49/80/554024980.db2.gz FDXALRDCCJRMTH-AGILITTLSA-N 0 0 515.576 4.723 50 0 KJAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000034900562 554024972 /nfs/dbraw/zinc/02/49/72/554024972.db2.gz FDXALRDCCJRMTH-TUACAJSNSA-N 0 0 515.576 4.723 50 0 KJAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000034900572 554024993 /nfs/dbraw/zinc/02/49/93/554024993.db2.gz PHCJUHQSRDFFNW-MTDCZJLBSA-N 0 0 505.703 4.607 50 0 KJAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000034900574 554024975 /nfs/dbraw/zinc/02/49/75/554024975.db2.gz PHCJUHQSRDFFNW-QQQXRHFPSA-N 0 0 505.703 4.607 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3C)C2)cc1 ZINC000034900583 554025044 /nfs/dbraw/zinc/02/50/44/554025044.db2.gz YFQAOQVHRAMCAW-HNPKZYAISA-N 0 0 519.686 4.884 50 0 KJAARN CCCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3C)C2)cc1 ZINC000034900584 554025033 /nfs/dbraw/zinc/02/50/33/554025033.db2.gz YFQAOQVHRAMCAW-RYRVMRHHSA-N 0 0 519.686 4.884 50 0 KJAARN CCCCOc1c(I)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000034901692 554025001 /nfs/dbraw/zinc/02/50/01/554025001.db2.gz ZZGZABLVAFTQPP-LDADJPATSA-N 0 0 507.324 4.832 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3noc(-c4ccc(Cl)cc4Cl)n3)CC2)cc1 ZINC000034904961 554025207 /nfs/dbraw/zinc/02/52/07/554025207.db2.gz LLYOGCXQNMUBEW-UHFFFAOYSA-N 0 0 509.459 4.847 50 0 KJAARN O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Br)c1)c1csc(COc2ccccc2)n1 ZINC000034905137 554025456 /nfs/dbraw/zinc/02/54/56/554025456.db2.gz GAAQRFKSHAQKGP-VQTJNVASSA-N 0 0 514.445 4.956 50 0 KJAARN O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Br)c1)c1csc(COc2ccccc2)n1 ZINC000034905138 554025488 /nfs/dbraw/zinc/02/54/88/554025488.db2.gz GAAQRFKSHAQKGP-PMACEKPBSA-N 0 0 514.445 4.956 50 0 KJAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1)c1csc(COc2ccccc2)n1 ZINC000034905139 554025450 /nfs/dbraw/zinc/02/54/50/554025450.db2.gz GAAQRFKSHAQKGP-WOJBJXKFSA-N 0 0 514.445 4.956 50 0 KJAARN O=C(N[C@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1)c1csc(COc2ccccc2)n1 ZINC000034905140 554025422 /nfs/dbraw/zinc/02/54/22/554025422.db2.gz GAAQRFKSHAQKGP-UXHICEINSA-N 0 0 514.445 4.956 50 0 KJAARN Cc1ccc(OCc2nc(C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)COc3ccc(Cl)cc3)cs2)cc1 ZINC000034905305 554025475 /nfs/dbraw/zinc/02/54/75/554025475.db2.gz DGFMEFXRDBOSPR-FCHUYYIVSA-N 0 0 514.047 4.920 50 0 KJAARN Cc1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@@H]3NC(=O)COc3ccc(Cl)cc3)cs2)cc1 ZINC000034905306 554025448 /nfs/dbraw/zinc/02/54/48/554025448.db2.gz DGFMEFXRDBOSPR-VXKWHMMOSA-N 0 0 514.047 4.920 50 0 KJAARN Cc1ccc(OCc2nc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)COc3ccc(Cl)cc3)cs2)cc1 ZINC000034905307 554025479 /nfs/dbraw/zinc/02/54/79/554025479.db2.gz DGFMEFXRDBOSPR-FGZHOGPDSA-N 0 0 514.047 4.920 50 0 KJAARN Cc1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)COc3ccc(Cl)cc3)cs2)cc1 ZINC000034905308 554025454 /nfs/dbraw/zinc/02/54/54/554025454.db2.gz DGFMEFXRDBOSPR-YADHBBJMSA-N 0 0 514.047 4.920 50 0 KJAARN COc1cc(OC)cc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2csc(COc3ccc(C)cc3)n2)c1 ZINC000034905325 554025594 /nfs/dbraw/zinc/02/55/94/554025594.db2.gz BRZQHADRZULFJX-XZOQPEGZSA-N 0 0 509.628 4.519 50 0 KJAARN COc1cc(OC)cc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2csc(COc3ccc(C)cc3)n2)c1 ZINC000034905326 554025603 /nfs/dbraw/zinc/02/56/03/554025603.db2.gz BRZQHADRZULFJX-GOTSBHOMSA-N 0 0 509.628 4.519 50 0 KJAARN COc1cc(OC)cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2csc(COc3ccc(C)cc3)n2)c1 ZINC000034905327 554025613 /nfs/dbraw/zinc/02/56/13/554025613.db2.gz BRZQHADRZULFJX-DHIUTWEWSA-N 0 0 509.628 4.519 50 0 KJAARN COc1cc(OC)cc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2csc(COc3ccc(C)cc3)n2)c1 ZINC000034905328 554025618 /nfs/dbraw/zinc/02/56/18/554025618.db2.gz BRZQHADRZULFJX-PKTZIBPZSA-N 0 0 509.628 4.519 50 0 KJAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCCNC(=O)c3cccc(Br)c3)cs2)c1 ZINC000034905442 554025655 /nfs/dbraw/zinc/02/56/55/554025655.db2.gz YDRNVVLMQMDPFL-UHFFFAOYSA-N 0 0 502.434 4.651 50 0 KJAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCCNC(=O)c3ccc(Br)cc3)cs2)c1 ZINC000034905443 554025606 /nfs/dbraw/zinc/02/56/06/554025606.db2.gz GZOBFNXMGOLRAD-UHFFFAOYSA-N 0 0 502.434 4.651 50 0 KJAARN COc1ccc(CC(=O)NC2CCC(NC(=O)c3csc(COc4cc(C)cc(C)c4)n3)CC2)cc1 ZINC000034905460 554025629 /nfs/dbraw/zinc/02/56/29/554025629.db2.gz ODRLXELRQIHHGS-UHFFFAOYSA-N 0 0 507.656 4.747 50 0 KJAARN COc1cc(OC)cc(C(=O)NC2CCC(NC(=O)c3csc(COc4cc(C)cc(C)c4)n3)CC2)c1 ZINC000034905461 554025626 /nfs/dbraw/zinc/02/56/26/554025626.db2.gz DXJYBVJPOPYUSX-UHFFFAOYSA-N 0 0 523.655 4.827 50 0 KJAARN COc1ccc(CC(=O)N[C@H]2CCCC[C@H]2NC(=O)c2csc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000034905531 554025660 /nfs/dbraw/zinc/02/56/60/554025660.db2.gz OMZUGKNXTZXZSA-BJKOFHAPSA-N 0 0 507.656 4.747 50 0 KJAARN COc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2csc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000034905532 554025649 /nfs/dbraw/zinc/02/56/49/554025649.db2.gz OMZUGKNXTZXZSA-ZEQRLZLVSA-N 0 0 507.656 4.747 50 0 KJAARN COc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2csc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000034905533 554025616 /nfs/dbraw/zinc/02/56/16/554025616.db2.gz OMZUGKNXTZXZSA-DNQXCXABSA-N 0 0 507.656 4.747 50 0 KJAARN COc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2csc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000034905534 554025646 /nfs/dbraw/zinc/02/56/46/554025646.db2.gz OMZUGKNXTZXZSA-RPWUZVMVSA-N 0 0 507.656 4.747 50 0 KJAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c3ccc4c(c3)OCO4)cs2)c1 ZINC000034905543 554025579 /nfs/dbraw/zinc/02/55/79/554025579.db2.gz WIPRSABSRARZDD-LEWJYISDSA-N 0 0 507.612 4.539 50 0 KJAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@H]3CCCC[C@@H]3NC(=O)c3ccc4c(c3)OCO4)cs2)c1 ZINC000034905544 554025585 /nfs/dbraw/zinc/02/55/85/554025585.db2.gz WIPRSABSRARZDD-SFTDATJTSA-N 0 0 507.612 4.539 50 0 KJAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccc4c(c3)OCO4)cs2)c1 ZINC000034905545 554025583 /nfs/dbraw/zinc/02/55/83/554025583.db2.gz WIPRSABSRARZDD-NHCUHLMSSA-N 0 0 507.612 4.539 50 0 KJAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)c3ccc4c(c3)OCO4)cs2)c1 ZINC000034905546 554025653 /nfs/dbraw/zinc/02/56/53/554025653.db2.gz WIPRSABSRARZDD-RTWAWAEBSA-N 0 0 507.612 4.539 50 0 KJAARN COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)c3ccccc3Cl)CC2)cs1 ZINC000034905696 554025909 /nfs/dbraw/zinc/02/59/09/554025909.db2.gz XWVHBNQCIDJQSS-UHFFFAOYSA-N 0 0 500.020 4.855 50 0 KJAARN COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)c3ccc(Cl)cc3)CC2)cs1 ZINC000034905698 554025900 /nfs/dbraw/zinc/02/59/00/554025900.db2.gz SEZRRUHTFXNAGQ-UHFFFAOYSA-N 0 0 500.020 4.855 50 0 KJAARN COc1ccccc1OCc1nc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2ccccc2Cl)cs1 ZINC000034905749 554025974 /nfs/dbraw/zinc/02/59/74/554025974.db2.gz XRIBUCARIRBQKU-RBUKOAKNSA-N 0 0 500.020 4.855 50 0 KJAARN COc1ccccc1OCc1nc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2ccccc2Cl)cs1 ZINC000034905750 554025933 /nfs/dbraw/zinc/02/59/33/554025933.db2.gz XRIBUCARIRBQKU-OALUTQOASA-N 0 0 500.020 4.855 50 0 KJAARN COc1ccccc1OCc1nc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2Cl)cs1 ZINC000034905751 554025952 /nfs/dbraw/zinc/02/59/52/554025952.db2.gz XRIBUCARIRBQKU-RTBURBONSA-N 0 0 500.020 4.855 50 0 KJAARN COc1ccccc1OCc1nc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccccc2Cl)cs1 ZINC000034905752 554025958 /nfs/dbraw/zinc/02/59/58/554025958.db2.gz XRIBUCARIRBQKU-MOPGFXCFSA-N 0 0 500.020 4.855 50 0 KJAARN O=C(COc1ccc(Cl)cc1)NC1CCC(NC(=O)c2csc(COc3ccccc3F)n2)CC1 ZINC000034905934 554026064 /nfs/dbraw/zinc/02/60/64/554026064.db2.gz OYBAVAFBHVWMJZ-UHFFFAOYSA-N 0 0 518.010 4.751 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2F)n1 ZINC000034905961 554026108 /nfs/dbraw/zinc/02/61/08/554026108.db2.gz GCRBUXKADWCZPI-VQTJNVASSA-N 0 0 518.010 4.751 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N[C@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccccc2F)n1 ZINC000034905962 554026084 /nfs/dbraw/zinc/02/60/84/554026084.db2.gz GCRBUXKADWCZPI-PMACEKPBSA-N 0 0 518.010 4.751 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2F)n1 ZINC000034905963 554026059 /nfs/dbraw/zinc/02/60/59/554026059.db2.gz GCRBUXKADWCZPI-WOJBJXKFSA-N 0 0 518.010 4.751 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccccc2F)n1 ZINC000034905964 554026099 /nfs/dbraw/zinc/02/60/99/554026099.db2.gz GCRBUXKADWCZPI-UXHICEINSA-N 0 0 518.010 4.751 50 0 KJAARN COc1cc(OC)cc(C(=O)NCCCNC(=O)c2csc(COc3cc(C)ccc3C(C)C)n2)c1 ZINC000034906032 554026103 /nfs/dbraw/zinc/02/61/03/554026103.db2.gz ZOJGLNXJLHDEBK-UHFFFAOYSA-N 0 0 511.644 4.721 50 0 KJAARN CCOC(=O)CCC(=O)NC1CCC(NC(=O)c2csc(COc3cc(C)ccc3C(C)C)n2)CC1 ZINC000034906042 554026465 /nfs/dbraw/zinc/02/64/65/554026465.db2.gz HRVHUXFRVKFGPS-UHFFFAOYSA-N 0 0 515.676 4.654 50 0 KJAARN COc1ccc(NC(=O)NC2CCC(NC(=O)c3csc(COc4ccc(C)cc4)n3)CC2)c(OC)c1 ZINC000034906156 554026617 /nfs/dbraw/zinc/02/66/17/554026617.db2.gz WUSLQXIHGMBNMD-UHFFFAOYSA-N 0 0 524.643 4.910 50 0 KJAARN Cc1ccc(OCc2nc(C(=O)NC3CCC(NS(=O)(=O)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000034906433 554027750 /nfs/dbraw/zinc/02/77/50/554027750.db2.gz JYAYLHFXDRXNOD-UHFFFAOYSA-N 0 0 520.076 4.703 50 0 KJAARN Cc1ccc(S(=O)(=O)NC2CCC(NC(=O)c3csc(COc4cc(C)cc(C)c4)n3)CC2)cc1 ZINC000034906441 554027741 /nfs/dbraw/zinc/02/77/41/554027741.db2.gz SCFPSSSSCUSQRG-UHFFFAOYSA-N 0 0 513.685 4.667 50 0 KJAARN CCCCC(=O)N1CCC(N(Cc2ccccc2C)C(=O)CN(CCC(C)C)S(=O)(=O)CCC)CC1 ZINC000034909682 554027980 /nfs/dbraw/zinc/02/79/80/554027980.db2.gz VFWPWFPDUVCHQG-UHFFFAOYSA-N 0 0 521.768 4.593 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000034909685 554027978 /nfs/dbraw/zinc/02/79/78/554027978.db2.gz BKKFNMMJIQBGGA-UHFFFAOYSA-N 0 0 541.758 4.716 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)C2CCCCC2)CC1 ZINC000034909691 554028008 /nfs/dbraw/zinc/02/80/08/554028008.db2.gz JXSOFNHYAJSUCQ-UHFFFAOYSA-N 0 0 547.806 4.983 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000034909697 554028002 /nfs/dbraw/zinc/02/80/02/554028002.db2.gz WJQBUOJOEWYQPO-UHFFFAOYSA-N 0 0 535.795 4.839 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)C2CCCC2)CC1 ZINC000034909699 554028006 /nfs/dbraw/zinc/02/80/06/554028006.db2.gz DRCPFQANBZKTOU-UHFFFAOYSA-N 0 0 533.779 4.593 50 0 KJAARN CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)CCC2CCCC2)CC1)CC(C)C ZINC000034909758 554028219 /nfs/dbraw/zinc/02/82/19/554028219.db2.gz VTVDAXGMUQVOJR-UHFFFAOYSA-N 0 0 533.779 4.674 50 0 KJAARN CCCCCCC(=O)N1CCC(N(Cc2ccccc2)C(=O)CN(CC(C)C)S(=O)(=O)CCC)CC1 ZINC000034909783 554028484 /nfs/dbraw/zinc/02/84/84/554028484.db2.gz XOGYRHCEPLTSLD-UHFFFAOYSA-N 0 0 521.768 4.674 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)CCC2CCCC2)CC1)CC(C)C ZINC000034909881 554028649 /nfs/dbraw/zinc/02/86/49/554028649.db2.gz QMPZIQLBDZOKRT-UHFFFAOYSA-N 0 0 533.779 4.593 50 0 KJAARN CCCCCCC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CC(C)C)S(=O)(=O)CC)CC1 ZINC000034909909 554028659 /nfs/dbraw/zinc/02/86/59/554028659.db2.gz AVPWMQHOVUSXTL-UHFFFAOYSA-N 0 0 521.768 4.593 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)C2CCCCC2)CC1)S(=O)(=O)c1ccccc1 ZINC000034910143 554028925 /nfs/dbraw/zinc/02/89/25/554028925.db2.gz LEDGZWUSMIEJCV-UHFFFAOYSA-N 0 0 539.742 4.687 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)CC(C)(C)C)CC1)S(=O)(=O)c1ccccc1 ZINC000034910148 554028978 /nfs/dbraw/zinc/02/89/78/554028978.db2.gz LGPHJVSKJAYRMD-UHFFFAOYSA-N 0 0 527.731 4.543 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)CCC2CCCC2)CC1)S(=O)(=O)CCC ZINC000034910184 554029004 /nfs/dbraw/zinc/02/90/04/554029004.db2.gz SADWGQSGLAWSCW-UHFFFAOYSA-N 0 0 537.742 4.568 50 0 KJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3c(OC)cccc3OC)c2)n(-c2ccc(OC)cc2)n1 ZINC000034915853 554030099 /nfs/dbraw/zinc/03/00/99/554030099.db2.gz OEYWHITYHVUIHH-UHFFFAOYSA-N 0 0 501.539 4.994 50 0 KJAARN COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)CCC3CCCC3)ccc2N2CCCC2)cc1OC ZINC000034919322 554030010 /nfs/dbraw/zinc/03/00/10/554030010.db2.gz KNMTXMMAPLDRGQ-UHFFFAOYSA-N 0 0 529.703 4.734 50 0 KJAARN CCCCCCC(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000034919333 554030579 /nfs/dbraw/zinc/03/05/79/554030579.db2.gz GINHFWURFNQHMP-UHFFFAOYSA-N 0 0 517.692 4.734 50 0 KJAARN O=C(COc1ccccc1)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000034919410 554030436 /nfs/dbraw/zinc/03/04/36/554030436.db2.gz FSOUSMVNPVVCNB-RUZDIDTESA-N 0 0 505.640 4.660 50 0 KJAARN O=C(COc1ccccc1)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000034919413 554030452 /nfs/dbraw/zinc/03/04/52/554030452.db2.gz FSOUSMVNPVVCNB-VWLOTQADSA-N 0 0 505.640 4.660 50 0 KJAARN COc1ccc(CC(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c2)cc1 ZINC000034919421 554030493 /nfs/dbraw/zinc/03/04/93/554030493.db2.gz LVWABNLDVIAXMA-AREMUKBSSA-N 0 0 519.667 4.833 50 0 KJAARN COc1ccc(CC(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)N[C@H]3CCCc4ccccc43)c2)cc1 ZINC000034919424 554030462 /nfs/dbraw/zinc/03/04/62/554030462.db2.gz LVWABNLDVIAXMA-SANMLTNESA-N 0 0 519.667 4.833 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c2)c1 ZINC000034919454 554030567 /nfs/dbraw/zinc/03/05/67/554030567.db2.gz VJDIAMIXYNONLJ-RUZDIDTESA-N 0 0 505.640 4.904 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)N[C@H]3CCCc4ccccc43)c2)c1 ZINC000034919457 554030519 /nfs/dbraw/zinc/03/05/19/554030519.db2.gz VJDIAMIXYNONLJ-VWLOTQADSA-N 0 0 505.640 4.904 50 0 KJAARN O=C(COCc1ccccc1)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000034919471 554030441 /nfs/dbraw/zinc/03/04/41/554030441.db2.gz NWTKVMOHQYFBFO-AREMUKBSSA-N 0 0 519.667 4.798 50 0 KJAARN O=C(COCc1ccccc1)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000034919473 554030557 /nfs/dbraw/zinc/03/05/57/554030557.db2.gz NWTKVMOHQYFBFO-SANMLTNESA-N 0 0 519.667 4.798 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919527 554030652 /nfs/dbraw/zinc/03/06/52/554030652.db2.gz QKCGDPRGQFMRIP-QFIPXVFZSA-N 0 0 512.720 4.777 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919529 554030687 /nfs/dbraw/zinc/03/06/87/554030687.db2.gz QKCGDPRGQFMRIP-JOCHJYFZSA-N 0 0 512.720 4.777 50 0 KJAARN CCc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000034919554 554030705 /nfs/dbraw/zinc/03/07/05/554030705.db2.gz RDLRTRZENBYOLF-QFIPXVFZSA-N 0 0 520.699 4.683 50 0 KJAARN CCc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000034919556 554030639 /nfs/dbraw/zinc/03/06/39/554030639.db2.gz RDLRTRZENBYOLF-JOCHJYFZSA-N 0 0 520.699 4.683 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919559 554030748 /nfs/dbraw/zinc/03/07/48/554030748.db2.gz JIVFUCFRGURYLO-IOUNIBQOSA-N 0 0 518.683 4.520 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919561 554030715 /nfs/dbraw/zinc/03/07/15/554030715.db2.gz JIVFUCFRGURYLO-AKXFXYSNSA-N 0 0 518.683 4.520 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919602 554030827 /nfs/dbraw/zinc/03/08/27/554030827.db2.gz FCLOWZFBNRNCBE-AREMUKBSSA-N 0 0 524.731 4.703 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)C3CCCCC3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919604 554030670 /nfs/dbraw/zinc/03/06/70/554030670.db2.gz FCLOWZFBNRNCBE-SANMLTNESA-N 0 0 524.731 4.703 50 0 KJAARN CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000034919617 554030624 /nfs/dbraw/zinc/03/06/24/554030624.db2.gz CPOXAFMVHNAMIV-RUZDIDTESA-N 0 0 512.720 4.703 50 0 KJAARN CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000034919619 554030724 /nfs/dbraw/zinc/03/07/24/554030724.db2.gz CPOXAFMVHNAMIV-VWLOTQADSA-N 0 0 512.720 4.703 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)c3ccccc3C)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919621 554030635 /nfs/dbraw/zinc/03/06/35/554030635.db2.gz CNGZCJSDZQAVFY-HHHXNRCGSA-N 0 0 532.710 4.745 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)c3ccccc3C)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919624 554030776 /nfs/dbraw/zinc/03/07/76/554030776.db2.gz CNGZCJSDZQAVFY-MHZLTWQESA-N 0 0 532.710 4.745 50 0 KJAARN CCCC(=O)Nc1ccc(N2CCC(C(=O)OCC)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000034919734 554031103 /nfs/dbraw/zinc/03/11/03/554031103.db2.gz PPDUZNFWMPEOFS-XMMPIXPASA-N 0 0 527.687 4.561 50 0 KJAARN CCCC(=O)Nc1ccc(N2CCC(C(=O)OCC)CC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000034919736 554031152 /nfs/dbraw/zinc/03/11/52/554031152.db2.gz PPDUZNFWMPEOFS-DEOSSOPVSA-N 0 0 527.687 4.561 50 0 KJAARN CCCCC(=O)Nc1ccc(N2CCC[C@H](C(=O)OCC)C2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000034919765 554031118 /nfs/dbraw/zinc/03/11/18/554031118.db2.gz IFUIXQSIMLCNMY-UNMCSNQZSA-N 0 0 515.676 4.634 50 0 KJAARN CCCCC(=O)Nc1ccc(N2CCC[C@H](C(=O)OCC)C2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000034919767 554031131 /nfs/dbraw/zinc/03/11/31/554031131.db2.gz IFUIXQSIMLCNMY-IRLDBZIGSA-N 0 0 515.676 4.634 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 ZINC000034919787 554031122 /nfs/dbraw/zinc/03/11/22/554031122.db2.gz UZMYGMUUNCITIO-NZQKXSOJSA-N 0 0 527.687 4.634 50 0 KJAARN CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 ZINC000034919789 554031072 /nfs/dbraw/zinc/03/10/72/554031072.db2.gz UZMYGMUUNCITIO-REWPJTCUSA-N 0 0 527.687 4.634 50 0 KJAARN COc1cc(C(=O)N(Cc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)C(C)C)cc(OC)c1OC ZINC000034921246 554031587 /nfs/dbraw/zinc/03/15/87/554031587.db2.gz WJKLJTLHIGYDFD-UHFFFAOYSA-N 0 0 517.575 4.670 50 0 KJAARN CN(C)c1ccc(NC(=O)COCc2ccccc2)cc1CN(C[C@@H]1CCCO1)C(=O)c1cccs1 ZINC000034921665 554031625 /nfs/dbraw/zinc/03/16/25/554031625.db2.gz HBNIPTCVBIRJBQ-DEOSSOPVSA-N 0 0 507.656 4.791 50 0 KJAARN CN(C)c1ccc(NC(=O)COCc2ccccc2)cc1CN(C[C@H]1CCCO1)C(=O)c1cccs1 ZINC000034921666 554031656 /nfs/dbraw/zinc/03/16/56/554031656.db2.gz HBNIPTCVBIRJBQ-XMMPIXPASA-N 0 0 507.656 4.791 50 0 KJAARN CCCN(Cc1cc(NC(=O)Cc2ccc(OC)cc2)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000034921725 554031667 /nfs/dbraw/zinc/03/16/67/554031667.db2.gz BABNESUMKATVGK-UHFFFAOYSA-N 0 0 513.635 4.682 50 0 KJAARN CCCN(Cc1cc(NC(=O)COCc2ccccc2)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000034921727 554031618 /nfs/dbraw/zinc/03/16/18/554031618.db2.gz WDKXJLMYWZQEBI-UHFFFAOYSA-N 0 0 513.635 4.648 50 0 KJAARN CN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1CN(C[C@@H]1CCCO1)C(=O)c1cccs1 ZINC000034921866 554031955 /nfs/dbraw/zinc/03/19/55/554031955.db2.gz IOZZEJOJKHZNSB-NRFANRHFSA-N 0 0 517.648 4.575 50 0 KJAARN CN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1CN(C[C@H]1CCCO1)C(=O)c1cccs1 ZINC000034921867 554031921 /nfs/dbraw/zinc/03/19/21/554031921.db2.gz IOZZEJOJKHZNSB-OAQYLSRUSA-N 0 0 517.648 4.575 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(CN(C[C@@H]3CCCO3)C(=O)CC(C)(C)C)c2)cc1 ZINC000034921878 554031938 /nfs/dbraw/zinc/03/19/38/554031938.db2.gz HKTKDDNMUNXYOZ-QHCPKHFHSA-N 0 0 501.693 4.806 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(CN(C[C@H]3CCCO3)C(=O)CC(C)(C)C)c2)cc1 ZINC000034921879 554031944 /nfs/dbraw/zinc/03/19/44/554031944.db2.gz HKTKDDNMUNXYOZ-HSZRJFAPSA-N 0 0 501.693 4.806 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)nc2Nc2ccccc2)CC1 ZINC000034921903 554032008 /nfs/dbraw/zinc/03/20/08/554032008.db2.gz VEXPIZJOIUVMNY-UHFFFAOYSA-N 0 0 509.566 4.587 50 0 KJAARN Cc1ccc(CN2CCN(C(=O)c3cnc(-c4ccc5c(c4)OCO5)nc3Nc3ccccc3)CC2)cc1 ZINC000034921919 554031961 /nfs/dbraw/zinc/03/19/61/554031961.db2.gz HYGLQPCXNOPVFL-UHFFFAOYSA-N 0 0 507.594 4.882 50 0 KJAARN O=C(c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 ZINC000034921925 554031986 /nfs/dbraw/zinc/03/19/86/554031986.db2.gz FIDFBJZVNYUQPQ-UHFFFAOYSA-N 0 0 515.520 4.857 50 0 KJAARN O=C(c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccccc1F)N1CCN(c2ccccc2F)CC1 ZINC000034921946 554031994 /nfs/dbraw/zinc/03/19/94/554031994.db2.gz XSDYHECMNUFMTK-UHFFFAOYSA-N 0 0 515.520 4.857 50 0 KJAARN O=C(c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1cccc(F)c1)N1CCN(c2ccccc2F)CC1 ZINC000034921966 554032010 /nfs/dbraw/zinc/03/20/10/554032010.db2.gz OXVPANMPSVWSMA-UHFFFAOYSA-N 0 0 515.520 4.857 50 0 KJAARN COc1ccc(Nc2nc(-c3ccccc3)ncc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000034921986 554031992 /nfs/dbraw/zinc/03/19/92/554031992.db2.gz GPUOFPVPXLIHGH-UHFFFAOYSA-N 0 0 525.609 4.875 50 0 KJAARN COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(F)cc3F)no2)cc(OC)c1OC ZINC000034922430 554032146 /nfs/dbraw/zinc/03/21/46/554032146.db2.gz HFGQLSBOWVYTHJ-SFHVURJKSA-N 0 0 503.502 4.859 50 0 KJAARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(F)cc3F)no2)cc(OC)c1OC ZINC000034922431 554032144 /nfs/dbraw/zinc/03/21/44/554032144.db2.gz HFGQLSBOWVYTHJ-GOSISDBHSA-N 0 0 503.502 4.859 50 0 KJAARN COc1ccc(NC(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@@H]2CCCO2)c(OC)c1 ZINC000034922432 554032158 /nfs/dbraw/zinc/03/21/58/554032158.db2.gz AEBKXBYURVNFBD-FQEVSTJZSA-N 0 0 527.574 4.598 50 0 KJAARN COc1ccc(NC(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@H]2CCCO2)c(OC)c1 ZINC000034922433 554032170 /nfs/dbraw/zinc/03/21/70/554032170.db2.gz AEBKXBYURVNFBD-HXUWFJFHSA-N 0 0 527.574 4.598 50 0 KJAARN CCOc1ccc(NC(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@@H]2CCCO2)cc1 ZINC000034922434 554032136 /nfs/dbraw/zinc/03/21/36/554032136.db2.gz ADDLKPNXTAUPKS-QFIPXVFZSA-N 0 0 511.575 4.979 50 0 KJAARN CCOc1ccc(NC(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@H]2CCCO2)cc1 ZINC000034922435 554032119 /nfs/dbraw/zinc/03/21/19/554032119.db2.gz ADDLKPNXTAUPKS-JOCHJYFZSA-N 0 0 511.575 4.979 50 0 KJAARN COc1cc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(F)c(F)c3)no2)cc(OC)c1OC ZINC000034922446 554032202 /nfs/dbraw/zinc/03/22/02/554032202.db2.gz IALPDPUGRSADOV-SFHVURJKSA-N 0 0 503.502 4.859 50 0 KJAARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(F)c(F)c3)no2)cc(OC)c1OC ZINC000034922447 554032185 /nfs/dbraw/zinc/03/21/85/554032185.db2.gz IALPDPUGRSADOV-GOSISDBHSA-N 0 0 503.502 4.859 50 0 KJAARN COc1cc(NC(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@@H]2CCCO2)cc(OC)c1 ZINC000034922448 554032173 /nfs/dbraw/zinc/03/21/73/554032173.db2.gz PKXWSGGNLSAIBN-FQEVSTJZSA-N 0 0 527.574 4.598 50 0 KJAARN COc1cc(NC(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@H]2CCCO2)cc(OC)c1 ZINC000034922449 554032183 /nfs/dbraw/zinc/03/21/83/554032183.db2.gz PKXWSGGNLSAIBN-HXUWFJFHSA-N 0 0 527.574 4.598 50 0 KJAARN CCOc1ccccc1NC(=O)N(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C[C@@H]1CCCO1 ZINC000034922450 554032168 /nfs/dbraw/zinc/03/21/68/554032168.db2.gz KUISPFYUOGNOFN-FQEVSTJZSA-N 0 0 511.575 4.979 50 0 KJAARN CCOc1ccccc1NC(=O)N(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C[C@H]1CCCO1 ZINC000034922451 554032149 /nfs/dbraw/zinc/03/21/49/554032149.db2.gz KUISPFYUOGNOFN-HXUWFJFHSA-N 0 0 511.575 4.979 50 0 KJAARN Cc1ccc(NC(=O)c2c(-c3ccccc3)n(Cc3cccs3)c(=O)n2CCN2CCOCC2)cc1C ZINC000034924217 554032485 /nfs/dbraw/zinc/03/24/85/554032485.db2.gz JHTXMVWORDRWKL-UHFFFAOYSA-N 0 0 516.667 4.628 50 0 KJAARN COc1cccc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccc(C)cc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928129 554032458 /nfs/dbraw/zinc/03/24/58/554032458.db2.gz ZYFXSFGJHDDIKC-LOYHVIPDSA-N 0 0 509.650 4.791 50 0 KJAARN COc1cccc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccc(C)cc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928130 554032495 /nfs/dbraw/zinc/03/24/95/554032495.db2.gz ZYFXSFGJHDDIKC-XZWHSSHBSA-N 0 0 509.650 4.791 50 0 KJAARN COc1cccc([C@H]2[C@H](C(=O)N3CCN(Cc4ccc(C)cc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928131 554032501 /nfs/dbraw/zinc/03/25/01/554032501.db2.gz ZYFXSFGJHDDIKC-IHLOFXLRSA-N 0 0 509.650 4.791 50 0 KJAARN COc1cccc([C@H]2[C@@H](C(=O)N3CCN(Cc4ccc(C)cc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928132 554032693 /nfs/dbraw/zinc/03/26/93/554032693.db2.gz ZYFXSFGJHDDIKC-KYJUHHDHSA-N 0 0 509.650 4.791 50 0 KJAARN COc1cccc([C@@H]2[C@H](C(=O)N3CCN(CCc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928133 554032665 /nfs/dbraw/zinc/03/26/65/554032665.db2.gz OBQRQMDQTUNYEN-LOYHVIPDSA-N 0 0 509.650 4.525 50 0 KJAARN COc1cccc([C@H]2[C@H](C(=O)N3CCN(CCc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928134 554032725 /nfs/dbraw/zinc/03/27/25/554032725.db2.gz OBQRQMDQTUNYEN-IHLOFXLRSA-N 0 0 509.650 4.525 50 0 KJAARN COc1cccc([C@@H]2[C@@H](C(=O)N3CCN(CCc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928135 554032661 /nfs/dbraw/zinc/03/26/61/554032661.db2.gz OBQRQMDQTUNYEN-XZWHSSHBSA-N 0 0 509.650 4.525 50 0 KJAARN COc1cccc([C@H]2[C@@H](C(=O)N3CCN(CCc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928136 554032656 /nfs/dbraw/zinc/03/26/56/554032656.db2.gz OBQRQMDQTUNYEN-KYJUHHDHSA-N 0 0 509.650 4.525 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928235 554032914 /nfs/dbraw/zinc/03/29/14/554032914.db2.gz QFWUPQFNWBCKQO-CLJLJLNGSA-N 0 0 506.574 4.859 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928236 554032909 /nfs/dbraw/zinc/03/29/09/554032909.db2.gz QFWUPQFNWBCKQO-FTJBHMTQSA-N 0 0 506.574 4.859 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(F)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928237 554032931 /nfs/dbraw/zinc/03/29/31/554032931.db2.gz QFWUPQFNWBCKQO-IZZNHLLZSA-N 0 0 506.574 4.859 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(F)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928238 554032960 /nfs/dbraw/zinc/03/29/60/554032960.db2.gz QFWUPQFNWBCKQO-UIOOFZCWSA-N 0 0 506.574 4.859 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cccs2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928251 554032923 /nfs/dbraw/zinc/03/29/23/554032923.db2.gz QUPSGEKYOWSMHB-JWQCQUIFSA-N 0 0 508.640 4.824 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cccs2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928252 554032919 /nfs/dbraw/zinc/03/29/19/554032919.db2.gz QUPSGEKYOWSMHB-RPBOFIJWSA-N 0 0 508.640 4.824 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cccs2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928253 554033013 /nfs/dbraw/zinc/03/30/13/554033013.db2.gz QUPSGEKYOWSMHB-LOSJGSFVSA-N 0 0 508.640 4.824 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cccs2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928254 554032928 /nfs/dbraw/zinc/03/29/28/554032928.db2.gz QUPSGEKYOWSMHB-DQEYMECFSA-N 0 0 508.640 4.824 50 0 KJAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C\c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000034989882 1067139006 /nfs/dbraw/zinc/13/90/06/1067139006.db2.gz XSBOFQYHZMYROW-YVLHZVERSA-N 0 0 505.640 4.906 50 0 KJAARN O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000035047621 554033885 /nfs/dbraw/zinc/03/38/85/554033885.db2.gz YQNFHGNEPXUQMR-WAOWUJCRSA-N 0 0 509.278 4.813 50 0 KJAARN COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)c1ccccc1C ZINC000035074453 554034142 /nfs/dbraw/zinc/03/41/42/554034142.db2.gz VUUSMLJZZZGCDH-UHFFFAOYSA-N 0 0 522.642 4.664 50 0 KJAARN COCCCN(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000035077477 554034028 /nfs/dbraw/zinc/03/40/28/554034028.db2.gz ZNPOQRNVWFIUMU-UHFFFAOYSA-N 0 0 511.644 4.865 50 0 KJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000035085479 1067139403 /nfs/dbraw/zinc/13/94/03/1067139403.db2.gz VPFQFUCFGPVBLQ-HJWRWDBZSA-N 0 0 522.520 4.535 50 0 KJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000035085934 554034467 /nfs/dbraw/zinc/03/44/67/554034467.db2.gz MRITWOJDVCKLGA-UHFFFAOYSA-N 0 0 500.611 4.971 50 0 KJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)c1ccc(OC)cc1 ZINC000035086037 554034515 /nfs/dbraw/zinc/03/45/15/554034515.db2.gz RUPHQKHFVKBJJZ-UHFFFAOYSA-N 0 0 524.639 4.502 50 0 KJAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035103677 554034670 /nfs/dbraw/zinc/03/46/70/554034670.db2.gz JKZCZFUFCTUUFM-KDOFPFPSSA-N 0 0 512.579 4.864 50 0 KJAARN CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035103678 554034645 /nfs/dbraw/zinc/03/46/45/554034645.db2.gz JKZCZFUFCTUUFM-KSSFIOAISA-N 0 0 512.579 4.864 50 0 KJAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035103679 554034694 /nfs/dbraw/zinc/03/46/94/554034694.db2.gz JKZCZFUFCTUUFM-RDTXWAMCSA-N 0 0 512.579 4.864 50 0 KJAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035103680 554034666 /nfs/dbraw/zinc/03/46/66/554034666.db2.gz JKZCZFUFCTUUFM-KBXCAEBGSA-N 0 0 512.579 4.864 50 0 KJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)n2c(=O)/c(=C\c3c(Cl)cccc3Cl)sc2=N1 ZINC000035111663 554035087 /nfs/dbraw/zinc/03/50/87/554035087.db2.gz YMQNZCUVAYPXLF-CYEGBWLXSA-N 0 0 507.464 4.803 50 0 KJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)n2c(=O)/c(=C\c3c(Cl)cccc3Cl)sc2=N1 ZINC000035111665 554035061 /nfs/dbraw/zinc/03/50/61/554035061.db2.gz YMQNZCUVAYPXLF-ACEGTKJHSA-N 0 0 507.464 4.803 50 0 KJAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)c2)cc1 ZINC000035113001 554034919 /nfs/dbraw/zinc/03/49/19/554034919.db2.gz IJKPZPNNFXOCHB-UHFFFAOYSA-N 0 0 527.668 4.531 50 0 KJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C(=O)c1cc(OC)cc(OC)c1 ZINC000035152554 554036454 /nfs/dbraw/zinc/03/64/54/554036454.db2.gz ABWOUKFRZRMHJL-UHFFFAOYSA-N 0 0 510.656 4.781 50 0 KJAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccnc2)cc1 ZINC000035189579 554041329 /nfs/dbraw/zinc/04/13/29/554041329.db2.gz CKWODUUTSPQGKR-VSGBNLITSA-N 0 0 507.546 4.621 50 0 KJAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(c3ccc4c(c3)OCO4)[C@@H]2c2cccnc2)cc1 ZINC000035189580 554041284 /nfs/dbraw/zinc/04/12/84/554041284.db2.gz CKWODUUTSPQGKR-WUFINQPMSA-N 0 0 507.546 4.621 50 0 KJAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccnc2)cc1 ZINC000035189581 554041282 /nfs/dbraw/zinc/04/12/82/554041282.db2.gz CKWODUUTSPQGKR-IZLXSDGUSA-N 0 0 507.546 4.621 50 0 KJAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(c3ccc4c(c3)OCO4)[C@H]2c2cccnc2)cc1 ZINC000035189582 554041300 /nfs/dbraw/zinc/04/13/00/554041300.db2.gz CKWODUUTSPQGKR-NSOVKSMOSA-N 0 0 507.546 4.621 50 0 KJAARN CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)c1ccc(OC)cc1 ZINC000035191464 554041298 /nfs/dbraw/zinc/04/12/98/554041298.db2.gz KISUAXJXWYSZQU-UHFFFAOYSA-N 0 0 508.615 4.738 50 0 KJAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)C1 ZINC000035201753 554041681 /nfs/dbraw/zinc/04/16/81/554041681.db2.gz QYGQFGXAIYXFMY-SILAICFJSA-N 0 0 523.630 4.709 50 0 KJAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](c3ccccc3)C2)C1 ZINC000035201757 554041630 /nfs/dbraw/zinc/04/16/30/554041630.db2.gz QYGQFGXAIYXFMY-FGTQWKHKSA-N 0 0 523.630 4.709 50 0 KJAARN O=C(OCN1C(=O)c2ccccc2C1=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2 ZINC000035213744 1067139422 /nfs/dbraw/zinc/13/94/22/1067139422.db2.gz CMIZEMNAGWFUQN-AQTBWJFISA-N 0 0 504.498 4.861 50 0 KJAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)Nc1ccccc1C ZINC000035214742 554041593 /nfs/dbraw/zinc/04/15/93/554041593.db2.gz MQKASEIPRONEGG-UHFFFAOYSA-N 0 0 502.564 4.591 50 0 KJAARN COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)c1ccccc1C ZINC000035225956 554041944 /nfs/dbraw/zinc/04/19/44/554041944.db2.gz XSOZLKFAKGROPQ-UHFFFAOYSA-N 0 0 524.683 4.742 50 0 KJAARN CC(C)N(C(=O)CO[C@H]1[C@H]2OC3(CCCCC3)O[C@@H]2O[C@H]1[C@@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000035229222 554041895 /nfs/dbraw/zinc/04/18/95/554041895.db2.gz DAHHAWNSAVMYJT-KFRGZICISA-N 0 0 515.647 4.690 50 0 KJAARN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000035240283 554042281 /nfs/dbraw/zinc/04/22/81/554042281.db2.gz IEAXXJHSFPIQSW-GTWFGUSFSA-N 0 0 500.645 4.788 50 0 KJAARN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000035240284 554042154 /nfs/dbraw/zinc/04/21/54/554042154.db2.gz IEAXXJHSFPIQSW-SJJVXOANSA-N 0 0 500.645 4.788 50 0 KJAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)c1c2c(nc3ccccc31)CCC2 ZINC000035242235 554042233 /nfs/dbraw/zinc/04/22/33/554042233.db2.gz KZQFIKLGEYQLHW-KGENOOAVSA-N 0 0 509.534 4.791 50 0 KJAARN CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)CC(C)(C)C ZINC000035314371 554043149 /nfs/dbraw/zinc/04/31/49/554043149.db2.gz IYHMWIOKJRODTR-UHFFFAOYSA-N 0 0 516.679 4.868 50 0 KJAARN CCOC(=O)C1C(C)=Nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2[C@@H]1c1cc2c(c(OC)c1)OCO2 ZINC000035326311 554043392 /nfs/dbraw/zinc/04/33/92/554043392.db2.gz MDZQAPYBEAQUIC-HXUWFJFHSA-N 0 0 522.579 4.702 50 0 KJAARN 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/nfs/dbraw/zinc/04/83/68/554048368.db2.gz MACKUMOOYNXDFZ-UHFFFAOYSA-N 0 0 502.977 4.941 50 0 KJAARN COc1ccc(CNC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 ZINC000035399907 554048359 /nfs/dbraw/zinc/04/83/59/554048359.db2.gz VRADKBGUJJSSMV-UHFFFAOYSA-N 0 0 504.949 4.517 50 0 KJAARN COc1cccc(CNC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000035399908 554048374 /nfs/dbraw/zinc/04/83/74/554048374.db2.gz OWORNDVGHBZGSB-UHFFFAOYSA-N 0 0 504.949 4.517 50 0 KJAARN O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21)Nc1ccc2c(c1)OCO2 ZINC000035399910 554048371 /nfs/dbraw/zinc/04/83/71/554048371.db2.gz PSIWFPROWAEODJ-UHFFFAOYSA-N 0 0 504.905 4.559 50 0 KJAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NCc4ccccc4Cl)c3c2=O)cc1 ZINC000035400004 554048357 /nfs/dbraw/zinc/04/83/57/554048357.db2.gz RNEWMDASTZNJAC-UHFFFAOYSA-N 0 0 500.986 4.686 50 0 KJAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)N[C@@H](C)CCc4ccccc4)c3c2=O)cc1 ZINC000035400043 554048347 /nfs/dbraw/zinc/04/83/47/554048347.db2.gz KLNGBIJQHCNNNM-QFIPXVFZSA-N 0 0 508.622 4.854 50 0 KJAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)N[C@H](C)CCc4ccccc4)c3c2=O)cc1 ZINC000035400045 554048362 /nfs/dbraw/zinc/04/83/62/554048362.db2.gz KLNGBIJQHCNNNM-JOCHJYFZSA-N 0 0 508.622 4.854 50 0 KJAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NCc4ccc(Cl)cc4)c3c2=O)cc1 ZINC000035400055 554048345 /nfs/dbraw/zinc/04/83/45/554048345.db2.gz VACMGSACAWAQJP-UHFFFAOYSA-N 0 0 500.986 4.686 50 0 KJAARN COc1ccc(CNC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 ZINC000035400138 554048377 /nfs/dbraw/zinc/04/83/77/554048377.db2.gz LHJQBABYXCDQKR-UHFFFAOYSA-N 0 0 500.986 4.686 50 0 KJAARN COc1cccc(CNC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 ZINC000035400140 554048349 /nfs/dbraw/zinc/04/83/49/554048349.db2.gz RCVCKBFEAYPIRO-UHFFFAOYSA-N 0 0 500.986 4.686 50 0 KJAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000035400144 554048568 /nfs/dbraw/zinc/04/85/68/554048568.db2.gz ZSUCMTHLTRHWLX-UHFFFAOYSA-N 0 0 500.942 4.729 50 0 KJAARN 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CCc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2S[C@H](C)CC1=O ZINC000035431884 554053953 /nfs/dbraw/zinc/05/39/53/554053953.db2.gz UXLXKZNJDQPKPH-LJQANCHMSA-N 0 0 515.701 4.526 50 0 KJAARN CCc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2S[C@@H](C)CC1=O ZINC000035431887 554053936 /nfs/dbraw/zinc/05/39/36/554053936.db2.gz UXLXKZNJDQPKPH-IBGZPJMESA-N 0 0 515.701 4.526 50 0 KJAARN Cc1cccc(C)c1NC(=O)CN1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2S[C@H](C)CC1=O ZINC000035431920 554053985 /nfs/dbraw/zinc/05/39/85/554053985.db2.gz LOWQNHWLPLHQSW-HXUWFJFHSA-N 0 0 515.701 4.580 50 0 KJAARN Cc1cccc(C)c1NC(=O)CN1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2S[C@@H](C)CC1=O ZINC000035431925 554054038 /nfs/dbraw/zinc/05/40/38/554054038.db2.gz LOWQNHWLPLHQSW-FQEVSTJZSA-N 0 0 515.701 4.580 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)c(C)c4)n(-c4ccccc4)c(=O)c32)C1 ZINC000035431979 554053947 /nfs/dbraw/zinc/05/39/47/554053947.db2.gz SAAZHBVRJYSICI-UHFFFAOYSA-N 0 0 518.664 4.699 50 0 KJAARN CCc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C(C)=O)C3 ZINC000035431989 554053958 /nfs/dbraw/zinc/05/39/58/554053958.db2.gz MJWMJALDLDBVBC-UHFFFAOYSA-N 0 0 518.664 4.645 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4C)n(-c4ccccc4)c(=O)c32)C1 ZINC000035432005 554054204 /nfs/dbraw/zinc/05/42/04/554054204.db2.gz GFTRPEKRBVSMGQ-UHFFFAOYSA-N 0 0 518.664 4.699 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)c(F)c4)n(-c4ccccc4)c(=O)c23)C1 ZINC000035432007 554054254 /nfs/dbraw/zinc/05/42/54/554054254.db2.gz VHNGLBDHODKLAT-UHFFFAOYSA-N 0 0 522.627 4.530 50 0 KJAARN CCc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCN(C(C)=O)C4)c1 ZINC000035432009 554054274 /nfs/dbraw/zinc/05/42/74/554054274.db2.gz YPBNPEORGGVSOI-UHFFFAOYSA-N 0 0 518.664 4.645 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(C)cc(C)c4)n(-c4ccccc4)c(=O)c32)C1 ZINC000035432015 554054262 /nfs/dbraw/zinc/05/42/62/554054262.db2.gz VPRLPGHPDJVFJD-UHFFFAOYSA-N 0 0 518.664 4.699 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(C)ccc4C)n(-c4ccccc4)c(=O)c32)C1 ZINC000035432017 554054227 /nfs/dbraw/zinc/05/42/27/554054227.db2.gz FBDSHIXJKLESGQ-UHFFFAOYSA-N 0 0 518.664 4.699 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000035432049 554054189 /nfs/dbraw/zinc/05/41/89/554054189.db2.gz BOLVFEZOLWCEKE-UHFFFAOYSA-N 0 0 518.664 4.699 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4)n(-c4ccc(C)cc4)c(=O)c23)C1 ZINC000035432052 554054212 /nfs/dbraw/zinc/05/42/12/554054212.db2.gz TWGIWUOFKZSOSK-UHFFFAOYSA-N 0 0 522.627 4.530 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4C)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000035432055 554054250 /nfs/dbraw/zinc/05/42/50/554054250.db2.gz AEGHUFVFJFNJHY-UHFFFAOYSA-N 0 0 518.664 4.699 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccc(C)c4)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000035432058 554054270 /nfs/dbraw/zinc/05/42/70/554054270.db2.gz IFPOSNLNFYWZRS-UHFFFAOYSA-N 0 0 518.664 4.699 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4F)n(-c4ccc(C)cc4)c(=O)c23)C1 ZINC000035432061 554054283 /nfs/dbraw/zinc/05/42/83/554054283.db2.gz FWTLCRVZZASJSN-UHFFFAOYSA-N 0 0 522.627 4.530 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)n(-c4ccccc4C)c(=O)c32)C1 ZINC000035432078 554054169 /nfs/dbraw/zinc/05/41/69/554054169.db2.gz TUQCWAHNMBJRIE-UHFFFAOYSA-N 0 0 518.664 4.699 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4)n(-c4ccccc4C)c(=O)c23)C1 ZINC000035432082 554054179 /nfs/dbraw/zinc/05/41/79/554054179.db2.gz SGKOUVNVPWAEOS-UHFFFAOYSA-N 0 0 522.627 4.530 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccc(C)c4)n(-c4ccccc4C)c(=O)c32)C1 ZINC000035432084 554054236 /nfs/dbraw/zinc/05/42/36/554054236.db2.gz KEVDGOQLRRFEIZ-UHFFFAOYSA-N 0 0 518.664 4.699 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4F)n(-c4ccccc4C)c(=O)c23)C1 ZINC000035432087 554054257 /nfs/dbraw/zinc/05/42/57/554054257.db2.gz RZUOHRYEFABOOJ-UHFFFAOYSA-N 0 0 522.627 4.530 50 0 KJAARN COc1ccc(C=O)cc1CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C(C)=O)C3 ZINC000035432152 554054447 /nfs/dbraw/zinc/05/44/47/554054447.db2.gz GKBANRLJRRVARZ-UHFFFAOYSA-N 0 0 519.648 4.524 50 0 KJAARN Cc1ccc(C)c(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c3ccccc32)c1 ZINC000035442311 554054667 /nfs/dbraw/zinc/05/46/67/554054667.db2.gz DYFDTDDCKBIAOX-UHFFFAOYSA-N 0 0 501.656 4.902 50 0 KJAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000035447813 554055744 /nfs/dbraw/zinc/05/57/44/554055744.db2.gz HLHIWEZAATYERM-UHFFFAOYSA-N 0 0 522.403 4.765 50 0 KJAARN O=C(Nc1ccc2c(c1)OCO2)N1CCCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000035447815 554055812 /nfs/dbraw/zinc/05/58/12/554055812.db2.gz SRXMFSCCAZOKEM-UHFFFAOYSA-N 0 0 508.376 4.723 50 0 KJAARN COc1ccc(NC(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)cc1OC ZINC000035447824 554055787 /nfs/dbraw/zinc/05/57/87/554055787.db2.gz DETWKNZXGIFTEP-UHFFFAOYSA-N 0 0 510.392 4.621 50 0 KJAARN COc1ccc(OC)c(NC(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)c1 ZINC000035447826 554055837 /nfs/dbraw/zinc/05/58/37/554055837.db2.gz MRYZWGTUBXEUAI-UHFFFAOYSA-N 0 0 510.392 4.621 50 0 KJAARN COc1cc(OC)c(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)cc1Cl ZINC000035462449 554055924 /nfs/dbraw/zinc/05/59/24/554055924.db2.gz MQAWBDJJVPXAGC-UHFFFAOYSA-N 0 0 512.349 4.590 50 0 KJAARN CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3nc(C)ccc3c2=O)cc1 ZINC000035462555 554055969 /nfs/dbraw/zinc/05/59/69/554055969.db2.gz UVQVKXYFYCXDLY-UHFFFAOYSA-N 0 0 519.623 4.699 50 0 KJAARN CC(=O)N1CCN(c2ccc(Nc3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)cc2Cl)CC1 ZINC000035463169 554056241 /nfs/dbraw/zinc/05/62/41/554056241.db2.gz XBVPGVSZZOGOGK-UHFFFAOYSA-N 0 0 502.022 4.736 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000035477553 554056334 /nfs/dbraw/zinc/05/63/34/554056334.db2.gz SQVRXHCXBPCZKQ-UHFFFAOYSA-N 0 0 514.969 4.799 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000035477576 554056611 /nfs/dbraw/zinc/05/66/11/554056611.db2.gz WKONXWCHEHSPGV-UHFFFAOYSA-N 0 0 514.969 4.799 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000035502761 554057026 /nfs/dbraw/zinc/05/70/26/554057026.db2.gz WNYVASNVVAAOSO-UHFFFAOYSA-N 0 0 506.625 4.717 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(Cl)cc3)no2)c1=O ZINC000035509574 554057324 /nfs/dbraw/zinc/05/73/24/554057324.db2.gz GWXGJLBWMWIYHL-UHFFFAOYSA-N 0 0 506.946 4.651 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)cc1 ZINC000035509633 554057318 /nfs/dbraw/zinc/05/73/18/554057318.db2.gz GTBWVEDLWDMOQT-UHFFFAOYSA-N 0 0 522.074 4.727 50 0 KJAARN COCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)C1CCCCC1 ZINC000035524182 554057618 /nfs/dbraw/zinc/05/76/18/554057618.db2.gz FPHCFKJREAWVAB-UHFFFAOYSA-N 0 0 522.617 4.906 50 0 KJAARN COc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3CCc2ccc(OC)c(OC)c2)c1 ZINC000035528262 554057925 /nfs/dbraw/zinc/05/79/25/554057925.db2.gz XCMKKHYWIFRNCF-UHFFFAOYSA-N 0 0 508.625 4.667 50 0 KJAARN COc1ccc(Cn2c3nnc(SCc4ccc(N5CCCC5=O)cc4)n3c3ccsc3c2=O)cc1 ZINC000035529324 554057878 /nfs/dbraw/zinc/05/78/78/554057878.db2.gz PLJRUTWTLOBWTC-UHFFFAOYSA-N 0 0 517.636 4.582 50 0 KJAARN O=C1CCCN1c1ccc(CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccc(F)cc2)cc1 ZINC000035529369 554057904 /nfs/dbraw/zinc/05/79/04/554057904.db2.gz SYCJKFSVTJPJAH-UHFFFAOYSA-N 0 0 505.600 4.712 50 0 KJAARN COc1ccccc1Cn1c2nnc(SCc3ccc(N4CCCC4=O)cc3)n2c2ccsc2c1=O ZINC000035529502 554058170 /nfs/dbraw/zinc/05/81/70/554058170.db2.gz YFHIYXXMRDCVTP-UHFFFAOYSA-N 0 0 517.636 4.582 50 0 KJAARN Cc1ccc(Cl)cc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21 ZINC000035535346 554058211 /nfs/dbraw/zinc/05/82/11/554058211.db2.gz YZYSWRJMSWOWIJ-UHFFFAOYSA-N 0 0 510.775 4.991 50 0 KJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Br)ccc32)cc1Cl ZINC000035535347 554058119 /nfs/dbraw/zinc/05/81/19/554058119.db2.gz JUBFQDCYKAEDTF-UHFFFAOYSA-N 0 0 510.775 4.991 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21 ZINC000035535348 554058173 /nfs/dbraw/zinc/05/81/73/554058173.db2.gz LZWSSLVURYRCMC-UHFFFAOYSA-N 0 0 510.775 4.991 50 0 KJAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21 ZINC000035535355 554058429 /nfs/dbraw/zinc/05/84/29/554058429.db2.gz ACZXKBVLHCEFDM-SFHVURJKSA-N 0 0 518.411 4.528 50 0 KJAARN C[C@H](CCc1ccccc1)NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21 ZINC000035535356 554058405 /nfs/dbraw/zinc/05/84/05/554058405.db2.gz ACZXKBVLHCEFDM-GOSISDBHSA-N 0 0 518.411 4.528 50 0 KJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Br)ccc32)c(Cl)c1 ZINC000035535359 554058443 /nfs/dbraw/zinc/05/84/43/554058443.db2.gz KBBQOTRMHPCEDF-UHFFFAOYSA-N 0 0 510.775 4.991 50 0 KJAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(OC)c(Cl)cc32)cc1Cl ZINC000035535375 554058375 /nfs/dbraw/zinc/05/83/75/554058375.db2.gz KQUNKIKSEAIIGA-UHFFFAOYSA-N 0 0 512.349 4.590 50 0 KJAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000035535509 554058657 /nfs/dbraw/zinc/05/86/57/554058657.db2.gz JGNBPFNIHSQHMH-UHFFFAOYSA-N 0 0 525.074 4.999 50 0 KJAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4C)CC3)c(C)s2)no1 ZINC000035554133 554059275 /nfs/dbraw/zinc/05/92/75/554059275.db2.gz BPEHOXHNPUPTJZ-UHFFFAOYSA-N 0 0 509.053 4.670 50 0 KJAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c(C)s2)no1 ZINC000035554147 554059290 /nfs/dbraw/zinc/05/92/90/554059290.db2.gz DIACNPKHZRHQJH-UHFFFAOYSA-N 0 0 509.053 4.670 50 0 KJAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c(C)s2)no1 ZINC000035554152 554059301 /nfs/dbraw/zinc/05/93/01/554059301.db2.gz KCRCMOSRWXSAGR-UHFFFAOYSA-N 0 0 502.662 4.832 50 0 KJAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c(C)s2)no1 ZINC000035554166 554059287 /nfs/dbraw/zinc/05/92/87/554059287.db2.gz XHNJAVXLNOVRLN-UHFFFAOYSA-N 0 0 513.016 4.501 50 0 KJAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)c(C)s2)no1 ZINC000035554170 554059296 /nfs/dbraw/zinc/05/92/96/554059296.db2.gz AKEPCAZGRWVWSE-UHFFFAOYSA-N 0 0 513.016 4.501 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000035554183 554059256 /nfs/dbraw/zinc/05/92/56/554059256.db2.gz DCFPDORBYGLYMR-UHFFFAOYSA-N 0 0 509.053 4.923 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000035554187 554059237 /nfs/dbraw/zinc/05/92/37/554059237.db2.gz HZHXVPARJQHPGB-UHFFFAOYSA-N 0 0 509.053 4.923 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000035554192 554059259 /nfs/dbraw/zinc/05/92/59/554059259.db2.gz HIPHGSSTNNZZBA-UHFFFAOYSA-N 0 0 510.588 4.548 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2C)CC1 ZINC000035554197 554059251 /nfs/dbraw/zinc/05/92/51/554059251.db2.gz NWAKOEIEMQWHLY-UHFFFAOYSA-N 0 0 502.662 4.886 50 0 KJAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C(C)C)n4)sc3C)CC2)cc1 ZINC000035554201 554059299 /nfs/dbraw/zinc/05/92/99/554059299.db2.gz TYBUBHABRMTYTL-UHFFFAOYSA-N 0 0 502.662 4.832 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000035554215 554059210 /nfs/dbraw/zinc/05/92/10/554059210.db2.gz GQYNLRJHCCUPGS-UHFFFAOYSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000035554219 554059265 /nfs/dbraw/zinc/05/92/65/554059265.db2.gz SVRQPYPRGXCVKD-UHFFFAOYSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000035554223 554059238 /nfs/dbraw/zinc/05/92/38/554059238.db2.gz CJSMOKPGRNDDJH-UHFFFAOYSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000035554227 554059233 /nfs/dbraw/zinc/05/92/33/554059233.db2.gz JHTZDCNAXGPKFA-UHFFFAOYSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000035554236 554059411 /nfs/dbraw/zinc/05/94/11/554059411.db2.gz FKMHVLMCGJPHRR-INIZCTEOSA-N 0 0 514.673 4.608 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000035554240 554059553 /nfs/dbraw/zinc/05/95/53/554059553.db2.gz FKMHVLMCGJPHRR-MRXNPFEDSA-N 0 0 514.673 4.608 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2C)CC1 ZINC000035554244 554059511 /nfs/dbraw/zinc/05/95/11/554059511.db2.gz MVYKPSPSCAOCML-UHFFFAOYSA-N 0 0 506.625 4.717 50 0 KJAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)CC1 ZINC000035554249 554059416 /nfs/dbraw/zinc/05/94/16/554059416.db2.gz UDIPRTCDQBVXJD-UHFFFAOYSA-N 0 0 518.661 4.586 50 0 KJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000035554274 554059487 /nfs/dbraw/zinc/05/94/87/554059487.db2.gz XGJWLVRECGETSH-UHFFFAOYSA-N 0 0 507.037 4.677 50 0 KJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000035554280 554059451 /nfs/dbraw/zinc/05/94/51/554059451.db2.gz RNOQIMYHFJEJAJ-UHFFFAOYSA-N 0 0 507.037 4.677 50 0 KJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2C)CC1 ZINC000035554285 554059445 /nfs/dbraw/zinc/05/94/45/554059445.db2.gz MMDRDCIXXDKXDC-UHFFFAOYSA-N 0 0 500.646 4.640 50 0 KJAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)sc3C)CC2)cc1 ZINC000035554290 554059427 /nfs/dbraw/zinc/05/94/27/554059427.db2.gz AALOEGFRPKSDBF-UHFFFAOYSA-N 0 0 500.646 4.586 50 0 KJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000035554300 554059525 /nfs/dbraw/zinc/05/95/25/554059525.db2.gz PGWRAQBTLQNXFL-UHFFFAOYSA-N 0 0 500.646 4.640 50 0 KJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000035554306 554059517 /nfs/dbraw/zinc/05/95/17/554059517.db2.gz YLEFHGPQOIFTRI-UHFFFAOYSA-N 0 0 500.646 4.640 50 0 KJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000035554311 554059471 /nfs/dbraw/zinc/05/94/71/554059471.db2.gz XFXCBYDSPFVOGN-UHFFFAOYSA-N 0 0 500.646 4.640 50 0 KJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000035554317 554059424 /nfs/dbraw/zinc/05/94/24/554059424.db2.gz XBPQMSDPOMFVRR-UHFFFAOYSA-N 0 0 500.646 4.640 50 0 KJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000035554342 554059435 /nfs/dbraw/zinc/05/94/35/554059435.db2.gz NEBSFYXXOVQOOB-UHFFFAOYSA-N 0 0 507.037 4.677 50 0 KJAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)sc3C)CC2)cc1 ZINC000035554377 554059837 /nfs/dbraw/zinc/05/98/37/554059837.db2.gz CFFQLUFFFNRZDQ-UHFFFAOYSA-N 0 0 514.673 4.976 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000035554381 554059841 /nfs/dbraw/zinc/05/98/41/554059841.db2.gz BJEQKOVZZRZETG-UHFFFAOYSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000035554385 554059809 /nfs/dbraw/zinc/05/98/09/554059809.db2.gz XQSXIXBURHGDLO-UHFFFAOYSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000035554388 554059831 /nfs/dbraw/zinc/05/98/31/554059831.db2.gz IWFDGYZOYRAFMB-UHFFFAOYSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C)CC1 ZINC000035554400 554059819 /nfs/dbraw/zinc/05/98/19/554059819.db2.gz ABXFWSGLHMLNSO-UHFFFAOYSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000035554431 554059823 /nfs/dbraw/zinc/05/98/23/554059823.db2.gz RDBAQEDVASMZET-UHFFFAOYSA-N 0 0 518.636 4.861 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2C)CC1 ZINC000035554439 554059849 /nfs/dbraw/zinc/05/98/49/554059849.db2.gz UGKSNGLDDAWZLL-UHFFFAOYSA-N 0 0 518.636 4.861 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1 ZINC000035554444 554059805 /nfs/dbraw/zinc/05/98/05/554059805.db2.gz RNDXCANRAFNSRA-UHFFFAOYSA-N 0 0 500.646 4.722 50 0 KJAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)c(C)s2)no1 ZINC000035556011 554060096 /nfs/dbraw/zinc/06/00/96/554060096.db2.gz VFOLQMZOBYOAJA-HNNXBMFYSA-N 0 0 509.053 4.670 50 0 KJAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)c(C)s2)no1 ZINC000035556015 554060064 /nfs/dbraw/zinc/06/00/64/554060064.db2.gz VFOLQMZOBYOAJA-OAHLLOKOSA-N 0 0 509.053 4.670 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000035556019 554060072 /nfs/dbraw/zinc/06/00/72/554060072.db2.gz APAONQXDYKJWKH-HNNXBMFYSA-N 0 0 509.053 4.923 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000035556022 554060066 /nfs/dbraw/zinc/06/00/66/554060066.db2.gz APAONQXDYKJWKH-OAHLLOKOSA-N 0 0 509.053 4.923 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000035556025 554060027 /nfs/dbraw/zinc/06/00/27/554060027.db2.gz JPWYRHNINMWHSW-GOSISDBHSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000035556028 554060024 /nfs/dbraw/zinc/06/00/24/554060024.db2.gz JPWYRHNINMWHSW-SFHVURJKSA-N 0 0 502.662 4.886 50 0 KJAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)C1 ZINC000035556032 554060050 /nfs/dbraw/zinc/06/00/50/554060050.db2.gz BMIGFUROFQDZOQ-GOSISDBHSA-N 0 0 502.662 4.832 50 0 KJAARN CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)C1 ZINC000035556036 554060091 /nfs/dbraw/zinc/06/00/91/554060091.db2.gz BMIGFUROFQDZOQ-SFHVURJKSA-N 0 0 502.662 4.832 50 0 KJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C(C)C)n4)sc3C)C2)cc1 ZINC000035556039 554060044 /nfs/dbraw/zinc/06/00/44/554060044.db2.gz PVQMCBOIFZZSFC-GOSISDBHSA-N 0 0 502.662 4.832 50 0 KJAARN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C(C)C)n4)sc3C)C2)cc1 ZINC000035556042 554060037 /nfs/dbraw/zinc/06/00/37/554060037.db2.gz PVQMCBOIFZZSFC-SFHVURJKSA-N 0 0 502.662 4.832 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000035556060 554060086 /nfs/dbraw/zinc/06/00/86/554060086.db2.gz JWHNXPBGZBJRCM-GOSISDBHSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000035556063 554060106 /nfs/dbraw/zinc/06/01/06/554060106.db2.gz JWHNXPBGZBJRCM-SFHVURJKSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000035556066 554060052 /nfs/dbraw/zinc/06/00/52/554060052.db2.gz YTPUEUMVLAEVID-GOSISDBHSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000035556069 554060031 /nfs/dbraw/zinc/06/00/31/554060031.db2.gz YTPUEUMVLAEVID-SFHVURJKSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000035556074 554060075 /nfs/dbraw/zinc/06/00/75/554060075.db2.gz XGMZCVVSTBDXFS-GOSISDBHSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000035556077 554060056 /nfs/dbraw/zinc/06/00/56/554060056.db2.gz XGMZCVVSTBDXFS-SFHVURJKSA-N 0 0 502.662 4.886 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000035556088 554060387 /nfs/dbraw/zinc/06/03/87/554060387.db2.gz HZNIGBYOOTVULA-MRXNPFEDSA-N 0 0 506.625 4.717 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000035556092 554060385 /nfs/dbraw/zinc/06/03/85/554060385.db2.gz HZNIGBYOOTVULA-INIZCTEOSA-N 0 0 506.625 4.717 50 0 KJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)sc3C)C2)cc1 ZINC000035556170 554060406 /nfs/dbraw/zinc/06/04/06/554060406.db2.gz IYYVKIYQPVQFJD-LJQANCHMSA-N 0 0 514.673 4.976 50 0 KJAARN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)sc3C)C2)cc1 ZINC000035556174 554060394 /nfs/dbraw/zinc/06/03/94/554060394.db2.gz IYYVKIYQPVQFJD-IBGZPJMESA-N 0 0 514.673 4.976 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2F)C1 ZINC000035556177 554060400 /nfs/dbraw/zinc/06/04/00/554060400.db2.gz JQOMNBVJPAOASM-INIZCTEOSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2F)C1 ZINC000035556180 554060381 /nfs/dbraw/zinc/06/03/81/554060381.db2.gz JQOMNBVJPAOASM-MRXNPFEDSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 ZINC000035556184 554060391 /nfs/dbraw/zinc/06/03/91/554060391.db2.gz YACMMAHEDSZSID-INIZCTEOSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 ZINC000035556187 554060389 /nfs/dbraw/zinc/06/03/89/554060389.db2.gz YACMMAHEDSZSID-MRXNPFEDSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000035556190 554060416 /nfs/dbraw/zinc/06/04/16/554060416.db2.gz ZZHBCYUQEGZMOS-INIZCTEOSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000035556194 554060424 /nfs/dbraw/zinc/06/04/24/554060424.db2.gz ZZHBCYUQEGZMOS-MRXNPFEDSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C)C1 ZINC000035556217 554060492 /nfs/dbraw/zinc/06/04/92/554060492.db2.gz UYPUNQSTSCXVFX-GOSISDBHSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C)C1 ZINC000035556220 554060536 /nfs/dbraw/zinc/06/05/36/554060536.db2.gz UYPUNQSTSCXVFX-SFHVURJKSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C2CCCCC2)C1 ZINC000035556233 554060574 /nfs/dbraw/zinc/06/05/74/554060574.db2.gz XDDCJDRIBLBASZ-SFHVURJKSA-N 0 0 506.694 4.566 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C2CCCCC2)C1 ZINC000035556237 554060608 /nfs/dbraw/zinc/06/06/08/554060608.db2.gz XDDCJDRIBLBASZ-GOSISDBHSA-N 0 0 506.694 4.566 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000035556279 554060519 /nfs/dbraw/zinc/06/05/19/554060519.db2.gz RUKFGIBKJNIKKA-QGZVFWFLSA-N 0 0 518.636 4.861 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000035556283 554060600 /nfs/dbraw/zinc/06/06/00/554060600.db2.gz RUKFGIBKJNIKKA-KRWDZBQOSA-N 0 0 518.636 4.861 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2C)C1 ZINC000035556287 554060591 /nfs/dbraw/zinc/06/05/91/554060591.db2.gz ATHSPKVGXUZLLV-QGZVFWFLSA-N 0 0 518.636 4.861 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2C)C1 ZINC000035556291 554060476 /nfs/dbraw/zinc/06/04/76/554060476.db2.gz ATHSPKVGXUZLLV-KRWDZBQOSA-N 0 0 518.636 4.861 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000035556294 554060481 /nfs/dbraw/zinc/06/04/81/554060481.db2.gz OBTIJLKIOONMDM-GOSISDBHSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000035556297 554060468 /nfs/dbraw/zinc/06/04/68/554060468.db2.gz OBTIJLKIOONMDM-SFHVURJKSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1 ZINC000035556307 554060561 /nfs/dbraw/zinc/06/05/61/554060561.db2.gz VHNAGAGVFXYAJW-GOSISDBHSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1 ZINC000035556310 554060613 /nfs/dbraw/zinc/06/06/13/554060613.db2.gz VHNAGAGVFXYAJW-SFHVURJKSA-N 0 0 500.646 4.722 50 0 KJAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)CC2)cc1 ZINC000035558095 554060904 /nfs/dbraw/zinc/06/09/04/554060904.db2.gz XBHIOFVXRDKDKO-UHFFFAOYSA-N 0 0 500.646 4.838 50 0 KJAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1 ZINC000035558116 554060923 /nfs/dbraw/zinc/06/09/23/554060923.db2.gz SDISQFBEEGVFOF-UHFFFAOYSA-N 0 0 511.000 4.507 50 0 KJAARN O=C(Nc1ccc(Cl)cc1F)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1 ZINC000035558119 554060861 /nfs/dbraw/zinc/06/08/61/554060861.db2.gz HUXCLNJRMIKVSY-UHFFFAOYSA-N 0 0 511.000 4.507 50 0 KJAARN O=C(Nc1cccc2c1CCCC2)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1 ZINC000035558148 554060848 /nfs/dbraw/zinc/06/08/48/554060848.db2.gz QCEWZPQYEATJKU-UHFFFAOYSA-N 0 0 512.657 4.594 50 0 KJAARN O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558181 554060808 /nfs/dbraw/zinc/06/08/08/554060808.db2.gz BKANIYMDVURZHE-UHFFFAOYSA-N 0 0 507.037 4.758 50 0 KJAARN O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558185 554060894 /nfs/dbraw/zinc/06/08/94/554060894.db2.gz ODVYAPLIZWAATH-UHFFFAOYSA-N 0 0 507.037 4.758 50 0 KJAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)CC2)c1C ZINC000035558201 554060911 /nfs/dbraw/zinc/06/09/11/554060911.db2.gz SNCDYLABYSQFSZ-UHFFFAOYSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558204 554060831 /nfs/dbraw/zinc/06/08/31/554060831.db2.gz KJLJLGOOMFDKIZ-UHFFFAOYSA-N 0 0 500.646 4.722 50 0 KJAARN CCN(C(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1)c1ccccc1 ZINC000035558208 554060864 /nfs/dbraw/zinc/06/08/64/554060864.db2.gz BHVJEXMYRBSXGE-UHFFFAOYSA-N 0 0 500.646 4.519 50 0 KJAARN CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558212 554060842 /nfs/dbraw/zinc/06/08/42/554060842.db2.gz ZRTGVUUUSFOCOY-UHFFFAOYSA-N 0 0 500.646 4.667 50 0 KJAARN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)CC2)cc1 ZINC000035558216 554060827 /nfs/dbraw/zinc/06/08/27/554060827.db2.gz OQXHRZRZRXQVFH-UHFFFAOYSA-N 0 0 500.646 4.667 50 0 KJAARN Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)CC2)c1 ZINC000035558255 554060918 /nfs/dbraw/zinc/06/09/18/554060918.db2.gz NAZGNKMLYSNDTI-UHFFFAOYSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)CC2)c(C)c1 ZINC000035558258 554061051 /nfs/dbraw/zinc/06/10/51/554061051.db2.gz QLKKXFFNSFFTRD-UHFFFAOYSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)CC2)cc1C ZINC000035558270 554061044 /nfs/dbraw/zinc/06/10/44/554061044.db2.gz AEIKDRNCSVYEAL-UHFFFAOYSA-N 0 0 500.646 4.722 50 0 KJAARN Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)CC2)c1 ZINC000035558279 554061129 /nfs/dbraw/zinc/06/11/29/554061129.db2.gz GTTODOBVZJHFCT-UHFFFAOYSA-N 0 0 500.646 4.722 50 0 KJAARN CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)CC2)c1 ZINC000035558292 554061031 /nfs/dbraw/zinc/06/10/31/554061031.db2.gz IYGQURKXSYPIRN-UHFFFAOYSA-N 0 0 500.646 4.667 50 0 KJAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)CC2)cc1F ZINC000035558296 554060984 /nfs/dbraw/zinc/06/09/84/554060984.db2.gz RTGZDPLQQRYCFF-UHFFFAOYSA-N 0 0 504.609 4.553 50 0 KJAARN Cc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558313 554061079 /nfs/dbraw/zinc/06/10/79/554061079.db2.gz MLMKSIITAIKQGG-UHFFFAOYSA-N 0 0 504.609 4.553 50 0 KJAARN O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558326 554061103 /nfs/dbraw/zinc/06/11/03/554061103.db2.gz LUFCEIYMGQLVCF-UHFFFAOYSA-N 0 0 507.037 4.758 50 0 KJAARN COc1cccc(N2CCN(c3nc4nn(Cc5ccccc5)c(N)c4c(-c4ccc(F)cc4)n3)CC2)c1 ZINC000035576963 554061501 /nfs/dbraw/zinc/06/15/01/554061501.db2.gz GWAWNHRAPNKLBV-UHFFFAOYSA-N 0 0 509.589 4.598 50 0 KJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)nc2-c1ccc(F)cc1 ZINC000035577081 554061470 /nfs/dbraw/zinc/06/14/70/554061470.db2.gz UMXDKTRKVYTFLJ-UHFFFAOYSA-N 0 0 515.543 4.804 50 0 KJAARN Cc1cc(C)nc(SCc2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nnn2-c2ccccc2)n1 ZINC000035590690 554061477 /nfs/dbraw/zinc/06/14/77/554061477.db2.gz PVNMMRYWIPCSDO-UHFFFAOYSA-N 0 0 520.062 4.582 50 0 KJAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(Cl)c1 ZINC000035619711 554061696 /nfs/dbraw/zinc/06/16/96/554061696.db2.gz IGPSQUBOMVXDRY-NRFANRHFSA-N 0 0 518.035 4.621 50 0 KJAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1cccc(Cl)c1 ZINC000035619713 554061646 /nfs/dbraw/zinc/06/16/46/554061646.db2.gz IGPSQUBOMVXDRY-OAQYLSRUSA-N 0 0 518.035 4.621 50 0 KJAARN CCCOc1ccc(C(O)=C2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035633362 554061663 /nfs/dbraw/zinc/06/16/63/554061663.db2.gz YFKDPQBDBKWUKB-AWRGLXIESA-N 0 0 506.452 4.978 50 0 KJAARN CCCOc1ccc(C(O)=C2[C@@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035633366 554061702 /nfs/dbraw/zinc/06/17/02/554061702.db2.gz YFKDPQBDBKWUKB-YZUZCNPQSA-N 0 0 506.452 4.978 50 0 KJAARN COc1cc(CN(C[C@@H]2CCCO2)c2ncnc3c2cnn3-c2ccccc2Cl)cc(OC)c1OC ZINC000035681867 554062995 /nfs/dbraw/zinc/06/29/95/554062995.db2.gz YAAAUXVVPFJEIW-SFHVURJKSA-N 0 0 509.994 4.680 50 0 KJAARN COc1cc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3-c2ccccc2Cl)cc(OC)c1OC ZINC000035681868 554062945 /nfs/dbraw/zinc/06/29/45/554062945.db2.gz YAAAUXVVPFJEIW-GOSISDBHSA-N 0 0 509.994 4.680 50 0 KJAARN COc1cc(CN(C[C@@H]2CCCO2)c2ncnc3c2cnn3-c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000035681886 554063016 /nfs/dbraw/zinc/06/30/16/554063016.db2.gz ZZVHCOZFCZIXSS-QFIPXVFZSA-N 0 0 503.603 4.644 50 0 KJAARN COc1cc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3-c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000035681887 554062954 /nfs/dbraw/zinc/06/29/54/554062954.db2.gz ZZVHCOZFCZIXSS-JOCHJYFZSA-N 0 0 503.603 4.644 50 0 KJAARN O=S(=O)(Nc1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccco2)C1)c1ccccc1 ZINC000035683994 554062855 /nfs/dbraw/zinc/06/28/55/554062855.db2.gz FSQVFTNHKFSTHH-DEOSSOPVSA-N 0 0 507.593 4.620 50 0 KJAARN O=S(=O)(Nc1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccco2)C1)c1ccccc1 ZINC000035683995 554063023 /nfs/dbraw/zinc/06/30/23/554063023.db2.gz FSQVFTNHKFSTHH-XMMPIXPASA-N 0 0 507.593 4.620 50 0 KJAARN CCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000035686886 554063234 /nfs/dbraw/zinc/06/32/34/554063234.db2.gz FWCJHEOGXMDRGG-MHZLTWQESA-N 0 0 507.675 4.849 50 0 KJAARN CCCC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000035686887 554063230 /nfs/dbraw/zinc/06/32/30/554063230.db2.gz FWCJHEOGXMDRGG-HHHXNRCGSA-N 0 0 507.675 4.849 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)[C@H](C)C1 ZINC000035688326 554063416 /nfs/dbraw/zinc/06/34/16/554063416.db2.gz DRJFIVOOXKYCPJ-SVMVAKDDSA-N 0 0 536.515 4.560 50 0 KJAARN CC[C@H](C)[C@@H](NC(=O)Nc1ccc(Br)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)[C@H](C)C1 ZINC000035688332 554063379 /nfs/dbraw/zinc/06/33/79/554063379.db2.gz DRJFIVOOXKYCPJ-NJNPRVFISA-N 0 0 536.515 4.560 50 0 KJAARN CCc1c(C(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)cnn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000035689580 554063384 /nfs/dbraw/zinc/06/33/84/554063384.db2.gz MMQURRVCNDLDCG-QGZVFWFLSA-N 0 0 521.593 4.823 50 0 KJAARN CCc1c(C(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)cnn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000035689582 554063413 /nfs/dbraw/zinc/06/34/13/554063413.db2.gz MMQURRVCNDLDCG-KRWDZBQOSA-N 0 0 521.593 4.823 50 0 KJAARN COCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)c1ccc(OC)cc1OC ZINC000035700093 554063657 /nfs/dbraw/zinc/06/36/57/554063657.db2.gz FYOBKTAWLNKKDY-UHFFFAOYSA-N 0 0 536.673 4.921 50 0 KJAARN COc1ccc(CCN(CCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)C(=O)CC(C)C)cc1OC ZINC000035701077 554064185 /nfs/dbraw/zinc/06/41/85/554064185.db2.gz WVLOZGYRHGOKDA-UHFFFAOYSA-N 0 0 510.660 4.977 50 0 KJAARN COCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000035702170 554064231 /nfs/dbraw/zinc/06/42/31/554064231.db2.gz GIXLRTLGILNMPB-UHFFFAOYSA-N 0 0 519.001 4.685 50 0 KJAARN COCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)CSc1ccccc1 ZINC000035702201 554064239 /nfs/dbraw/zinc/06/42/39/554064239.db2.gz TWQWSTBJHQBCHP-UHFFFAOYSA-N 0 0 500.624 4.745 50 0 KJAARN CCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000035704350 554064495 /nfs/dbraw/zinc/06/44/95/554064495.db2.gz SEGQLAZTILIHEN-UHFFFAOYSA-N 0 0 512.441 4.651 50 0 KJAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=O)c4ccccc4Cl)CC3)nn2)cc1 ZINC000035706079 554064670 /nfs/dbraw/zinc/06/46/70/554064670.db2.gz AOBZEVDHXODSAR-UHFFFAOYSA-N 0 0 520.077 4.943 50 0 KJAARN COCCCNC(=O)c1cc(NC(=O)Nc2cccc(C)c2)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000035707412 554065266 /nfs/dbraw/zinc/06/52/66/554065266.db2.gz AWHOPIVSGHEAEE-UHFFFAOYSA-N 0 0 531.657 4.741 50 0 KJAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C(C(=O)OCCOC)=C1C ZINC000035710357 554066057 /nfs/dbraw/zinc/06/60/57/554066057.db2.gz HUMSXRDKKKONLX-KYRCVXBYSA-N 0 0 509.647 4.781 50 0 KJAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C(C(=O)OCCOC)=C1C ZINC000035710358 554066053 /nfs/dbraw/zinc/06/60/53/554066053.db2.gz HUMSXRDKKKONLX-MMBGETBOSA-N 0 0 509.647 4.781 50 0 KJAARN CC(C)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccccc1Cl ZINC000035710417 554065954 /nfs/dbraw/zinc/06/59/54/554065954.db2.gz RMGZNZYHXIYCCU-UHFFFAOYSA-N 0 0 524.040 4.773 50 0 KJAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)C(C(=O)OCCOC)=C1C ZINC000035711578 554066616 /nfs/dbraw/zinc/06/66/16/554066616.db2.gz WMRNOGPNSDQCBO-QFIPXVFZSA-N 0 0 502.518 4.549 50 0 KJAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)C(C(=O)OCCOC)=C1C ZINC000035711579 554066563 /nfs/dbraw/zinc/06/65/63/554066563.db2.gz WMRNOGPNSDQCBO-JOCHJYFZSA-N 0 0 502.518 4.549 50 0 KJAARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)C(C(=O)OCCOC)=C1C ZINC000035712123 554066785 /nfs/dbraw/zinc/06/67/85/554066785.db2.gz NBFSRQZEOGPLAT-QFIPXVFZSA-N 0 0 500.983 4.924 50 0 KJAARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)C(C(=O)OCCOC)=C1C ZINC000035712124 554066859 /nfs/dbraw/zinc/06/68/59/554066859.db2.gz NBFSRQZEOGPLAT-JOCHJYFZSA-N 0 0 500.983 4.924 50 0 KJAARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)C(C(=O)OCCOC)=C1C ZINC000035712130 554066863 /nfs/dbraw/zinc/06/68/63/554066863.db2.gz UPFAJOKDBLEUSC-QFIPXVFZSA-N 0 0 500.983 4.924 50 0 KJAARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)C(C(=O)OCCOC)=C1C ZINC000035712132 554066779 /nfs/dbraw/zinc/06/67/79/554066779.db2.gz UPFAJOKDBLEUSC-JOCHJYFZSA-N 0 0 500.983 4.924 50 0 KJAARN CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc(F)cc2)C1=O ZINC000035712690 554067076 /nfs/dbraw/zinc/06/70/76/554067076.db2.gz OEVAIJBMMGGWJY-UHFFFAOYSA-O 0 0 503.941 4.552 50 0 KJAARN CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(Cc2ccccc2)C1=O ZINC000035712740 554067110 /nfs/dbraw/zinc/06/71/10/554067110.db2.gz UXDGQCUSRFMHSP-UHFFFAOYSA-O 0 0 514.005 4.717 50 0 KJAARN COc1ccccc1N1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2C(=O)NC2CC2)CC1 ZINC000035723086 554067403 /nfs/dbraw/zinc/06/74/03/554067403.db2.gz CUFGAVNEFJDWJR-UHFFFAOYSA-N 0 0 521.568 4.836 50 0 KJAARN COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000035723583 554067328 /nfs/dbraw/zinc/06/73/28/554067328.db2.gz SDOKGICMGXKPNL-QFIPXVFZSA-N 0 0 507.015 4.776 50 0 KJAARN COc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000035723586 554067645 /nfs/dbraw/zinc/06/76/45/554067645.db2.gz SDOKGICMGXKPNL-JOCHJYFZSA-N 0 0 507.015 4.776 50 0 KJAARN COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000035723598 554067619 /nfs/dbraw/zinc/06/76/19/554067619.db2.gz BWMWFNFYDZJFRX-QFIPXVFZSA-N 0 0 523.014 4.856 50 0 KJAARN COc1cc(OC)cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000035723601 554067628 /nfs/dbraw/zinc/06/76/28/554067628.db2.gz BWMWFNFYDZJFRX-JOCHJYFZSA-N 0 0 523.014 4.856 50 0 KJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)OCO2 ZINC000035723608 554067666 /nfs/dbraw/zinc/06/76/66/554067666.db2.gz MOZFGWQMIZXBTE-IBGZPJMESA-N 0 0 506.971 4.567 50 0 KJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)OCO2 ZINC000035723611 554067672 /nfs/dbraw/zinc/06/76/72/554067672.db2.gz MOZFGWQMIZXBTE-LJQANCHMSA-N 0 0 506.971 4.567 50 0 KJAARN COc1cccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)COc3ccc(Cl)cc3)s2)c1 ZINC000035724081 554067788 /nfs/dbraw/zinc/06/77/88/554067788.db2.gz WXGKCPHMYXUPFX-JOCHJYFZSA-N 0 0 523.014 4.612 50 0 KJAARN COc1cccc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NC(=O)COc3ccc(Cl)cc3)s2)c1 ZINC000035724083 554067819 /nfs/dbraw/zinc/06/78/19/554067819.db2.gz WXGKCPHMYXUPFX-QFIPXVFZSA-N 0 0 523.014 4.612 50 0 KJAARN CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000035724720 554068102 /nfs/dbraw/zinc/06/81/02/554068102.db2.gz LRQHMGLLGDPOMT-SFHVURJKSA-N 0 0 502.438 4.617 50 0 KJAARN CCCCNC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000035724722 554068035 /nfs/dbraw/zinc/06/80/35/554068035.db2.gz LRQHMGLLGDPOMT-GOSISDBHSA-N 0 0 502.438 4.617 50 0 KJAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1F ZINC000035724751 554068039 /nfs/dbraw/zinc/06/80/39/554068039.db2.gz QJFTXNASZZWLSM-INIZCTEOSA-N 0 0 508.348 4.881 50 0 KJAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1F ZINC000035724753 554068051 /nfs/dbraw/zinc/06/80/51/554068051.db2.gz QJFTXNASZZWLSM-MRXNPFEDSA-N 0 0 508.348 4.881 50 0 KJAARN COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1 ZINC000035725291 554068286 /nfs/dbraw/zinc/06/82/86/554068286.db2.gz ISWGVGZSFGSGTM-QGZVFWFLSA-N 0 0 502.394 4.611 50 0 KJAARN COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2nnc(-c3cccc(Br)c3)s2)c1 ZINC000035725294 554068314 /nfs/dbraw/zinc/06/83/14/554068314.db2.gz ISWGVGZSFGSGTM-KRWDZBQOSA-N 0 0 502.394 4.611 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 ZINC000035725310 554068304 /nfs/dbraw/zinc/06/83/04/554068304.db2.gz JCARECKCSXVRKB-QFIPXVFZSA-N 0 0 506.653 4.659 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 ZINC000035725312 554068301 /nfs/dbraw/zinc/06/83/01/554068301.db2.gz JCARECKCSXVRKB-JOCHJYFZSA-N 0 0 506.653 4.659 50 0 KJAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725489 554068257 /nfs/dbraw/zinc/06/82/57/554068257.db2.gz XXSWZZFIQRTOGB-ZHRRBRCNSA-N 0 0 510.641 4.699 50 0 KJAARN CC[C@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725491 554068310 /nfs/dbraw/zinc/06/83/10/554068310.db2.gz XXSWZZFIQRTOGB-AOMKIAJQSA-N 0 0 510.641 4.699 50 0 KJAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725493 554068265 /nfs/dbraw/zinc/06/82/65/554068265.db2.gz XXSWZZFIQRTOGB-OPAMFIHVSA-N 0 0 510.641 4.699 50 0 KJAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725495 554068263 /nfs/dbraw/zinc/06/82/63/554068263.db2.gz XXSWZZFIQRTOGB-KSFYIVLOSA-N 0 0 510.641 4.699 50 0 KJAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725497 554068274 /nfs/dbraw/zinc/06/82/74/554068274.db2.gz GNHRLNNYWVVMNI-IERDGZPVSA-N 0 0 516.689 4.843 50 0 KJAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725499 554068254 /nfs/dbraw/zinc/06/82/54/554068254.db2.gz GNHRLNNYWVVMNI-KKSFZXQISA-N 0 0 516.689 4.843 50 0 KJAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725501 554068292 /nfs/dbraw/zinc/06/82/92/554068292.db2.gz GNHRLNNYWVVMNI-IIBYNOLFSA-N 0 0 516.689 4.843 50 0 KJAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000035725503 554068284 /nfs/dbraw/zinc/06/82/84/554068284.db2.gz GNHRLNNYWVVMNI-HRAATJIYSA-N 0 0 516.689 4.843 50 0 KJAARN CCOC(=O)C1=C(C)N(CC(=O)NC2CCCCC2)C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000035726782 554068631 /nfs/dbraw/zinc/06/86/31/554068631.db2.gz QNZSFBCBHNFRTG-AREMUKBSSA-N 0 0 504.627 4.868 50 0 KJAARN CCOC(=O)C1=C(C)N(CC(=O)NC2CCCCC2)C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000035726785 554068600 /nfs/dbraw/zinc/06/86/00/554068600.db2.gz QNZSFBCBHNFRTG-SANMLTNESA-N 0 0 504.627 4.868 50 0 KJAARN CCCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N[C@@H](C)c3ccccc3)n2)C[C@@H]1C ZINC000035726895 554068619 /nfs/dbraw/zinc/06/86/19/554068619.db2.gz RUTQCPUOZJEMMO-OALUTQOASA-N 0 0 504.100 4.717 50 0 KJAARN CCCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N[C@@H](C)c3ccccc3)n2)C[C@H]1C ZINC000035726897 554068523 /nfs/dbraw/zinc/06/85/23/554068523.db2.gz RUTQCPUOZJEMMO-MOPGFXCFSA-N 0 0 504.100 4.717 50 0 KJAARN CCCCNC(=O)CSc1nc(Cl)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)[C@H](C)C2)n1 ZINC000035726974 554068561 /nfs/dbraw/zinc/06/85/61/554068561.db2.gz CBUWDJBHZSWGHL-OAHLLOKOSA-N 0 0 511.479 4.534 50 0 KJAARN CCCCNC(=O)CSc1nc(Cl)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H](C)C2)n1 ZINC000035726977 554068578 /nfs/dbraw/zinc/06/85/78/554068578.db2.gz CBUWDJBHZSWGHL-HNNXBMFYSA-N 0 0 511.479 4.534 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3cc(Cl)nc(SCC(=O)N4CCC(C)CC4)n3)C[C@@H]2C)c1 ZINC000035727261 554068769 /nfs/dbraw/zinc/06/87/69/554068769.db2.gz CWSFMDHAIFNALF-IBGZPJMESA-N 0 0 517.099 4.532 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3cc(Cl)nc(SCC(=O)N4CCC(C)CC4)n3)C[C@H]2C)c1 ZINC000035727264 554068721 /nfs/dbraw/zinc/06/87/21/554068721.db2.gz CWSFMDHAIFNALF-LJQANCHMSA-N 0 0 517.099 4.532 50 0 KJAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1 ZINC000035729121 554069009 /nfs/dbraw/zinc/06/90/09/554069009.db2.gz RCMGMIHOUFLAAQ-HXOBKFHXSA-N 0 0 523.684 4.756 50 0 KJAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1 ZINC000035729122 554068974 /nfs/dbraw/zinc/06/89/74/554068974.db2.gz RCMGMIHOUFLAAQ-SBUREZEXSA-N 0 0 523.684 4.756 50 0 KJAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1 ZINC000035729123 554069026 /nfs/dbraw/zinc/06/90/26/554069026.db2.gz RCMGMIHOUFLAAQ-UZUQRXQVSA-N 0 0 523.684 4.756 50 0 KJAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1 ZINC000035729124 554069061 /nfs/dbraw/zinc/06/90/61/554069061.db2.gz RCMGMIHOUFLAAQ-GAJHUEQPSA-N 0 0 523.684 4.756 50 0 KJAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1 ZINC000035729129 554069106 /nfs/dbraw/zinc/06/91/06/554069106.db2.gz RFPYSFKWXUZBGF-VGSWGCGISA-N 0 0 529.732 4.900 50 0 KJAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1 ZINC000035729130 554069004 /nfs/dbraw/zinc/06/90/04/554069004.db2.gz RFPYSFKWXUZBGF-JTSKRJEESA-N 0 0 529.732 4.900 50 0 KJAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1 ZINC000035729131 554068983 /nfs/dbraw/zinc/06/89/83/554068983.db2.gz RFPYSFKWXUZBGF-VGOFRKELSA-N 0 0 529.732 4.900 50 0 KJAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1 ZINC000035729132 554069054 /nfs/dbraw/zinc/06/90/54/554069054.db2.gz RFPYSFKWXUZBGF-HTAPYJJXSA-N 0 0 529.732 4.900 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000035729332 554069113 /nfs/dbraw/zinc/06/91/13/554069113.db2.gz PAVHUGSYGBDNRM-NRFANRHFSA-N 0 0 510.978 4.743 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000035729333 554069043 /nfs/dbraw/zinc/06/90/43/554069043.db2.gz PAVHUGSYGBDNRM-OAQYLSRUSA-N 0 0 510.978 4.743 50 0 KJAARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000035729354 554069303 /nfs/dbraw/zinc/06/93/03/554069303.db2.gz DDABOBXWHQUTQY-BODNZJIQSA-N 0 0 517.542 4.632 50 0 KJAARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000035729355 554069258 /nfs/dbraw/zinc/06/92/58/554069258.db2.gz DDABOBXWHQUTQY-URWPNFCTSA-N 0 0 517.542 4.632 50 0 KJAARN COc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(N(C)C)cc3)s2)c1 ZINC000035729416 554069325 /nfs/dbraw/zinc/06/93/25/554069325.db2.gz ATGAMZIVJPIESO-HSZRJFAPSA-N 0 0 516.627 4.651 50 0 KJAARN COc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(N(C)C)cc3)s2)c1 ZINC000035729417 554069309 /nfs/dbraw/zinc/06/93/09/554069309.db2.gz ATGAMZIVJPIESO-QHCPKHFHSA-N 0 0 516.627 4.651 50 0 KJAARN Cc1cccc(C)c1NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729422 554069260 /nfs/dbraw/zinc/06/92/60/554069260.db2.gz WHBCCGDRLRZIOY-FQEVSTJZSA-N 0 0 515.595 4.922 50 0 KJAARN Cc1cccc(C)c1NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000035729423 554069235 /nfs/dbraw/zinc/06/92/35/554069235.db2.gz WHBCCGDRLRZIOY-HXUWFJFHSA-N 0 0 515.595 4.922 50 0 KJAARN O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000035729470 554069204 /nfs/dbraw/zinc/06/92/04/554069204.db2.gz OCDCJDDIHFLKLL-CQSZACIVSA-N 0 0 506.371 4.876 50 0 KJAARN O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000035729471 554069273 /nfs/dbraw/zinc/06/92/73/554069273.db2.gz OCDCJDDIHFLKLL-AWEZNQCLSA-N 0 0 506.371 4.876 50 0 KJAARN O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000035729472 554069320 /nfs/dbraw/zinc/06/93/20/554069320.db2.gz ZNWXOTJFONUSLI-HNNXBMFYSA-N 0 0 506.371 4.876 50 0 KJAARN O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000035729473 554069627 /nfs/dbraw/zinc/06/96/27/554069627.db2.gz ZNWXOTJFONUSLI-OAHLLOKOSA-N 0 0 506.371 4.876 50 0 KJAARN O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)[C@H]1CCCN1C(=O)Nc1c(Cl)cccc1Cl ZINC000035729494 554069583 /nfs/dbraw/zinc/06/95/83/554069583.db2.gz FCGKJOBXVOJUSR-CQSZACIVSA-N 0 0 506.371 4.876 50 0 KJAARN O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)[C@@H]1CCCN1C(=O)Nc1c(Cl)cccc1Cl ZINC000035729495 554069553 /nfs/dbraw/zinc/06/95/53/554069553.db2.gz FCGKJOBXVOJUSR-AWEZNQCLSA-N 0 0 506.371 4.876 50 0 KJAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000035729516 554069602 /nfs/dbraw/zinc/06/96/02/554069602.db2.gz JVWWMQPLDKADJI-FQEVSTJZSA-N 0 0 508.427 4.570 50 0 KJAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000035729517 554069576 /nfs/dbraw/zinc/06/95/76/554069576.db2.gz JVWWMQPLDKADJI-HXUWFJFHSA-N 0 0 508.427 4.570 50 0 KJAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C(C(=O)OCCOC)=C1C ZINC000035729590 554069594 /nfs/dbraw/zinc/06/95/94/554069594.db2.gz NSOAPULCZZKWCN-NRFANRHFSA-N 0 0 522.454 4.960 50 0 KJAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C(C(=O)OCCOC)=C1C ZINC000035729591 554069549 /nfs/dbraw/zinc/06/95/49/554069549.db2.gz NSOAPULCZZKWCN-OAQYLSRUSA-N 0 0 522.454 4.960 50 0 KJAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NC(=O)Nc2ccccc2Br)cc1 ZINC000035729712 554069599 /nfs/dbraw/zinc/06/95/99/554069599.db2.gz RURWQAATXICZMJ-LJQANCHMSA-N 0 0 503.422 4.791 50 0 KJAARN CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(NC(=O)Nc2ccccc2Br)cc1 ZINC000035729713 554069641 /nfs/dbraw/zinc/06/96/41/554069641.db2.gz RURWQAATXICZMJ-IBGZPJMESA-N 0 0 503.422 4.791 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000035730787 554069815 /nfs/dbraw/zinc/06/98/15/554069815.db2.gz VSYHAFDOHHNFRV-SANMLTNESA-N 0 0 505.018 4.515 50 0 KJAARN COCCN1C(=O)c2ccccc2[C@@H]1Nc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000035730788 554069843 /nfs/dbraw/zinc/06/98/43/554069843.db2.gz VSYHAFDOHHNFRV-AREMUKBSSA-N 0 0 505.018 4.515 50 0 KJAARN Cc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)Nc2ccccc2)CN3c2ccccc2)cc1C ZINC000035744298 554070134 /nfs/dbraw/zinc/07/01/34/554070134.db2.gz ZRFSIJASABGUQA-UHFFFAOYSA-N 0 0 511.626 4.615 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000035744725 554070040 /nfs/dbraw/zinc/07/00/40/554070040.db2.gz GZBJVAWGSLSTLY-UHFFFAOYSA-N 0 0 504.562 4.538 50 0 KJAARN CCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000035745509 554070398 /nfs/dbraw/zinc/07/03/98/554070398.db2.gz UZSDZQZBXBPRGU-UHFFFAOYSA-N 0 0 507.475 4.590 50 0 KJAARN COc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)c4ccccc4Br)cc3)CC2)cc1 ZINC000035746480 554070400 /nfs/dbraw/zinc/07/04/00/554070400.db2.gz ZAHONQBCSNFYJC-UHFFFAOYSA-N 0 0 508.416 4.601 50 0 KJAARN COc1ccc(CC(=O)N2CCN(c3ccc(NS(=O)(=O)c4cccc5ccccc54)cc3)CC2)cc1 ZINC000035746544 554070410 /nfs/dbraw/zinc/07/04/10/554070410.db2.gz AHZKDILIKDZERI-UHFFFAOYSA-N 0 0 515.635 4.541 50 0 KJAARN COc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C2CC2)cc1 ZINC000035753725 554070390 /nfs/dbraw/zinc/07/03/90/554070390.db2.gz VUEYICVWKLBLJM-UHFFFAOYSA-N 0 0 525.605 4.781 50 0 KJAARN O=C(CN(C(=O)c1ccc2c(c1)OCO2)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1 ZINC000035754046 554070519 /nfs/dbraw/zinc/07/05/19/554070519.db2.gz RTNMFSHWXXIQRU-UHFFFAOYSA-N 0 0 513.569 4.912 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccco2)C(C)(C)C)c1 ZINC000035764608 554071053 /nfs/dbraw/zinc/07/10/53/554071053.db2.gz YHAPIPYEGYFDCD-UHFFFAOYSA-N 0 0 508.615 4.818 50 0 KJAARN CCCCc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(CCc2ccccc2)Cc2ccco2)cc1 ZINC000035764638 554071152 /nfs/dbraw/zinc/07/11/52/554071152.db2.gz OZCKNJOPUFCWKU-UHFFFAOYSA-N 0 0 531.697 4.668 50 0 KJAARN CCc1ccc(C(=O)N(CCCOC)CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccco2)cc1 ZINC000035765016 554071135 /nfs/dbraw/zinc/07/11/35/554071135.db2.gz HQOHHOZMIAOHDW-UHFFFAOYSA-N 0 0 522.642 4.609 50 0 KJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)C(=O)C[C@@H](C)CC(C)(C)C)o1 ZINC000035765712 554071385 /nfs/dbraw/zinc/07/13/85/554071385.db2.gz UMJHYKJMEGIYNG-HSZRJFAPSA-N 0 0 529.697 4.879 50 0 KJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)C(=O)C[C@H](C)CC(C)(C)C)o1 ZINC000035765715 554071371 /nfs/dbraw/zinc/07/13/71/554071371.db2.gz UMJHYKJMEGIYNG-QHCPKHFHSA-N 0 0 529.697 4.879 50 0 KJAARN CCCC[C@@H](CC)C(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035765716 554071525 /nfs/dbraw/zinc/07/15/25/554071525.db2.gz YPVJGXWADLOYHD-RUZDIDTESA-N 0 0 515.670 4.633 50 0 KJAARN CCCC[C@H](CC)C(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035765719 554071397 /nfs/dbraw/zinc/07/13/97/554071397.db2.gz YPVJGXWADLOYHD-VWLOTQADSA-N 0 0 515.670 4.633 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)c1ccc(OC)cc1OC ZINC000035765934 554071447 /nfs/dbraw/zinc/07/14/47/554071447.db2.gz PRHAVRLJKVBTNH-UHFFFAOYSA-N 0 0 508.615 4.703 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CC)cc1 ZINC000035766030 554071413 /nfs/dbraw/zinc/07/14/13/554071413.db2.gz VDWJZADVOJXAQC-UHFFFAOYSA-N 0 0 520.626 4.977 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C(=O)c1ccc(OC)cc1OC ZINC000035766087 554071440 /nfs/dbraw/zinc/07/14/40/554071440.db2.gz LHEAHKDAXJHYKY-UHFFFAOYSA-N 0 0 526.605 4.842 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000035766464 554071700 /nfs/dbraw/zinc/07/17/00/554071700.db2.gz BWXHKDXFHLFFMJ-UHFFFAOYSA-N 0 0 528.005 4.988 50 0 KJAARN CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1cccc2cccnc21 ZINC000035766502 554071643 /nfs/dbraw/zinc/07/16/43/554071643.db2.gz UIZWYKLATAMSMU-UHFFFAOYSA-N 0 0 505.640 4.746 50 0 KJAARN O=C(CN(CCCN1CCOCC1)C(=O)c1ccc2ccccc2c1)N(Cc1ccco1)Cc1ccccc1 ZINC000035767185 554071679 /nfs/dbraw/zinc/07/16/79/554071679.db2.gz TVYFWPYUVQYGQM-UHFFFAOYSA-N 0 0 525.649 4.826 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C(=O)c1cccc(Cl)c1 ZINC000035767657 554071555 /nfs/dbraw/zinc/07/15/55/554071555.db2.gz IINPPHYEQPXSJR-UHFFFAOYSA-N 0 0 512.990 4.760 50 0 KJAARN Cc1ccc(NC(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1C ZINC000035767801 554071881 /nfs/dbraw/zinc/07/18/81/554071881.db2.gz JTSXGONNJAVNEU-UHFFFAOYSA-N 0 0 518.658 4.682 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000035767904 554071976 /nfs/dbraw/zinc/07/19/76/554071976.db2.gz FFBGNUYFVUYMKB-UHFFFAOYSA-N 0 0 530.662 4.990 50 0 KJAARN O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1)NCCN1CCOCC1 ZINC000035768389 554071955 /nfs/dbraw/zinc/07/19/55/554071955.db2.gz LQXDALWLOYHIFA-MHZLTWQESA-N 0 0 503.593 4.938 50 0 KJAARN O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1)NCCN1CCOCC1 ZINC000035768390 554071889 /nfs/dbraw/zinc/07/18/89/554071889.db2.gz LQXDALWLOYHIFA-HHHXNRCGSA-N 0 0 503.593 4.938 50 0 KJAARN COc1ccc(C(=O)N(Cc2cccc(OS(=O)(=O)c3ccc(F)cc3)c2)CC(C)C)c(OC)c1 ZINC000035770009 554072530 /nfs/dbraw/zinc/07/25/30/554072530.db2.gz PMMCTCLOZFDZQB-UHFFFAOYSA-N 0 0 501.576 4.909 50 0 KJAARN CCCCC(=O)N(CCOC)Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000035770175 554072562 /nfs/dbraw/zinc/07/25/62/554072562.db2.gz JFXAHTNEKVJAEJ-UHFFFAOYSA-N 0 0 503.539 4.647 50 0 KJAARN COc1ccc(CN(CC(C)C)C(=O)c2ccccc2OC)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000035770208 554072482 /nfs/dbraw/zinc/07/24/82/554072482.db2.gz UGQIUGDRVZKTTI-UHFFFAOYSA-N 0 0 501.576 4.909 50 0 KJAARN COc1ccc(CN(CC(C)C)C(=O)NCc2ccccc2)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000035770449 554072804 /nfs/dbraw/zinc/07/28/04/554072804.db2.gz MKIQOYBZROZBRO-UHFFFAOYSA-N 0 0 500.592 4.970 50 0 KJAARN CC(C)CN(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)OCO2 ZINC000035771022 554073031 /nfs/dbraw/zinc/07/30/31/554073031.db2.gz LBXQAPNFKYAVJI-UHFFFAOYSA-N 0 0 508.596 4.533 50 0 KJAARN COCCCN(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C(=O)CSc1ccccc1 ZINC000035771083 554073117 /nfs/dbraw/zinc/07/31/17/554073117.db2.gz IZWROURAIQAXKO-UHFFFAOYSA-N 0 0 526.680 4.663 50 0 KJAARN COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)c1ccc(F)cc1 ZINC000035773761 554073251 /nfs/dbraw/zinc/07/32/51/554073251.db2.gz FHOOZYVHCDZLMK-UHFFFAOYSA-N 0 0 528.646 4.573 50 0 KJAARN COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)CC(C)C ZINC000035773864 554073645 /nfs/dbraw/zinc/07/36/45/554073645.db2.gz OWSPKSXWWWDODH-UHFFFAOYSA-N 0 0 504.693 4.556 50 0 KJAARN COCCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)c1ccc(OC)cc1OC ZINC000035774089 554073592 /nfs/dbraw/zinc/07/35/92/554073592.db2.gz PRRUDZNSSUNWHT-UHFFFAOYSA-N 0 0 514.619 4.530 50 0 KJAARN CC(C)CN(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)S(=O)(=O)/C=C/c1ccccc1 ZINC000035775628 554074138 /nfs/dbraw/zinc/07/41/38/554074138.db2.gz KSJWZQIJKKCYHQ-WYMLVPIESA-N 0 0 526.680 4.964 50 0 KJAARN O=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)N(Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000035775638 554074181 /nfs/dbraw/zinc/07/41/81/554074181.db2.gz WQCYKEWTKIUNKI-UHFFFAOYSA-N 0 0 519.044 4.512 50 0 KJAARN CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)n1 ZINC000035777796 554074409 /nfs/dbraw/zinc/07/44/09/554074409.db2.gz MKKBLEHQQQJOHF-UHFFFAOYSA-N 0 0 502.571 4.928 50 0 KJAARN CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)n1 ZINC000035777848 554074397 /nfs/dbraw/zinc/07/43/97/554074397.db2.gz FBTXSUHNBQYFNA-UHFFFAOYSA-N 0 0 502.571 4.928 50 0 KJAARN CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CCC(=O)OCC)cc2)n1 ZINC000035778146 554074615 /nfs/dbraw/zinc/07/46/15/554074615.db2.gz CTYBLBQXELMUDO-UHFFFAOYSA-N 0 0 520.508 4.650 50 0 KJAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 ZINC000035780844 554074679 /nfs/dbraw/zinc/07/46/79/554074679.db2.gz OZMFPBQOYXWXSU-MTTNDXRRSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN COc1ccc(OC)c([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000035786942 554074631 /nfs/dbraw/zinc/07/46/31/554074631.db2.gz KCJXIWXJTBCBTC-LJAQVGFWSA-N 0 0 530.644 4.960 50 0 KJAARN COc1ccc(OC)c([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000035786946 554074557 /nfs/dbraw/zinc/07/45/57/554074557.db2.gz KCJXIWXJTBCBTC-GDLZYMKVSA-N 0 0 530.644 4.960 50 0 KJAARN CCOCCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)n1 ZINC000035793860 554074723 /nfs/dbraw/zinc/07/47/23/554074723.db2.gz DLIFTKVCVZOHMP-UHFFFAOYSA-N 0 0 506.534 4.758 50 0 KJAARN CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)CCC(=O)OCC ZINC000035799066 554075107 /nfs/dbraw/zinc/07/51/07/554075107.db2.gz FZYQTXWYERZESN-UHFFFAOYSA-N 0 0 532.703 4.617 50 0 KJAARN CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)CC(C)C ZINC000035799076 554075164 /nfs/dbraw/zinc/07/51/64/554075164.db2.gz NOLDXHRPUYTCTH-UHFFFAOYSA-N 0 0 518.720 4.946 50 0 KJAARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000035805199 554075355 /nfs/dbraw/zinc/07/53/55/554075355.db2.gz MXTMUXIRRMPEBU-JVEQCXONSA-N 0 0 522.686 4.706 50 0 KJAARN CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1 ZINC000035806623 554075650 /nfs/dbraw/zinc/07/56/50/554075650.db2.gz AHVFVTOCKBARGD-UHFFFAOYSA-N 0 0 518.595 4.809 50 0 KJAARN CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)n1 ZINC000035806625 554075642 /nfs/dbraw/zinc/07/56/42/554075642.db2.gz COXVHPXCDBZYEV-BJKOFHAPSA-N 0 0 512.566 4.821 50 0 KJAARN CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)n1 ZINC000035806627 554075662 /nfs/dbraw/zinc/07/56/62/554075662.db2.gz COXVHPXCDBZYEV-ZEQRLZLVSA-N 0 0 512.566 4.821 50 0 KJAARN CCOCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 ZINC000035806629 554075667 /nfs/dbraw/zinc/07/56/67/554075667.db2.gz GISZPHFDLCHERA-UHFFFAOYSA-N 0 0 506.946 4.984 50 0 KJAARN CC(C)CN(CC(=O)Nc1nc(CC(=O)N2CCCCC2)cs1)C(=O)c1ccc(Cl)cc1Cl ZINC000035807728 554076594 /nfs/dbraw/zinc/07/65/94/554076594.db2.gz BAPZFSUZUNMADA-UHFFFAOYSA-N 0 0 511.475 4.742 50 0 KJAARN CC(C)CN(CC(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2)cs1)C(=O)c1ccc(Cl)cc1 ZINC000035807733 554076551 /nfs/dbraw/zinc/07/65/51/554076551.db2.gz RBDCDMBBSSIFCF-UHFFFAOYSA-N 0 0 502.999 4.854 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2csc(CN(Cc3ccc(C)cc3)Cc3ccc(F)cc3)n2)CC1 ZINC000035807993 554076751 /nfs/dbraw/zinc/07/67/51/554076751.db2.gz CSOBZBOEKHPKCG-UHFFFAOYSA-N 0 0 510.635 4.707 50 0 KJAARN CC(C)(C)c1ccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)cs2)Cc2ccc(F)cc2)cc1 ZINC000035808019 554076690 /nfs/dbraw/zinc/07/66/90/554076690.db2.gz UGFZZZYGWSMQNF-UHFFFAOYSA-N 0 0 524.706 4.844 50 0 KJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)c1ccc(F)cc1 ZINC000035808122 554076719 /nfs/dbraw/zinc/07/67/19/554076719.db2.gz HFHVJGYAKRIDNK-UHFFFAOYSA-N 0 0 512.603 4.632 50 0 KJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C)cc1 ZINC000035808123 554076758 /nfs/dbraw/zinc/07/67/58/554076758.db2.gz REQNHLVZYSKBJG-UHFFFAOYSA-N 0 0 508.640 4.801 50 0 KJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)c1cccs1 ZINC000035808125 554076755 /nfs/dbraw/zinc/07/67/55/554076755.db2.gz KQDQMNBPSSHZTR-UHFFFAOYSA-N 0 0 500.642 4.554 50 0 KJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1F ZINC000035808127 554076757 /nfs/dbraw/zinc/07/67/57/554076757.db2.gz YBHJNJJCQZOVJM-UHFFFAOYSA-N 0 0 512.603 4.632 50 0 KJAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C[C@@H]1CCCO1)C(=O)c1ccccc1C ZINC000035808136 554076715 /nfs/dbraw/zinc/07/67/15/554076715.db2.gz NNFOAFGZPHRYFG-QHCPKHFHSA-N 0 0 520.651 4.944 50 0 KJAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C[C@H]1CCCO1)C(=O)c1ccccc1C ZINC000035808137 554076679 /nfs/dbraw/zinc/07/66/79/554076679.db2.gz NNFOAFGZPHRYFG-HSZRJFAPSA-N 0 0 520.651 4.944 50 0 KJAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F ZINC000035808138 554076760 /nfs/dbraw/zinc/07/67/60/554076760.db2.gz BHWMTMRBLNWTLV-NRFANRHFSA-N 0 0 524.614 4.775 50 0 KJAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C[C@H]1CCCO1)C(=O)c1ccccc1F ZINC000035808139 554076702 /nfs/dbraw/zinc/07/67/02/554076702.db2.gz BHWMTMRBLNWTLV-OAQYLSRUSA-N 0 0 524.614 4.775 50 0 KJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2C)s1 ZINC000035808165 554076927 /nfs/dbraw/zinc/07/69/27/554076927.db2.gz JGXVDCRSLMQAPN-UHFFFAOYSA-N 0 0 523.674 4.507 50 0 KJAARN CCOCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)Cc1ccccc1 ZINC000035808216 554076948 /nfs/dbraw/zinc/07/69/48/554076948.db2.gz GMQAOQHMLXUJMP-UHFFFAOYSA-N 0 0 522.667 4.812 50 0 KJAARN COCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C ZINC000035808283 554076981 /nfs/dbraw/zinc/07/69/81/554076981.db2.gz OVBDITWGJPEDBM-UHFFFAOYSA-N 0 0 509.628 4.803 50 0 KJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1 ZINC000035808287 554076957 /nfs/dbraw/zinc/07/69/57/554076957.db2.gz NMPWJTJXWGGTQK-UHFFFAOYSA-N 0 0 509.628 4.885 50 0 KJAARN CC[C@@H](C)N(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000035808331 554077319 /nfs/dbraw/zinc/07/73/19/554077319.db2.gz ZPVWWLICPWYMAO-HXUWFJFHSA-N 0 0 514.669 4.803 50 0 KJAARN CC[C@H](C)N(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000035808332 554077207 /nfs/dbraw/zinc/07/72/07/554077207.db2.gz ZPVWWLICPWYMAO-FQEVSTJZSA-N 0 0 514.669 4.803 50 0 KJAARN CCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1 ZINC000035808333 554077289 /nfs/dbraw/zinc/07/72/89/554077289.db2.gz JCGMJIOYPSHFSH-UHFFFAOYSA-N 0 0 514.669 4.723 50 0 KJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCC2)S(=O)(=O)c2ccccc2)s1 ZINC000035808339 554077280 /nfs/dbraw/zinc/07/72/80/554077280.db2.gz JBUXGSDCRRTXQS-UHFFFAOYSA-N 0 0 529.703 4.511 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000035808340 554077309 /nfs/dbraw/zinc/07/73/09/554077309.db2.gz MUPGRGLLMVTVDE-UHFFFAOYSA-N 0 0 525.067 4.715 50 0 KJAARN CCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000035808346 554077229 /nfs/dbraw/zinc/07/72/29/554077229.db2.gz GLUZKONKBJTMMD-UHFFFAOYSA-N 0 0 514.669 4.805 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(=O)CCc2ccccc2)C2CC2)cc1OC ZINC000035809011 554077516 /nfs/dbraw/zinc/07/75/16/554077516.db2.gz RISKXMCZHONYSN-UHFFFAOYSA-N 0 0 504.627 4.800 50 0 KJAARN COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)CCc1ccccc1 ZINC000035809025 554077455 /nfs/dbraw/zinc/07/74/55/554077455.db2.gz XKFXUQOFSDNXBR-UHFFFAOYSA-N 0 0 536.669 4.674 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(C)cc2)cc1OC ZINC000035809031 554077539 /nfs/dbraw/zinc/07/75/39/554077539.db2.gz GSPHAAUYFCYEEU-SANMLTNESA-N 0 0 534.653 4.806 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(C)cc2)cc1OC ZINC000035809032 554077449 /nfs/dbraw/zinc/07/74/49/554077449.db2.gz GSPHAAUYFCYEEU-AREMUKBSSA-N 0 0 534.653 4.806 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccs2)cc1OC ZINC000035809035 554077441 /nfs/dbraw/zinc/07/74/41/554077441.db2.gz RJFYTSRNDYOROJ-QFIPXVFZSA-N 0 0 526.655 4.559 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccs2)cc1OC ZINC000035809036 554077444 /nfs/dbraw/zinc/07/74/44/554077444.db2.gz RJFYTSRNDYOROJ-JOCHJYFZSA-N 0 0 526.655 4.559 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)cc1OC ZINC000035809039 554077481 /nfs/dbraw/zinc/07/74/81/554077481.db2.gz TVVCTEWSUKTOIP-QHCPKHFHSA-N 0 0 514.663 4.620 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)cc1OC ZINC000035809040 554077710 /nfs/dbraw/zinc/07/77/10/554077710.db2.gz TVVCTEWSUKTOIP-HSZRJFAPSA-N 0 0 514.663 4.620 50 0 KJAARN COc1ccc(NC(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccc(C)o2)C2CC2)cc1 ZINC000035809084 554077695 /nfs/dbraw/zinc/07/76/95/554077695.db2.gz YCBKBOXJWZYSKG-UHFFFAOYSA-N 0 0 521.614 4.882 50 0 KJAARN CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)S(=O)(=O)c1ccccc1 ZINC000035809090 554077728 /nfs/dbraw/zinc/07/77/28/554077728.db2.gz DHCBVIGOUUCPBR-UHFFFAOYSA-N 0 0 528.671 4.668 50 0 KJAARN CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)S(=O)(=O)c1ccccc1 ZINC000035809093 554077722 /nfs/dbraw/zinc/07/77/22/554077722.db2.gz OBAAJRXKLDQGBX-OAQYLSRUSA-N 0 0 528.671 4.666 50 0 KJAARN CC[C@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)S(=O)(=O)c1ccccc1 ZINC000035809094 554077701 /nfs/dbraw/zinc/07/77/01/554077701.db2.gz OBAAJRXKLDQGBX-NRFANRHFSA-N 0 0 528.671 4.666 50 0 KJAARN CC(C)CN(CC(=O)Nc1nc(CC(=O)Nc2ccccc2F)cs1)C(=O)c1ccccc1Cl ZINC000035809205 554077961 /nfs/dbraw/zinc/07/79/61/554077961.db2.gz ICZQSYJCRLJAGS-UHFFFAOYSA-N 0 0 502.999 4.854 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccc(C)cc1 ZINC000035820219 554078675 /nfs/dbraw/zinc/07/86/75/554078675.db2.gz JIEQQTIJZHGLPQ-UHFFFAOYSA-N 0 0 516.569 4.558 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccccc1C ZINC000035820225 554079120 /nfs/dbraw/zinc/07/91/20/554079120.db2.gz RFOOUDXHOOGKLJ-UHFFFAOYSA-N 0 0 516.569 4.558 50 0 KJAARN COc1ccccc1Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000035828946 554079348 /nfs/dbraw/zinc/07/93/48/554079348.db2.gz UNQOXBJOSJQLRJ-UHFFFAOYSA-N 0 0 527.547 4.522 50 0 KJAARN COc1ccccc1Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)Nc1ccc(C(C)C)cc1)CC2 ZINC000035828947 554079299 /nfs/dbraw/zinc/07/92/99/554079299.db2.gz FOQLWJGSTLNFFC-UHFFFAOYSA-N 0 0 501.631 4.626 50 0 KJAARN COCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)Cc1ccccc1 ZINC000035829198 554079311 /nfs/dbraw/zinc/07/93/11/554079311.db2.gz VNUMPKYUIYTKBP-UHFFFAOYSA-N 0 0 530.596 4.569 50 0 KJAARN CCCN(Cc1cccn1Cc1ccc(C(=O)N2CCN(c3ccccc3OCC)CC2)o1)C(=O)C1CC1 ZINC000035829404 554079593 /nfs/dbraw/zinc/07/95/93/554079593.db2.gz DPFKTZKELLSASA-UHFFFAOYSA-N 0 0 518.658 4.639 50 0 KJAARN CCC(C)(C)c1ccc2c(c1)N(Cc1nc(C(=O)N3CCN(c4ccccc4Cl)CC3)co1)C(=O)CO2 ZINC000035829635 554079849 /nfs/dbraw/zinc/07/98/49/554079849.db2.gz YMVXAISCQBERKG-UHFFFAOYSA-N 0 0 523.033 4.904 50 0 KJAARN CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000035830037 554079852 /nfs/dbraw/zinc/07/98/52/554079852.db2.gz HUFNATHZLQQDAQ-QYOOZWMWSA-N 0 0 510.546 4.635 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000035830114 554079853 /nfs/dbraw/zinc/07/98/53/554079853.db2.gz VVNDTHVSNPMBLA-QYOOZWMWSA-N 0 0 513.981 4.811 50 0 KJAARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C(C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000035833151 554079843 /nfs/dbraw/zinc/07/98/43/554079843.db2.gz FHMCZZDWRAVDQE-KIHHCIJBSA-N 0 0 512.587 4.550 50 0 KJAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(OC)c(OC)c3)=NO2)C(=O)Nc2ccccc2OC)c1 ZINC000035836052 554080123 /nfs/dbraw/zinc/08/01/23/554080123.db2.gz KAZRUBWAWDVXLE-QFIPXVFZSA-N 0 0 505.571 4.948 50 0 KJAARN COc1cccc(CN(C[C@H]2CC(c3ccc(OC)c(OC)c3)=NO2)C(=O)Nc2ccccc2OC)c1 ZINC000035836055 554080043 /nfs/dbraw/zinc/08/00/43/554080043.db2.gz KAZRUBWAWDVXLE-JOCHJYFZSA-N 0 0 505.571 4.948 50 0 KJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccc3cccnc32)C1 ZINC000035839840 554080421 /nfs/dbraw/zinc/08/04/21/554080421.db2.gz PXZLLQZTZNMXGL-QFIPXVFZSA-N 0 0 505.571 4.767 50 0 KJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccc3cccnc32)C1 ZINC000035839844 554080426 /nfs/dbraw/zinc/08/04/26/554080426.db2.gz PXZLLQZTZNMXGL-JOCHJYFZSA-N 0 0 505.571 4.767 50 0 KJAARN COCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)CCc1ccccc1 ZINC000035842704 554081256 /nfs/dbraw/zinc/08/12/56/554081256.db2.gz LSTOOJIIQUNZAD-SSEXGKCCSA-N 0 0 501.671 4.825 50 0 KJAARN COCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)CCc1ccccc1 ZINC000035842706 554081711 /nfs/dbraw/zinc/08/17/11/554081711.db2.gz LSTOOJIIQUNZAD-PMERELPUSA-N 0 0 501.671 4.825 50 0 KJAARN O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000035843269 554082026 /nfs/dbraw/zinc/08/20/26/554082026.db2.gz PGKSFOBXHNEJOC-YRIIQKNPSA-N 0 0 503.583 4.999 50 0 KJAARN O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035843270 554082125 /nfs/dbraw/zinc/08/21/25/554082125.db2.gz PGKSFOBXHNEJOC-CPBHOCDRSA-N 0 0 503.583 4.999 50 0 KJAARN O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000035844125 554082454 /nfs/dbraw/zinc/08/24/54/554082454.db2.gz OCIIPZZPFIZDPZ-YRIIQKNPSA-N 0 0 503.583 4.999 50 0 KJAARN O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035844127 554082404 /nfs/dbraw/zinc/08/24/04/554082404.db2.gz OCIIPZZPFIZDPZ-CPBHOCDRSA-N 0 0 503.583 4.999 50 0 KJAARN Cc1ccccc1Cn1c(C(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc2ccsc21 ZINC000035844214 554082347 /nfs/dbraw/zinc/08/23/47/554082347.db2.gz MJIUUSRVWVUTKI-JOCHJYFZSA-N 0 0 501.652 4.949 50 0 KJAARN Cc1ccccc1Cn1c(C(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc2ccsc21 ZINC000035844215 554082445 /nfs/dbraw/zinc/08/24/45/554082445.db2.gz MJIUUSRVWVUTKI-QFIPXVFZSA-N 0 0 501.652 4.949 50 0 KJAARN COc1cccc(Cn2c(C(=O)N3CCN(C(=O)c4cccc(OC)c4)[C@H](C)C3)cc3ccsc32)c1 ZINC000035844283 554082779 /nfs/dbraw/zinc/08/27/79/554082779.db2.gz GZFGXTYDZGGVTN-LJQANCHMSA-N 0 0 503.624 4.755 50 0 KJAARN COc1cccc(Cn2c(C(=O)N3CCN(C(=O)c4cccc(OC)c4)[C@@H](C)C3)cc3ccsc32)c1 ZINC000035844284 554082708 /nfs/dbraw/zinc/08/27/08/554082708.db2.gz GZFGXTYDZGGVTN-IBGZPJMESA-N 0 0 503.624 4.755 50 0 KJAARN COc1ccccc1Cn1c(C(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc2ccsc21 ZINC000035844355 554082775 /nfs/dbraw/zinc/08/27/75/554082775.db2.gz BEZMHLGPVYGSOJ-OAQYLSRUSA-N 0 0 517.651 4.649 50 0 KJAARN COc1ccccc1Cn1c(C(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc2ccsc21 ZINC000035844356 554082787 /nfs/dbraw/zinc/08/27/87/554082787.db2.gz BEZMHLGPVYGSOJ-NRFANRHFSA-N 0 0 517.651 4.649 50 0 KJAARN COc1cccc(Cn2c(C(=O)N3CCN(C(=O)Nc4ccccc4OC)[C@H](C)C3)cc3ccoc32)c1 ZINC000035844373 554082742 /nfs/dbraw/zinc/08/27/42/554082742.db2.gz SQXXFKIGBXDRQB-LJQANCHMSA-N 0 0 502.571 4.678 50 0 KJAARN COc1cccc(Cn2c(C(=O)N3CCN(C(=O)Nc4ccccc4OC)[C@@H](C)C3)cc3ccoc32)c1 ZINC000035844374 554082720 /nfs/dbraw/zinc/08/27/20/554082720.db2.gz SQXXFKIGBXDRQB-IBGZPJMESA-N 0 0 502.571 4.678 50 0 KJAARN COc1ccc(NC(=O)N2CCN(C(=O)c3cc4ccoc4n3Cc3cccc(OC)c3)C[C@H]2C)cc1 ZINC000035844375 554082785 /nfs/dbraw/zinc/08/27/85/554082785.db2.gz YZESWTHGTKTWMT-LJQANCHMSA-N 0 0 502.571 4.678 50 0 KJAARN COc1ccc(NC(=O)N2CCN(C(=O)c3cc4ccoc4n3Cc3cccc(OC)c3)C[C@@H]2C)cc1 ZINC000035844376 554082788 /nfs/dbraw/zinc/08/27/88/554082788.db2.gz YZESWTHGTKTWMT-IBGZPJMESA-N 0 0 502.571 4.678 50 0 KJAARN COc1cccc(Cn2c(C(=O)N3CCN(C(=O)NCc4ccccc4)[C@H](C)C3)cc3ccsc32)c1 ZINC000035844487 554082875 /nfs/dbraw/zinc/08/28/75/554082875.db2.gz IRKPQUWWABYFKE-HXUWFJFHSA-N 0 0 502.640 4.816 50 0 KJAARN COc1cccc(Cn2c(C(=O)N3CCN(C(=O)NCc4ccccc4)[C@@H](C)C3)cc3ccsc32)c1 ZINC000035844488 554082871 /nfs/dbraw/zinc/08/28/71/554082871.db2.gz IRKPQUWWABYFKE-FQEVSTJZSA-N 0 0 502.640 4.816 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccsc4n3Cc3cccc(C)c3)C[C@@H]2C)cc1 ZINC000035844537 554082924 /nfs/dbraw/zinc/08/29/24/554082924.db2.gz VWDRNSXYZKBWOJ-NRFANRHFSA-N 0 0 507.681 4.903 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccsc4n3Cc3cccc(C)c3)C[C@H]2C)cc1 ZINC000035844538 554082887 /nfs/dbraw/zinc/08/28/87/554082887.db2.gz VWDRNSXYZKBWOJ-OAQYLSRUSA-N 0 0 507.681 4.903 50 0 KJAARN Cc1ccccc1Cn1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)[C@H](C)C2)cc2ccsc21 ZINC000035844545 554083242 /nfs/dbraw/zinc/08/32/42/554083242.db2.gz NWWWIFZEJCSDKQ-LJQANCHMSA-N 0 0 511.644 4.734 50 0 KJAARN Cc1ccccc1Cn1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)[C@@H](C)C2)cc2ccsc21 ZINC000035844546 554083367 /nfs/dbraw/zinc/08/33/67/554083367.db2.gz NWWWIFZEJCSDKQ-IBGZPJMESA-N 0 0 511.644 4.734 50 0 KJAARN C[C@@H]1CN(C(=O)c2cc3ccsc3n2Cc2cccc(F)c2)CCN1S(=O)(=O)c1ccc(F)cc1 ZINC000035844551 554083252 /nfs/dbraw/zinc/08/32/52/554083252.db2.gz VFSXXBPWXFVYOD-QGZVFWFLSA-N 0 0 515.607 4.565 50 0 KJAARN C[C@H]1CN(C(=O)c2cc3ccsc3n2Cc2cccc(F)c2)CCN1S(=O)(=O)c1ccc(F)cc1 ZINC000035844552 554083305 /nfs/dbraw/zinc/08/33/05/554083305.db2.gz VFSXXBPWXFVYOD-KRWDZBQOSA-N 0 0 515.607 4.565 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccsc4n3Cc3cccc(F)c3)C[C@@H]2C)cc1 ZINC000035844553 554083186 /nfs/dbraw/zinc/08/31/86/554083186.db2.gz PCPOPPLFWXWJJM-IBGZPJMESA-N 0 0 511.644 4.734 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccsc4n3Cc3cccc(F)c3)C[C@H]2C)cc1 ZINC000035844554 554083173 /nfs/dbraw/zinc/08/31/73/554083173.db2.gz PCPOPPLFWXWJJM-LJQANCHMSA-N 0 0 511.644 4.734 50 0 KJAARN CCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844938 554083291 /nfs/dbraw/zinc/08/32/91/554083291.db2.gz DGUMRIYTISJKLH-UHFFFAOYSA-N 0 0 506.643 4.875 50 0 KJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC(=O)OCc2ccccc2)Cc2ccco2)o1 ZINC000035844972 554083167 /nfs/dbraw/zinc/08/31/67/554083167.db2.gz HARXXKBWGAVUQY-UHFFFAOYSA-N 0 0 500.595 4.998 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000035865111 554083838 /nfs/dbraw/zinc/08/38/38/554083838.db2.gz VKISSSYUFCPRQL-UHFFFAOYSA-N 0 0 512.635 4.852 50 0 KJAARN COc1ccc(CC(=O)N2CCN(c3nc(CCc4ccccc4)nc4sc(C)c(C)c43)CC2)cc1 ZINC000035866759 554084190 /nfs/dbraw/zinc/08/41/90/554084190.db2.gz PMYVCZZRJFHSMX-UHFFFAOYSA-N 0 0 500.668 4.993 50 0 KJAARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)c2c1C ZINC000035866774 554084216 /nfs/dbraw/zinc/08/42/16/554084216.db2.gz JQAKTRRLUPNXOI-UHFFFAOYSA-N 0 0 500.624 4.784 50 0 KJAARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)COCc4ccccc4)CC3)c2c1C ZINC000035866787 554084251 /nfs/dbraw/zinc/08/42/51/554084251.db2.gz VWJGXCLKLSYWFT-UHFFFAOYSA-N 0 0 500.668 4.959 50 0 KJAARN O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000035867850 554084748 /nfs/dbraw/zinc/08/47/48/554084748.db2.gz WKSVUXYXWIWJTP-UHFFFAOYSA-N 0 0 522.671 4.811 50 0 KJAARN O=S(=O)(c1ccccc1)N1CCN(c2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000035867852 554084731 /nfs/dbraw/zinc/08/47/31/554084731.db2.gz ROXNQGXQYPNHNI-UHFFFAOYSA-N 0 0 504.681 4.672 50 0 KJAARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1C ZINC000035867981 554085013 /nfs/dbraw/zinc/08/50/13/554085013.db2.gz LXXXVPFJIJALIU-UHFFFAOYSA-N 0 0 510.660 4.743 50 0 KJAARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2c1C ZINC000035867982 554085122 /nfs/dbraw/zinc/08/51/22/554085122.db2.gz IFSBEBOLUPWLSZ-UHFFFAOYSA-N 0 0 506.697 4.913 50 0 KJAARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2c1C ZINC000035867984 554084966 /nfs/dbraw/zinc/08/49/66/554084966.db2.gz NRMQEAZQLPVYQD-UHFFFAOYSA-N 0 0 506.697 4.745 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCN(c3nc(CCc4ccccc4)nc4sc(C)c(C)c43)CC2)cc1 ZINC000035867985 554084998 /nfs/dbraw/zinc/08/49/98/554084998.db2.gz QUPKKEBWZWUQDY-UHFFFAOYSA-N 0 0 522.696 4.613 50 0 KJAARN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccc(OC)cc5)CC4)c32)C1 ZINC000035868024 554085136 /nfs/dbraw/zinc/08/51/36/554085136.db2.gz DZPYLLWGBSSFAE-UHFFFAOYSA-N 0 0 527.694 4.631 50 0 KJAARN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccc(C)cc5)CC4)c32)C1 ZINC000035868025 554085093 /nfs/dbraw/zinc/08/50/93/554085093.db2.gz KUGBZOIEHAETIR-UHFFFAOYSA-N 0 0 511.695 4.931 50 0 KJAARN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccccc5C)CC4)c32)C1 ZINC000035868029 554084960 /nfs/dbraw/zinc/08/49/60/554084960.db2.gz PCFSAWUPEDIJPX-UHFFFAOYSA-N 0 0 511.695 4.931 50 0 KJAARN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cccc(F)c5)CC4)c32)C1 ZINC000035868031 554085033 /nfs/dbraw/zinc/08/50/33/554085033.db2.gz XGLBLFWRLDOMAC-UHFFFAOYSA-N 0 0 515.658 4.762 50 0 KJAARN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cccc(OC)c5)CC4)c32)C1 ZINC000035868033 554084953 /nfs/dbraw/zinc/08/49/53/554084953.db2.gz LGKLTYAKFDBNNQ-UHFFFAOYSA-N 0 0 527.694 4.631 50 0 KJAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC2)n1)CCN(CC)C3 ZINC000035868038 554084986 /nfs/dbraw/zinc/08/49/86/554084986.db2.gz WIDTZPCJZFUQLS-UHFFFAOYSA-N 0 0 504.487 4.901 50 0 KJAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)c4cccc(C(F)(F)F)c4)CC2)n1)CCN(CC)C3 ZINC000035868039 554085103 /nfs/dbraw/zinc/08/51/03/554085103.db2.gz FKHADJMCDYBXFW-UHFFFAOYSA-N 0 0 503.594 4.613 50 0 KJAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC2)n1)CCN(CC)C3 ZINC000035868042 554085041 /nfs/dbraw/zinc/08/50/41/554085041.db2.gz QHAZIQKEBHLGEI-UHFFFAOYSA-N 0 0 503.594 4.613 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4cc(Cl)ccc4OC)C[C@H]23)cc1 ZINC000035870674 554085354 /nfs/dbraw/zinc/08/53/54/554085354.db2.gz VNCFDCDNWUJVCG-SHQCIBLASA-N 0 0 506.046 4.584 50 0 KJAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4cc(Cl)ccc4OC)C[C@H]23)cc1 ZINC000035870675 554085409 /nfs/dbraw/zinc/08/54/09/554085409.db2.gz VNCFDCDNWUJVCG-RPLLCQBOSA-N 0 0 506.046 4.584 50 0 KJAARN COc1ccccc1CCNC(=O)[C@@H]1Cc2ccccc2N2CCN(c3cc(Cl)ccc3OC)C[C@H]12 ZINC000035870676 554085469 /nfs/dbraw/zinc/08/54/69/554085469.db2.gz ITQOSJAYMIMKBC-ZEQKJWHPSA-N 0 0 506.046 4.584 50 0 KJAARN COc1ccccc1CCNC(=O)[C@H]1Cc2ccccc2N2CCN(c3cc(Cl)ccc3OC)C[C@H]12 ZINC000035870677 554085491 /nfs/dbraw/zinc/08/54/91/554085491.db2.gz ITQOSJAYMIMKBC-JYFHCDHNSA-N 0 0 506.046 4.584 50 0 KJAARN O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 ZINC000035871302 554085820 /nfs/dbraw/zinc/08/58/20/554085820.db2.gz YOIKLTOCRBSFIW-ILBGXUMGSA-N 0 0 514.979 4.980 50 0 KJAARN O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 ZINC000035871303 554085936 /nfs/dbraw/zinc/08/59/36/554085936.db2.gz YOIKLTOCRBSFIW-UKILVPOCSA-N 0 0 514.979 4.980 50 0 KJAARN CC[C@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000035873494 554087663 /nfs/dbraw/zinc/08/76/63/554087663.db2.gz SZZPPHXOFSTSLI-XMMPIXPASA-N 0 0 506.574 4.766 50 0 KJAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000035873496 554087691 /nfs/dbraw/zinc/08/76/91/554087691.db2.gz SZZPPHXOFSTSLI-DEOSSOPVSA-N 0 0 506.574 4.766 50 0 KJAARN CC[C@H]1Oc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000035873531 554087634 /nfs/dbraw/zinc/08/76/34/554087634.db2.gz OFJSKDVAKONAQR-RUZDIDTESA-N 0 0 518.610 4.636 50 0 KJAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000035873533 554087677 /nfs/dbraw/zinc/08/76/77/554087677.db2.gz OFJSKDVAKONAQR-VWLOTQADSA-N 0 0 518.610 4.636 50 0 KJAARN CC[C@H]1Oc2ccc(NC(=O)Cc3cccc(OC)c3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000035873545 554087695 /nfs/dbraw/zinc/08/76/95/554087695.db2.gz BGCCSSGWKJIPHB-RUZDIDTESA-N 0 0 518.610 4.636 50 0 KJAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3cccc(OC)c3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000035873547 554087702 /nfs/dbraw/zinc/08/77/02/554087702.db2.gz BGCCSSGWKJIPHB-VWLOTQADSA-N 0 0 518.610 4.636 50 0 KJAARN COc1cccc(NC(=O)Nc2ccc3c(c2)CN(CCc2ccc(OC)c(OC)c2)C(=O)[C@@H](C)O3)c1 ZINC000035886269 554088498 /nfs/dbraw/zinc/08/84/98/554088498.db2.gz FQFSZCMNWJSLIL-GOSISDBHSA-N 0 0 505.571 4.709 50 0 KJAARN COc1cccc(NC(=O)Nc2ccc3c(c2)CN(CCc2ccc(OC)c(OC)c2)C(=O)[C@H](C)O3)c1 ZINC000035886271 554088562 /nfs/dbraw/zinc/08/85/62/554088562.db2.gz FQFSZCMNWJSLIL-SFHVURJKSA-N 0 0 505.571 4.709 50 0 KJAARN C[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000035886828 554088567 /nfs/dbraw/zinc/08/85/67/554088567.db2.gz XYTQNCGAKLWMPJ-OAHLLOKOSA-N 0 0 508.493 4.955 50 0 KJAARN C[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000035886830 554088541 /nfs/dbraw/zinc/08/85/41/554088541.db2.gz XYTQNCGAKLWMPJ-HNNXBMFYSA-N 0 0 508.493 4.955 50 0 KJAARN COc1ccc(CCN2Cc3cc(NS(=O)(=O)c4cccc(Cl)c4)ccc3O[C@H](C)C2=O)cc1 ZINC000035887060 554088585 /nfs/dbraw/zinc/08/85/85/554088585.db2.gz GJBBKXMMKGBNFH-QGZVFWFLSA-N 0 0 501.004 4.502 50 0 KJAARN COc1ccc(CCN2Cc3cc(NS(=O)(=O)c4cccc(Cl)c4)ccc3O[C@@H](C)C2=O)cc1 ZINC000035887062 554088481 /nfs/dbraw/zinc/08/84/81/554088481.db2.gz GJBBKXMMKGBNFH-KRWDZBQOSA-N 0 0 501.004 4.502 50 0 KJAARN CC[C@H]1Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CN(CCc2ccccc2OC)C1=O ZINC000035887070 554088533 /nfs/dbraw/zinc/08/85/33/554088533.db2.gz KYWUNLNCPQOPSW-HSZRJFAPSA-N 0 0 515.031 4.892 50 0 KJAARN CC[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CN(CCc2ccccc2OC)C1=O ZINC000035887072 554088503 /nfs/dbraw/zinc/08/85/03/554088503.db2.gz KYWUNLNCPQOPSW-QHCPKHFHSA-N 0 0 515.031 4.892 50 0 KJAARN CC[C@H]1Oc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2CN(CCc2ccccc2OC)C1=O ZINC000035887078 554088471 /nfs/dbraw/zinc/08/84/71/554088471.db2.gz WWUUCZKCNBVMEZ-HSZRJFAPSA-N 0 0 515.031 4.892 50 0 KJAARN CC[C@@H]1Oc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2CN(CCc2ccccc2OC)C1=O ZINC000035887080 554088418 /nfs/dbraw/zinc/08/84/18/554088418.db2.gz WWUUCZKCNBVMEZ-QHCPKHFHSA-N 0 0 515.031 4.892 50 0 KJAARN COc1ccccc1CCN1Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@H](C)C1=O ZINC000035887082 554088465 /nfs/dbraw/zinc/08/84/65/554088465.db2.gz LJTMIQXGDBKXJH-QGZVFWFLSA-N 0 0 501.004 4.502 50 0 KJAARN COc1ccccc1CCN1Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)C1=O ZINC000035887084 554088579 /nfs/dbraw/zinc/08/85/79/554088579.db2.gz LJTMIQXGDBKXJH-KRWDZBQOSA-N 0 0 501.004 4.502 50 0 KJAARN COc1ccccc1CCN1Cc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2O[C@H](C)C1=O ZINC000035887097 554088858 /nfs/dbraw/zinc/08/88/58/554088858.db2.gz GGVKKSDRQWHOGB-QGZVFWFLSA-N 0 0 501.004 4.502 50 0 KJAARN COc1ccccc1CCN1Cc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2O[C@@H](C)C1=O ZINC000035887100 554088776 /nfs/dbraw/zinc/08/87/76/554088776.db2.gz GGVKKSDRQWHOGB-KRWDZBQOSA-N 0 0 501.004 4.502 50 0 KJAARN CCN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cc(F)ccc1F)CC2)S(=O)(=O)c1ccccc1 ZINC000035887340 554088875 /nfs/dbraw/zinc/08/88/75/554088875.db2.gz JBHDHRLKZSWVLN-UHFFFAOYSA-N 0 0 522.621 4.920 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc(C)c3Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000035888182 554089283 /nfs/dbraw/zinc/08/92/83/554089283.db2.gz RQKHTYMFMFNNLT-UHFFFAOYSA-N 0 0 504.578 4.522 50 0 KJAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1Cc1ccccc1 ZINC000035890450 554090104 /nfs/dbraw/zinc/09/01/04/554090104.db2.gz CNBTZUBHMZDBCD-UHFFFAOYSA-N 0 0 510.569 4.873 50 0 KJAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000035891150 554090294 /nfs/dbraw/zinc/09/02/94/554090294.db2.gz QONPSPYSNSLBNZ-UHFFFAOYSA-N 0 0 515.477 4.596 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccc(C)c4)nc(C)c3Cc3ccccc3)CC2)cc1 ZINC000035891165 554090337 /nfs/dbraw/zinc/09/03/37/554090337.db2.gz VNWUMGAQWFNKTP-UHFFFAOYSA-N 0 0 528.678 4.871 50 0 KJAARN CCc1c(C)nc(-c2ccc(C)cc2)nc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000035891203 554090411 /nfs/dbraw/zinc/09/04/11/554090411.db2.gz YCUJMXXJRKXTIZ-UHFFFAOYSA-N 0 0 515.477 4.596 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccc(C)cc4)nc(C)c3Cc3ccccc3)CC2)cc1 ZINC000035891230 554090349 /nfs/dbraw/zinc/09/03/49/554090349.db2.gz VIBFHLKZHGMJHL-UHFFFAOYSA-N 0 0 528.678 4.871 50 0 KJAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1Cc1ccccc1 ZINC000035891330 554090671 /nfs/dbraw/zinc/09/06/71/554090671.db2.gz DZLGKVUBGWQOAP-UHFFFAOYSA-N 0 0 520.605 4.832 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4ccccc4Cl)C[C@H]23)cc1OC ZINC000035893825 554091468 /nfs/dbraw/zinc/09/14/68/554091468.db2.gz PPBQKJVSLFSVMW-ATIYNZHBSA-N 0 0 506.046 4.584 50 0 KJAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4ccccc4Cl)C[C@H]23)cc1OC ZINC000035893828 554091386 /nfs/dbraw/zinc/09/13/86/554091386.db2.gz PPBQKJVSLFSVMW-BKMJKUGQSA-N 0 0 506.046 4.584 50 0 KJAARN O=C([C@H]1Cc2ccccc2N2CCN(c3ccccc3)C[C@@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035894023 554091766 /nfs/dbraw/zinc/09/17/66/554091766.db2.gz DQEGEBFBZKSGBN-XCZPVHLTSA-N 0 0 520.599 4.922 50 0 KJAARN O=C(CCc1ccccc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908286 554092886 /nfs/dbraw/zinc/09/28/86/554092886.db2.gz HUCNVJZMHBKNIJ-UHFFFAOYSA-N 0 0 502.622 4.688 50 0 KJAARN O=C(/C=C/c1ccccc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908305 554092939 /nfs/dbraw/zinc/09/29/39/554092939.db2.gz VXTSJLSZTCOTGB-WUKNDPDISA-N 0 0 500.606 4.768 50 0 KJAARN O=C(CSc1ccccc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908306 554092908 /nfs/dbraw/zinc/09/29/08/554092908.db2.gz ISBBDINNFOCXHA-UHFFFAOYSA-N 0 0 520.662 4.847 50 0 KJAARN O=C(Nc1ccccc1F)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908316 554092880 /nfs/dbraw/zinc/09/28/80/554092880.db2.gz BLMWWJIKKOZXPZ-UHFFFAOYSA-N 0 0 507.573 4.900 50 0 KJAARN COc1ccccc1NC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908317 554092935 /nfs/dbraw/zinc/09/29/35/554092935.db2.gz FQJGPZGMMOVGNV-UHFFFAOYSA-N 0 0 519.609 4.769 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000035908586 554093161 /nfs/dbraw/zinc/09/31/61/554093161.db2.gz PYONZSXKIDDIMX-UHFFFAOYSA-N 0 0 519.447 4.801 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000035908589 554093153 /nfs/dbraw/zinc/09/31/53/554093153.db2.gz OQTNFHPLQYPICE-UHFFFAOYSA-N 0 0 519.447 4.801 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000035908610 554093144 /nfs/dbraw/zinc/09/31/44/554093144.db2.gz DVZHMFUQXONWGX-UHFFFAOYSA-N 0 0 519.447 4.801 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)Nc3ccc(OC)cc3OC)CC2)n1 ZINC000035908713 554093526 /nfs/dbraw/zinc/09/35/26/554093526.db2.gz IZYPDMPOVWNGFR-UHFFFAOYSA-N 0 0 529.645 4.838 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000035908728 554093429 /nfs/dbraw/zinc/09/34/29/554093429.db2.gz QYPGVWFUWLRUTB-UHFFFAOYSA-N 0 0 526.666 4.741 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000035908736 554093517 /nfs/dbraw/zinc/09/35/17/554093517.db2.gz NZYJAZUGEZXOHB-UHFFFAOYSA-N 0 0 525.078 4.631 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)n1 ZINC000035908741 554093479 /nfs/dbraw/zinc/09/34/79/554093479.db2.gz MGMWYBSLNLMCOZ-UHFFFAOYSA-N 0 0 532.714 4.903 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 ZINC000035908743 554093501 /nfs/dbraw/zinc/09/35/01/554093501.db2.gz HZZJFGJOEFNHIQ-LTGZKZEYSA-N 0 0 516.671 4.589 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c12 ZINC000035908805 554093402 /nfs/dbraw/zinc/09/34/02/554093402.db2.gz UHOMKQQTNYMERQ-UHFFFAOYSA-N 0 0 506.585 4.816 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3nc(Cc4ccccc4)nc4c3c(C)nn4-c3ccccc3)CC2)cc1 ZINC000035908806 554093457 /nfs/dbraw/zinc/09/34/57/554093457.db2.gz QRPBURAQIROHFA-UHFFFAOYSA-N 0 0 518.621 4.686 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)Cc4ccccc4)CC3)c12 ZINC000035908808 554093530 /nfs/dbraw/zinc/09/35/30/554093530.db2.gz NVUNLGCJZZAEIB-UHFFFAOYSA-N 0 0 502.622 4.606 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4ccc(C)cc4)CC3)c12 ZINC000035908811 554093474 /nfs/dbraw/zinc/09/34/74/554093474.db2.gz XGAVSJYWZJABMS-UHFFFAOYSA-N 0 0 502.622 4.986 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4ccccc4C)CC3)c12 ZINC000035908818 554093394 /nfs/dbraw/zinc/09/33/94/554093394.db2.gz LMEARUTZEYYXPC-UHFFFAOYSA-N 0 0 502.622 4.986 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)Cc4cccs4)CC3)c12 ZINC000035908819 554093464 /nfs/dbraw/zinc/09/34/64/554093464.db2.gz ARBNAEDFMQRFPO-UHFFFAOYSA-N 0 0 508.651 4.668 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)CCc4ccccc4)CC3)c12 ZINC000035908825 554093541 /nfs/dbraw/zinc/09/35/41/554093541.db2.gz OZLRKWSIDLVIQK-UHFFFAOYSA-N 0 0 516.649 4.996 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4ccccc4F)CC3)c12 ZINC000035908828 554093489 /nfs/dbraw/zinc/09/34/89/554093489.db2.gz SNHBIMPSIHNETA-UHFFFAOYSA-N 0 0 506.585 4.816 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4cccc(F)c4)CC3)c12 ZINC000035908829 554093691 /nfs/dbraw/zinc/09/36/91/554093691.db2.gz KSSDLTHIMVRRER-UHFFFAOYSA-N 0 0 506.585 4.816 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)c12 ZINC000035908832 554093671 /nfs/dbraw/zinc/09/36/71/554093671.db2.gz RMTUDNOMGUPPEY-UHFFFAOYSA-N 0 0 520.612 4.745 50 0 KJAARN COc1cccc(C(=O)N2CCN(c3nc(Cc4ccccc4)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000035908836 554093694 /nfs/dbraw/zinc/09/36/94/554093694.db2.gz OXXONBFUKAPRBR-UHFFFAOYSA-N 0 0 518.621 4.686 50 0 KJAARN COc1ccccc1C(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035908842 554093708 /nfs/dbraw/zinc/09/37/08/554093708.db2.gz QBTVUQOAKOOMLT-UHFFFAOYSA-N 0 0 518.621 4.686 50 0 KJAARN COc1ccc([C@@H](CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000035910777 554094573 /nfs/dbraw/zinc/09/45/73/554094573.db2.gz SHRKJBZWXCMWRD-RUZDIDTESA-N 0 0 527.621 4.780 50 0 KJAARN COc1ccc([C@H](CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000035910778 554094471 /nfs/dbraw/zinc/09/44/71/554094471.db2.gz SHRKJBZWXCMWRD-VWLOTQADSA-N 0 0 527.621 4.780 50 0 KJAARN COC(=O)c1ccccc1COc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(OC)cc4)n3)c(C)nc12 ZINC000035911333 554094885 /nfs/dbraw/zinc/09/48/85/554094885.db2.gz GXGZGAVGXPJMAD-UHFFFAOYSA-N 0 0 510.550 4.538 50 0 KJAARN COC(=O)c1ccccc1COc1cccn2c(=O)c(-c3cc(C)n(-c4cc(F)ccc4F)n3)c(C)nc12 ZINC000035911499 554094766 /nfs/dbraw/zinc/09/47/66/554094766.db2.gz HMPYNBMBWFWVEU-UHFFFAOYSA-N 0 0 516.504 4.808 50 0 KJAARN COC(=O)c1ccccc1COc1cccn2c(=O)c(-c3cc(C)n(-c4ccccc4OC)n3)c(C)nc12 ZINC000035911536 554095061 /nfs/dbraw/zinc/09/50/61/554095061.db2.gz HNCMTWVLPDKVMA-UHFFFAOYSA-N 0 0 510.550 4.538 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccccc4)n3c2=O)nn1-c1ccccc1Cl ZINC000035911611 554095085 /nfs/dbraw/zinc/09/50/85/554095085.db2.gz VPDFAILWRWGCSC-UHFFFAOYSA-N 0 0 504.015 4.738 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccc4)n3c2=O)nn1-c1ccccc1Cl ZINC000035911614 554095077 /nfs/dbraw/zinc/09/50/77/554095077.db2.gz VBZWLYXVWZASAG-UHFFFAOYSA-N 0 0 518.042 4.780 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccc(F)cc4)n3c2=O)nn1-c1ccccc1C ZINC000035911650 554095110 /nfs/dbraw/zinc/09/51/10/554095110.db2.gz UDWRFGQMONHHTP-UHFFFAOYSA-N 0 0 501.587 4.532 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCc5ccccc5C4)n3c2=O)nn1-c1ccccc1C ZINC000035911657 554095081 /nfs/dbraw/zinc/09/50/81/554095081.db2.gz MDGFPQYUOMCGDQ-UHFFFAOYSA-N 0 0 509.635 4.661 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@@H](C)c4ccccc4)n3c2=O)nn1-c1ccc(F)cc1 ZINC000035911672 554095057 /nfs/dbraw/zinc/09/50/57/554095057.db2.gz KUQMPAPOTKRFEH-KRWDZBQOSA-N 0 0 501.587 4.785 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@H](C)c4ccccc4)n3c2=O)nn1-c1ccc(F)cc1 ZINC000035911673 554095024 /nfs/dbraw/zinc/09/50/24/554095024.db2.gz KUQMPAPOTKRFEH-QGZVFWFLSA-N 0 0 501.587 4.785 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccccc4)n3c2=O)nn1-c1cccc(Cl)c1 ZINC000035911696 554095029 /nfs/dbraw/zinc/09/50/29/554095029.db2.gz CQMHWCRPJLRONT-UHFFFAOYSA-N 0 0 504.015 4.738 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccc4)n3c2=O)nn1-c1cccc(Cl)c1 ZINC000035911701 554095035 /nfs/dbraw/zinc/09/50/35/554095035.db2.gz DPTNHKJMSRBGPR-UHFFFAOYSA-N 0 0 518.042 4.780 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccc(F)cc4)n3c2=O)nn1-c1ccc(C)cc1C ZINC000035911740 554095422 /nfs/dbraw/zinc/09/54/22/554095422.db2.gz HJHSXWCGFBBTHH-UHFFFAOYSA-N 0 0 515.614 4.840 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCc5ccccc5C4)n3c2=O)nn1-c1ccc(C)cc1C ZINC000035911748 554095360 /nfs/dbraw/zinc/09/53/60/554095360.db2.gz XTGJXEQKOWLKGH-UHFFFAOYSA-N 0 0 523.662 4.970 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCC(C)C)n3c2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035911751 554095342 /nfs/dbraw/zinc/09/53/42/554095342.db2.gz XJRIVCDRQPUAEV-UHFFFAOYSA-N 0 0 504.443 4.847 50 0 KJAARN CC[C@@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c(=O)n12 ZINC000035911753 554095457 /nfs/dbraw/zinc/09/54/57/554095457.db2.gz MPAAZHUWUBEGMP-GFCCVEGCSA-N 0 0 504.443 4.990 50 0 KJAARN CC[C@H](C)NC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c(=O)n12 ZINC000035911754 554095381 /nfs/dbraw/zinc/09/53/81/554095381.db2.gz MPAAZHUWUBEGMP-LBPRGKRZSA-N 0 0 504.443 4.990 50 0 KJAARN CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c(=O)n12 ZINC000035911755 554095386 /nfs/dbraw/zinc/09/53/86/554095386.db2.gz UPFTWGONRPVKSL-UHFFFAOYSA-N 0 0 504.443 4.991 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccc4)n3c2=O)nn1-c1cc(C)ccc1C ZINC000035911775 554095430 /nfs/dbraw/zinc/09/54/30/554095430.db2.gz OJJQGXFYLVWYHQ-UHFFFAOYSA-N 0 0 511.651 4.744 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccc(F)cc4)n3c2=O)nn1-c1cc(C)ccc1C ZINC000035911784 554095407 /nfs/dbraw/zinc/09/54/07/554095407.db2.gz DEJZSRNEEQSGQL-UHFFFAOYSA-N 0 0 515.614 4.840 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCc5ccccc5C4)n3c2=O)nn1-c1cc(C)ccc1C ZINC000035911792 554095356 /nfs/dbraw/zinc/09/53/56/554095356.db2.gz MKBWWDLTYJEXKU-UHFFFAOYSA-N 0 0 523.662 4.970 50 0 KJAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCCc4ccccc4)n3c2=O)cc1C ZINC000035911804 554095351 /nfs/dbraw/zinc/09/53/51/554095351.db2.gz DVSOUUASXCXQFU-UHFFFAOYSA-N 0 0 511.651 4.689 50 0 KJAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCc4ccc(F)cc4)n3c2=O)cc1C ZINC000035911814 554095662 /nfs/dbraw/zinc/09/56/62/554095662.db2.gz DWAHBUJKPOLUCQ-UHFFFAOYSA-N 0 0 515.614 4.786 50 0 KJAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)N4CCc5ccccc5C4)n3c2=O)cc1C ZINC000035911822 554095635 /nfs/dbraw/zinc/09/56/35/554095635.db2.gz ZKNSKZTXYKHMPZ-UHFFFAOYSA-N 0 0 523.662 4.915 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@@H](C)c4ccccc4)n3c2=O)nn1-c1cccc(F)c1 ZINC000035911839 554095679 /nfs/dbraw/zinc/09/56/79/554095679.db2.gz QGJYYBHTFZANCO-KRWDZBQOSA-N 0 0 501.587 4.785 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@H](C)c4ccccc4)n3c2=O)nn1-c1cccc(F)c1 ZINC000035911840 554095665 /nfs/dbraw/zinc/09/56/65/554095665.db2.gz QGJYYBHTFZANCO-QGZVFWFLSA-N 0 0 501.587 4.785 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccn4)n3c2=O)nn1-c1ccc(C(C)C)cc1 ZINC000035911934 554095701 /nfs/dbraw/zinc/09/57/01/554095701.db2.gz PSQBNKJFSVUDPS-UHFFFAOYSA-N 0 0 526.666 4.645 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccccn4)n3c2=O)nn1-c1ccc(C(C)C)cc1 ZINC000035911937 554095631 /nfs/dbraw/zinc/09/56/31/554095631.db2.gz NXRIPKMQYHOLDA-UHFFFAOYSA-N 0 0 512.639 4.603 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4cccnc4)n3c2=O)nn1-c1ccc(C(C)C)cc1 ZINC000035911938 554095637 /nfs/dbraw/zinc/09/56/37/554095637.db2.gz OZGONGPOUBHCRP-UHFFFAOYSA-N 0 0 512.639 4.603 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccncc4)n3c2=O)nn1-c1ccc(C(C)C)cc1 ZINC000035911941 554095630 /nfs/dbraw/zinc/09/56/30/554095630.db2.gz NBTINLYYBAGDRJ-UHFFFAOYSA-N 0 0 512.639 4.603 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@@H](C)c4ccccc4)n3c2=O)nn1-c1cc(F)ccc1F ZINC000035911964 554095629 /nfs/dbraw/zinc/09/56/29/554095629.db2.gz VKZAUWHWZDDCHJ-INIZCTEOSA-N 0 0 519.577 4.924 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@H](C)c4ccccc4)n3c2=O)nn1-c1cc(F)ccc1F ZINC000035911965 554095695 /nfs/dbraw/zinc/09/56/95/554095695.db2.gz VKZAUWHWZDDCHJ-MRXNPFEDSA-N 0 0 519.577 4.924 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccc4)n3c2=O)nn1-c1cccc(C)c1C ZINC000035912013 554095643 /nfs/dbraw/zinc/09/56/43/554095643.db2.gz SRCNVFADYRKNEY-UHFFFAOYSA-N 0 0 511.651 4.744 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccc(F)cc4)n3c2=O)nn1-c1cccc(C)c1C ZINC000035912024 554095919 /nfs/dbraw/zinc/09/59/19/554095919.db2.gz LZDGWNGQKFNIRZ-UHFFFAOYSA-N 0 0 515.614 4.840 50 0 KJAARN COc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)N[C@@H](C)c4ccccc4)n3c2=O)cc1C ZINC000035912042 554096026 /nfs/dbraw/zinc/09/60/26/554096026.db2.gz JEFILGUUQFBHOC-SFHVURJKSA-N 0 0 513.623 4.654 50 0 KJAARN COc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)N[C@H](C)c4ccccc4)n3c2=O)cc1C ZINC000035912043 554096003 /nfs/dbraw/zinc/09/60/03/554096003.db2.gz JEFILGUUQFBHOC-GOSISDBHSA-N 0 0 513.623 4.654 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)c12 ZINC000035912536 554096078 /nfs/dbraw/zinc/09/60/78/554096078.db2.gz HMLNOFJMGOVXCV-UHFFFAOYSA-N 0 0 518.687 4.532 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c12 ZINC000035912539 554096247 /nfs/dbraw/zinc/09/62/47/554096247.db2.gz CXEKBZPIANRVBA-HMMYKYKNSA-N 0 0 530.698 4.835 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 ZINC000035912548 554096250 /nfs/dbraw/zinc/09/62/50/554096250.db2.gz ZZPJHWFADDUHAS-LTGZKZEYSA-N 0 0 516.671 4.589 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000035912552 554096288 /nfs/dbraw/zinc/09/62/88/554096288.db2.gz HFOWCMGHUBLCKI-UHFFFAOYSA-N 0 0 522.650 4.507 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000035912553 554096219 /nfs/dbraw/zinc/09/62/19/554096219.db2.gz MJPINMXYTZZSIV-UHFFFAOYSA-N 0 0 518.687 4.676 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 ZINC000035912555 554096255 /nfs/dbraw/zinc/09/62/55/554096255.db2.gz DTZBBUJZIJJOEU-OQKWZONESA-N 0 0 530.698 4.979 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(C3CCOCC3)nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c12 ZINC000035912598 554096265 /nfs/dbraw/zinc/09/62/65/554096265.db2.gz KLXBAVUWSMQTCY-UHFFFAOYSA-N 0 0 517.033 4.634 50 0 KJAARN COc1cc(OC)cc(C(=O)N2CCCN(c3nc(CC(C)C)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000035912709 554096480 /nfs/dbraw/zinc/09/64/80/554096480.db2.gz GUQYIJPDVKIDFY-UHFFFAOYSA-N 0 0 528.657 4.692 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(C(=O)CSc3ccccc3)CC2)n1 ZINC000035912773 554096569 /nfs/dbraw/zinc/09/65/69/554096569.db2.gz WAGNZVHJLKNXCF-UHFFFAOYSA-N 0 0 500.672 4.907 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)c3cc(OC)cc(OC)c3)CC2)n1 ZINC000035912808 554096484 /nfs/dbraw/zinc/09/64/84/554096484.db2.gz IHORBBPITOPXJW-UHFFFAOYSA-N 0 0 528.657 4.836 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000035912816 554096615 /nfs/dbraw/zinc/09/66/15/554096615.db2.gz GRMWZUUVNLEYIN-UHFFFAOYSA-N 0 0 500.622 4.887 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)COCc3ccccc3)CC2)n1 ZINC000035912824 554096855 /nfs/dbraw/zinc/09/68/55/554096855.db2.gz OSRRFGMYVJOZJG-UHFFFAOYSA-N 0 0 512.658 4.722 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000035912832 554096807 /nfs/dbraw/zinc/09/68/07/554096807.db2.gz SJWCSVUTILETNR-UHFFFAOYSA-N 0 0 502.622 4.986 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(C(=O)Cc4ccccc4)CC3)c12 ZINC000035912834 554096841 /nfs/dbraw/zinc/09/68/41/554096841.db2.gz QKKVYGQLUHMDRN-UHFFFAOYSA-N 0 0 516.649 4.914 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(C(=O)Cc4cccs4)CC3)c12 ZINC000035912844 554096827 /nfs/dbraw/zinc/09/68/27/554096827.db2.gz DVTSZFZLYOXFHD-UHFFFAOYSA-N 0 0 522.678 4.976 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCCN(C(=O)c4ccco4)CC3)c12 ZINC000035912870 554096788 /nfs/dbraw/zinc/09/67/88/554096788.db2.gz BPTNSSVACARXCT-UHFFFAOYSA-N 0 0 506.610 4.969 50 0 KJAARN COC(=O)c1cccc(COc2cccn3c(=O)c(-c4cc(C)n(-c5ccc(OC)cc5)n4)c(C)nc23)c1 ZINC000035924589 554097077 /nfs/dbraw/zinc/09/70/77/554097077.db2.gz BJYCLVVHDDZPGQ-UHFFFAOYSA-N 0 0 510.550 4.538 50 0 KJAARN COc1cccc(C(=O)COc2cccn3c(=O)c(-c4cc(C)n(-c5cc(F)ccc5F)n4)c(C)nc23)c1 ZINC000035924646 554097042 /nfs/dbraw/zinc/09/70/42/554097042.db2.gz MTQZYDUFEPRFHD-UHFFFAOYSA-N 0 0 516.504 4.713 50 0 KJAARN COC(=O)c1cccc(COc2cccn3c(=O)c(-c4cc(C)n(-c5cc(F)ccc5F)n4)c(C)nc23)c1 ZINC000035924647 554097028 /nfs/dbraw/zinc/09/70/28/554097028.db2.gz PKZYLTLTADTQHR-UHFFFAOYSA-N 0 0 516.504 4.808 50 0 KJAARN COC(=O)c1cccc(COc2cccn3c(=O)c(-c4cc(C)n(-c5ccccc5OC)n4)c(C)nc23)c1 ZINC000035924653 554097068 /nfs/dbraw/zinc/09/70/68/554097068.db2.gz VQXIGJSIDKOWAZ-UHFFFAOYSA-N 0 0 510.550 4.538 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(Cc3ccc(OC)cc3OC)CC2)n1 ZINC000035924689 554096997 /nfs/dbraw/zinc/09/69/97/554096997.db2.gz KGZYCBDEZCOLIN-UHFFFAOYSA-N 0 0 500.647 4.806 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(Cc3cccc(OC)c3OC)CC2)n1 ZINC000035924690 554097032 /nfs/dbraw/zinc/09/70/32/554097032.db2.gz QLHDZCBCEMHQQA-UHFFFAOYSA-N 0 0 500.647 4.806 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccccc4)n3c2=O)nn1-c1cc(F)ccc1C ZINC000035924725 554097412 /nfs/dbraw/zinc/09/74/12/554097412.db2.gz PSWUFIQLTQZRLY-UHFFFAOYSA-N 0 0 501.587 4.532 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)Nc4ccc(F)cc4)n3c2=O)nn1-c1cc(F)ccc1C ZINC000035924726 554097353 /nfs/dbraw/zinc/09/73/53/554097353.db2.gz MTNUVABQQSVUGD-UHFFFAOYSA-N 0 0 505.550 4.993 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccc4)n3c2=O)nn1-c1cc(F)ccc1C ZINC000035924731 554097373 /nfs/dbraw/zinc/09/73/73/554097373.db2.gz UJCZMZZSNLLDBD-UHFFFAOYSA-N 0 0 515.614 4.574 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccc(F)cc4)n3c2=O)nn1-c1cc(F)ccc1C ZINC000035924738 554097340 /nfs/dbraw/zinc/09/73/40/554097340.db2.gz CMBSBTBHJJGEBD-UHFFFAOYSA-N 0 0 519.577 4.671 50 0 KJAARN COc1ccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2ccc(F)cc2)cc1 ZINC000035924769 554097392 /nfs/dbraw/zinc/09/73/92/554097392.db2.gz BDRMSFCZXRBRET-UHFFFAOYSA-N 0 0 510.543 4.534 50 0 KJAARN COc1cccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2ccc(F)cc2)c1 ZINC000035924771 554097349 /nfs/dbraw/zinc/09/73/49/554097349.db2.gz PGDPCYZYQWRCQB-UHFFFAOYSA-N 0 0 510.543 4.534 50 0 KJAARN COc1ccc(-n2c(SCC(=O)c3ccc(C)cc3)nc3c(cc(OC)c(OC)c3OC)c2=O)cc1 ZINC000035924784 554097367 /nfs/dbraw/zinc/09/73/67/554097367.db2.gz PCDOJLKIWRGPHU-UHFFFAOYSA-N 0 0 506.580 4.704 50 0 KJAARN COc1ccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2ccccc2F)cc1 ZINC000035924795 554097350 /nfs/dbraw/zinc/09/73/50/554097350.db2.gz ITHVBNXRDUXJSQ-UHFFFAOYSA-N 0 0 510.543 4.534 50 0 KJAARN COc1cccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2ccccc2F)c1 ZINC000035924798 554097390 /nfs/dbraw/zinc/09/73/90/554097390.db2.gz BBFUXMZPTBIHSU-UHFFFAOYSA-N 0 0 510.543 4.534 50 0 KJAARN COc1ccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2cccc(C)c2)cc1 ZINC000035924807 554097414 /nfs/dbraw/zinc/09/74/14/554097414.db2.gz RAQODRWAZRJCQM-UHFFFAOYSA-N 0 0 506.580 4.704 50 0 KJAARN COc1ccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2ccc(C)cc2)cc1 ZINC000035924821 554097328 /nfs/dbraw/zinc/09/73/28/554097328.db2.gz CRYBOSGWJWYDPW-UHFFFAOYSA-N 0 0 506.580 4.704 50 0 KJAARN COc1cc2c(nc(SCC(=O)OCc3ccccc3)n(-c3ccc(C)cc3)c2=O)c(OC)c1OC ZINC000035924831 554097404 /nfs/dbraw/zinc/09/74/04/554097404.db2.gz QDRKGTMIICLJGV-UHFFFAOYSA-N 0 0 506.580 4.555 50 0 KJAARN COc1ccc(C(=O)CSc2nc3c(cc(OC)c(OC)c3OC)c(=O)n2-c2cccc(F)c2)cc1 ZINC000035924842 554097549 /nfs/dbraw/zinc/09/75/49/554097549.db2.gz JFUNRHTUCYMTIM-UHFFFAOYSA-N 0 0 510.543 4.534 50 0 KJAARN COc1cccc(-n2c(SCC(=O)c3ccc(C)cc3)nc3c(cc(OC)c(OC)c3OC)c2=O)c1 ZINC000035924854 554097587 /nfs/dbraw/zinc/09/75/87/554097587.db2.gz ZJEIVFITVUMHEP-UHFFFAOYSA-N 0 0 506.580 4.704 50 0 KJAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000035925470 554097583 /nfs/dbraw/zinc/09/75/83/554097583.db2.gz WJZJIMDERPOTTP-UHFFFAOYSA-N 0 0 519.447 4.739 50 0 KJAARN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000035925484 554097621 /nfs/dbraw/zinc/09/76/21/554097621.db2.gz JJLXUCLSODFULO-UHFFFAOYSA-N 0 0 519.447 4.739 50 0 KJAARN O=C(c1ccc(F)cc1)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925493 554097624 /nfs/dbraw/zinc/09/76/24/554097624.db2.gz DFZQIAOLINTZCN-UHFFFAOYSA-N 0 0 506.585 4.898 50 0 KJAARN COc1ccc(C(=O)N2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925494 554097641 /nfs/dbraw/zinc/09/76/41/554097641.db2.gz ZEMCWVHXZKXKNT-UHFFFAOYSA-N 0 0 518.621 4.767 50 0 KJAARN O=C(Cc1ccccc1)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925495 554097663 /nfs/dbraw/zinc/09/76/63/554097663.db2.gz RDNWHYROBDELQW-UHFFFAOYSA-N 0 0 502.622 4.688 50 0 KJAARN O=C(Cc1cccs1)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925507 554097960 /nfs/dbraw/zinc/09/79/60/554097960.db2.gz VBBFASAFKOTAQB-UHFFFAOYSA-N 0 0 508.651 4.749 50 0 KJAARN O=C(COc1ccccc1)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925509 554097952 /nfs/dbraw/zinc/09/79/52/554097952.db2.gz CAVDBGZFMQLMIQ-UHFFFAOYSA-N 0 0 518.621 4.524 50 0 KJAARN O=C(c1ccccc1F)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925515 554097831 /nfs/dbraw/zinc/09/78/31/554097831.db2.gz MRUYQRMUXFFNMX-UHFFFAOYSA-N 0 0 506.585 4.898 50 0 KJAARN O=C(c1cccc(F)c1)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925516 554097902 /nfs/dbraw/zinc/09/79/02/554097902.db2.gz BDANUVJKQWZDSS-UHFFFAOYSA-N 0 0 506.585 4.898 50 0 KJAARN O=C(Cc1ccc(F)cc1)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925519 554097956 /nfs/dbraw/zinc/09/79/56/554097956.db2.gz QNCDHAXGTOVGCA-UHFFFAOYSA-N 0 0 520.612 4.827 50 0 KJAARN COc1ccccc1C(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925528 554097888 /nfs/dbraw/zinc/09/78/88/554097888.db2.gz YGCZFBGGNLUVNQ-UHFFFAOYSA-N 0 0 518.621 4.767 50 0 KJAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000035925567 554097846 /nfs/dbraw/zinc/09/78/46/554097846.db2.gz CYWXYMQIUZQOGQ-UHFFFAOYSA-N 0 0 519.447 4.883 50 0 KJAARN O=C(NC1CCCCC1)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925638 554097919 /nfs/dbraw/zinc/09/79/19/554097919.db2.gz VFLLIDBAWBTODH-UHFFFAOYSA-N 0 0 509.658 4.961 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@@H](C)c4ccccc4)n3c2=O)nn1-c1ccccc1F ZINC000035925765 554098123 /nfs/dbraw/zinc/09/81/23/554098123.db2.gz ZXAOMDOOZNNVFA-KRWDZBQOSA-N 0 0 501.587 4.785 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N[C@H](C)c4ccccc4)n3c2=O)nn1-c1ccccc1F ZINC000035925766 554098101 /nfs/dbraw/zinc/09/81/01/554098101.db2.gz ZXAOMDOOZNNVFA-QGZVFWFLSA-N 0 0 501.587 4.785 50 0 KJAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)n1 ZINC000035925853 554098084 /nfs/dbraw/zinc/09/80/84/554098084.db2.gz SRGUKMJHYFHCIH-HXUWFJFHSA-N 0 0 514.630 4.699 50 0 KJAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)n1 ZINC000035925854 554098127 /nfs/dbraw/zinc/09/81/27/554098127.db2.gz SRGUKMJHYFHCIH-FQEVSTJZSA-N 0 0 514.630 4.699 50 0 KJAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)COCc3ccccc3)CC2)n1 ZINC000035925961 554098478 /nfs/dbraw/zinc/09/84/78/554098478.db2.gz ZZIXUIDNJAKKCR-HSZRJFAPSA-N 0 0 512.658 4.975 50 0 KJAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(C(=O)COCc3ccccc3)CC2)n1 ZINC000035925962 554098395 /nfs/dbraw/zinc/09/83/95/554098395.db2.gz ZZIXUIDNJAKKCR-QHCPKHFHSA-N 0 0 512.658 4.975 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3nc(C4CCOCC4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925998 554098518 /nfs/dbraw/zinc/09/85/18/554098518.db2.gz OLOMVJYUBMKYIX-UHFFFAOYSA-N 0 0 524.669 4.969 50 0 KJAARN O=C(CCC1CCCC1)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926021 554098507 /nfs/dbraw/zinc/09/85/07/554098507.db2.gz IRBYSZXQOOHGAJ-UHFFFAOYSA-N 0 0 502.663 4.719 50 0 KJAARN CCCC[C@@H](CC)C(=O)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926030 554098473 /nfs/dbraw/zinc/09/84/73/554098473.db2.gz KYPANNRDMILWHJ-JOCHJYFZSA-N 0 0 504.679 4.965 50 0 KJAARN CCCC[C@H](CC)C(=O)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926031 554098513 /nfs/dbraw/zinc/09/85/13/554098513.db2.gz KYPANNRDMILWHJ-QFIPXVFZSA-N 0 0 504.679 4.965 50 0 KJAARN CCc1ccc(C(=O)N2CCCN(c3nc(C4CCOCC4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035926043 554098468 /nfs/dbraw/zinc/09/84/68/554098468.db2.gz ZYRLONFPFTUMMM-UHFFFAOYSA-N 0 0 510.642 4.624 50 0 KJAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000035926053 554098423 /nfs/dbraw/zinc/09/84/23/554098423.db2.gz WESMENSZFHAKSZ-UHFFFAOYSA-N 0 0 506.585 4.816 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3nc(Cc4ccc(C)cc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035926054 554098443 /nfs/dbraw/zinc/09/84/43/554098443.db2.gz HMJCRUCGBGTYBA-UHFFFAOYSA-N 0 0 518.621 4.686 50 0 KJAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCN(C(=O)Cc4ccccc4)CC3)n2)cc1 ZINC000035926056 554098502 /nfs/dbraw/zinc/09/85/02/554098502.db2.gz SXDYBNMEXWJCAD-UHFFFAOYSA-N 0 0 502.622 4.606 50 0 KJAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCN(C(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000035926057 554098492 /nfs/dbraw/zinc/09/84/92/554098492.db2.gz SQKSSXHBRXZSNA-UHFFFAOYSA-N 0 0 502.622 4.986 50 0 KJAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCN(C(=O)c4ccccc4C)CC3)n2)cc1 ZINC000035926066 554098807 /nfs/dbraw/zinc/09/88/07/554098807.db2.gz FTXPMCLLLSYBPH-UHFFFAOYSA-N 0 0 502.622 4.986 50 0 KJAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCN(C(=O)Cc4cccs4)CC3)n2)cc1 ZINC000035926067 554098654 /nfs/dbraw/zinc/09/86/54/554098654.db2.gz JTWPUAQRBGKYTM-UHFFFAOYSA-N 0 0 508.651 4.668 50 0 KJAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCN(C(=O)CCc4ccccc4)CC3)n2)cc1 ZINC000035926072 554098641 /nfs/dbraw/zinc/09/86/41/554098641.db2.gz FHWYTFVVJJNALZ-UHFFFAOYSA-N 0 0 516.649 4.996 50 0 KJAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCN(C(=O)c4ccccc4F)CC3)n2)cc1 ZINC000035926075 554098746 /nfs/dbraw/zinc/09/87/46/554098746.db2.gz KBOOJYVGXMKMOT-UHFFFAOYSA-N 0 0 506.585 4.816 50 0 KJAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000035926112 554098785 /nfs/dbraw/zinc/09/87/85/554098785.db2.gz JLIJFRLTABMJGD-JOCHJYFZSA-N 0 0 518.687 4.929 50 0 KJAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000035926113 554098755 /nfs/dbraw/zinc/09/87/55/554098755.db2.gz JLIJFRLTABMJGD-QFIPXVFZSA-N 0 0 518.687 4.929 50 0 KJAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000035926114 554098694 /nfs/dbraw/zinc/09/86/94/554098694.db2.gz ISMBOUTVNNOGDA-OAQYLSRUSA-N 0 0 504.660 4.620 50 0 KJAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000035926115 554098652 /nfs/dbraw/zinc/09/86/52/554098652.db2.gz ISMBOUTVNNOGDA-NRFANRHFSA-N 0 0 504.660 4.620 50 0 KJAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000035926116 554098813 /nfs/dbraw/zinc/09/88/13/554098813.db2.gz FFHIGGQMWGLLLO-JOCHJYFZSA-N 0 0 518.687 4.761 50 0 KJAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000035926117 554098819 /nfs/dbraw/zinc/09/88/19/554098819.db2.gz FFHIGGQMWGLLLO-QFIPXVFZSA-N 0 0 518.687 4.761 50 0 KJAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCCN(C(=O)Cc4ccccc4)CC3)n2)cc1 ZINC000035927789 554101119 /nfs/dbraw/zinc/10/11/19/554101119.db2.gz VTJYUJUMBPPGJU-UHFFFAOYSA-N 0 0 516.649 4.996 50 0 KJAARN COc1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc3nn(Cc4ccccc4)c(N)c32)c(F)c1 ZINC000035929080 554101475 /nfs/dbraw/zinc/10/14/75/554101475.db2.gz MIKSJVMKAXLZPR-UHFFFAOYSA-N 0 0 509.589 4.598 50 0 KJAARN COc1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc3nn(-c4ccc(F)cc4)c(N)c32)c(F)c1 ZINC000035929111 554101489 /nfs/dbraw/zinc/10/14/89/554101489.db2.gz LZJXJERDVIQLTQ-UHFFFAOYSA-N 0 0 513.552 4.678 50 0 KJAARN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(Cc3ccc(F)cc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929922 554101691 /nfs/dbraw/zinc/10/16/91/554101691.db2.gz JMCJJUHKWWRBNX-UHFFFAOYSA-N 0 0 511.580 4.724 50 0 KJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(c3ccccn3)CC1)nc2-c1ccc(F)cc1 ZINC000035930051 554101779 /nfs/dbraw/zinc/10/17/79/554101779.db2.gz BBEJDACUGZWXPP-UHFFFAOYSA-N 0 0 500.969 4.579 50 0 KJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(N1CCN(Cc3ccc(F)cc3)CC1)nc2-c1ccc(F)cc1 ZINC000035930116 554101763 /nfs/dbraw/zinc/10/17/63/554101763.db2.gz RDRSOKSYMVGHFT-UHFFFAOYSA-N 0 0 515.543 4.804 50 0 KJAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000035939830 554101643 /nfs/dbraw/zinc/10/16/43/554101643.db2.gz MJYQLXNYBJYXHV-MHZLTWQESA-N 0 0 514.670 4.960 50 0 KJAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000035939831 554101749 /nfs/dbraw/zinc/10/17/49/554101749.db2.gz MJYQLXNYBJYXHV-HHHXNRCGSA-N 0 0 514.670 4.960 50 0 KJAARN CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000035941580 554101731 /nfs/dbraw/zinc/10/17/31/554101731.db2.gz JXHASFJFWCAZEA-YCAMKHIRSA-N 0 0 506.480 4.812 50 0 KJAARN 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CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000035945071 554102418 /nfs/dbraw/zinc/10/24/18/554102418.db2.gz DBJJVQDTGPHSAW-QFIPXVFZSA-N 0 0 508.084 4.761 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000035945072 554102431 /nfs/dbraw/zinc/10/24/31/554102431.db2.gz DBJJVQDTGPHSAW-JOCHJYFZSA-N 0 0 508.084 4.761 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1)C(=O)c1ccccc1F ZINC000035945806 554102646 /nfs/dbraw/zinc/10/26/46/554102646.db2.gz LHTMOYFRVXEBLY-SANMLTNESA-N 0 0 523.992 4.954 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1)C(=O)c1ccccc1F ZINC000035945807 554102701 /nfs/dbraw/zinc/10/27/01/554102701.db2.gz LHTMOYFRVXEBLY-AREMUKBSSA-N 0 0 523.992 4.954 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(CN(CC3CC3)C(=O)c3ccc(F)cc3)c2)cc1 ZINC000035946138 554102680 /nfs/dbraw/zinc/10/26/80/554102680.db2.gz CXIHDSVUBPVHGW-UHFFFAOYSA-N 0 0 511.619 4.754 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(CN(CC3CC3)C(=O)c3cccc(C)c3)c2)cc1 ZINC000035946142 554102924 /nfs/dbraw/zinc/10/29/24/554102924.db2.gz GYCSDARMAZKXNX-UHFFFAOYSA-N 0 0 507.656 4.923 50 0 KJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000035946404 554103141 /nfs/dbraw/zinc/10/31/41/554103141.db2.gz IDJSGYRBPJRTCE-UHFFFAOYSA-N 0 0 502.587 4.563 50 0 KJAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000035946405 554103247 /nfs/dbraw/zinc/10/32/47/554103247.db2.gz AXYWIFXIKXKGBN-UHFFFAOYSA-N 0 0 516.614 4.952 50 0 KJAARN CCCS(=O)(=O)Nc1ccc(N(C)C)c(CN([C@@H](C)C(C)C)S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000035946433 554103148 /nfs/dbraw/zinc/10/31/48/554103148.db2.gz BIOCHANDUZSMIF-SFHVURJKSA-N 0 0 516.129 4.793 50 0 KJAARN CCCS(=O)(=O)Nc1ccc(N(C)C)c(CN([C@H](C)C(C)C)S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000035946434 554103239 /nfs/dbraw/zinc/10/32/39/554103239.db2.gz BIOCHANDUZSMIF-GOSISDBHSA-N 0 0 516.129 4.793 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000035946658 554103256 /nfs/dbraw/zinc/10/32/56/554103256.db2.gz UHQSRIFVERMUIA-QHCPKHFHSA-N 0 0 512.031 4.877 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000035946659 554103217 /nfs/dbraw/zinc/10/32/17/554103217.db2.gz UHQSRIFVERMUIA-HSZRJFAPSA-N 0 0 512.031 4.877 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035946787 554103252 /nfs/dbraw/zinc/10/32/52/554103252.db2.gz UQEBDGXDWHNAOF-QFIPXVFZSA-N 0 0 517.479 4.904 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035946788 554103194 /nfs/dbraw/zinc/10/31/94/554103194.db2.gz UQEBDGXDWHNAOF-JOCHJYFZSA-N 0 0 517.479 4.904 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1)C(=O)Nc1ccccc1OC ZINC000035947191 554104069 /nfs/dbraw/zinc/10/40/69/554104069.db2.gz GOTFXMKDHJNYMY-QHCPKHFHSA-N 0 0 506.628 4.923 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1)C(=O)Nc1ccccc1OC ZINC000035947192 554104029 /nfs/dbraw/zinc/10/40/29/554104029.db2.gz GOTFXMKDHJNYMY-HSZRJFAPSA-N 0 0 506.628 4.923 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1)C(=O)Nc1ccccc1OC ZINC000035947233 554104056 /nfs/dbraw/zinc/10/40/56/554104056.db2.gz ZEXJNNKMPQHCOV-QHCPKHFHSA-N 0 0 522.627 4.624 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1)C(=O)Nc1ccccc1OC ZINC000035947234 554104049 /nfs/dbraw/zinc/10/40/49/554104049.db2.gz ZEXJNNKMPQHCOV-HSZRJFAPSA-N 0 0 522.627 4.624 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F)C(=O)Nc1ccccc1OC ZINC000035947260 554103993 /nfs/dbraw/zinc/10/39/93/554103993.db2.gz UVMDSOBCVWQMCW-QFIPXVFZSA-N 0 0 510.591 4.754 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F)C(=O)Nc1ccccc1OC ZINC000035947261 554104088 /nfs/dbraw/zinc/10/40/88/554104088.db2.gz UVMDSOBCVWQMCW-JOCHJYFZSA-N 0 0 510.591 4.754 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)c(CN(Cc3cccc(F)c3)C(=O)C3CC3)c2)cc1 ZINC000035947486 554104440 /nfs/dbraw/zinc/10/44/40/554104440.db2.gz QZIGFLVYCSSGHL-UHFFFAOYSA-N 0 0 511.619 4.640 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1OC)C(=O)CC(C)(C)C ZINC000035947522 554104492 /nfs/dbraw/zinc/10/44/92/554104492.db2.gz PBXZJCDEIATNCN-QHCPKHFHSA-N 0 0 500.039 4.938 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1OC)C(=O)CC(C)(C)C ZINC000035947523 554104448 /nfs/dbraw/zinc/10/44/48/554104448.db2.gz PBXZJCDEIATNCN-HSZRJFAPSA-N 0 0 500.039 4.938 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1OC)C(=O)c1cccc(F)c1 ZINC000035947524 554104489 /nfs/dbraw/zinc/10/44/89/554104489.db2.gz VNVLGNWKXQQSSO-VWLOTQADSA-N 0 0 523.992 4.954 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1OC)C(=O)c1cccc(F)c1 ZINC000035947525 554104411 /nfs/dbraw/zinc/10/44/11/554104411.db2.gz VNVLGNWKXQQSSO-RUZDIDTESA-N 0 0 523.992 4.954 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cc(OC)ccc1OC)C(=O)C1CCCC1 ZINC000035947542 554104397 /nfs/dbraw/zinc/10/43/97/554104397.db2.gz KVEIJCWIQBSLLF-VWLOTQADSA-N 0 0 528.049 4.700 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cc(OC)ccc1OC)C(=O)C1CCCC1 ZINC000035947543 554104461 /nfs/dbraw/zinc/10/44/61/554104461.db2.gz KVEIJCWIQBSLLF-RUZDIDTESA-N 0 0 528.049 4.700 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)CC(C)(C)C ZINC000035947627 554104652 /nfs/dbraw/zinc/10/46/52/554104652.db2.gz LOZHIAXXYOILEZ-VWLOTQADSA-N 0 0 523.674 4.910 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)CC(C)(C)C ZINC000035947628 554104647 /nfs/dbraw/zinc/10/46/47/554104647.db2.gz LOZHIAXXYOILEZ-RUZDIDTESA-N 0 0 523.674 4.910 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)C1CCCC1 ZINC000035947629 554104670 /nfs/dbraw/zinc/10/46/70/554104670.db2.gz IXRPNAAWIICTQM-SANMLTNESA-N 0 0 521.658 4.664 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)C1CCCC1 ZINC000035947630 554104718 /nfs/dbraw/zinc/10/47/18/554104718.db2.gz IXRPNAAWIICTQM-AREMUKBSSA-N 0 0 521.658 4.664 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1OC ZINC000035947637 554104695 /nfs/dbraw/zinc/10/46/95/554104695.db2.gz ZRSILZQVLIYIKH-VWLOTQADSA-N 0 0 503.574 4.910 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1OC ZINC000035947638 554104674 /nfs/dbraw/zinc/10/46/74/554104674.db2.gz ZRSILZQVLIYIKH-RUZDIDTESA-N 0 0 503.574 4.910 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl ZINC000035947871 554105166 /nfs/dbraw/zinc/10/51/66/554105166.db2.gz QJQHUCYSEXRGJH-QHCPKHFHSA-N 0 0 531.122 4.676 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl ZINC000035947872 554105186 /nfs/dbraw/zinc/10/51/86/554105186.db2.gz QJQHUCYSEXRGJH-HSZRJFAPSA-N 0 0 531.122 4.676 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000035947891 554105208 /nfs/dbraw/zinc/10/52/08/554105208.db2.gz DGDNYAFKUDFMKJ-QHCPKHFHSA-N 0 0 531.122 4.676 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035947892 554105201 /nfs/dbraw/zinc/10/52/01/554105201.db2.gz DGDNYAFKUDFMKJ-HSZRJFAPSA-N 0 0 531.122 4.676 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1)C(=O)c1ccccc1F ZINC000035948099 554106031 /nfs/dbraw/zinc/10/60/31/554106031.db2.gz INGSNBUUCINWST-MHZLTWQESA-N 0 0 503.574 4.609 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1)C(=O)c1ccccc1F ZINC000035948100 554105984 /nfs/dbraw/zinc/10/59/84/554105984.db2.gz INGSNBUUCINWST-HHHXNRCGSA-N 0 0 503.574 4.609 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1)C(=O)c1cccc(F)c1 ZINC000035948101 554106037 /nfs/dbraw/zinc/10/60/37/554106037.db2.gz BEQMHHAWRXJILJ-MHZLTWQESA-N 0 0 503.574 4.609 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1)C(=O)c1cccc(F)c1 ZINC000035948102 554105977 /nfs/dbraw/zinc/10/59/77/554105977.db2.gz BEQMHHAWRXJILJ-HHHXNRCGSA-N 0 0 503.574 4.609 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl)C(=O)c1ccc(OC)cc1 ZINC000035948233 554106191 /nfs/dbraw/zinc/10/61/91/554106191.db2.gz DZCMKCKEVIKRSC-QHCPKHFHSA-N 0 0 512.031 4.877 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl)C(=O)c1ccc(OC)cc1 ZINC000035948234 554106192 /nfs/dbraw/zinc/10/61/92/554106192.db2.gz DZCMKCKEVIKRSC-HSZRJFAPSA-N 0 0 512.031 4.877 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1 ZINC000035948295 554106442 /nfs/dbraw/zinc/10/64/42/554106442.db2.gz MLQKSGMAOPSXET-QHCPKHFHSA-N 0 0 512.031 4.877 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1 ZINC000035948296 554106394 /nfs/dbraw/zinc/10/63/94/554106394.db2.gz MLQKSGMAOPSXET-HSZRJFAPSA-N 0 0 512.031 4.877 50 0 KJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035948692 554106674 /nfs/dbraw/zinc/10/66/74/554106674.db2.gz COGCZDAYLPMKCV-IBGZPJMESA-N 0 0 515.513 4.946 50 0 KJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035948693 554106663 /nfs/dbraw/zinc/10/66/63/554106663.db2.gz COGCZDAYLPMKCV-LJQANCHMSA-N 0 0 515.513 4.946 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2)C(=O)CC(C)(C)C ZINC000035948727 554106653 /nfs/dbraw/zinc/10/66/53/554106653.db2.gz LHPANELSLYSMEX-QFIPXVFZSA-N 0 0 514.022 4.658 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)CC(C)(C)C ZINC000035948728 554106641 /nfs/dbraw/zinc/10/66/41/554106641.db2.gz LHPANELSLYSMEX-JOCHJYFZSA-N 0 0 514.022 4.658 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccn1C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035948757 554106656 /nfs/dbraw/zinc/10/66/56/554106656.db2.gz QACQAVONTXXCND-NRFANRHFSA-N 0 0 518.561 4.572 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccn1C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035948758 554106662 /nfs/dbraw/zinc/10/66/62/554106662.db2.gz QACQAVONTXXCND-OAQYLSRUSA-N 0 0 518.561 4.572 50 0 KJAARN COc1ccccc1NC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000035948936 554106672 /nfs/dbraw/zinc/10/66/72/554106672.db2.gz QPMXCPQYDXSQQV-FQEVSTJZSA-N 0 0 508.600 4.616 50 0 KJAARN COc1ccccc1NC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035948937 554106630 /nfs/dbraw/zinc/10/66/30/554106630.db2.gz QPMXCPQYDXSQQV-HXUWFJFHSA-N 0 0 508.600 4.616 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1sccc1C)C(=O)Nc1ccccc1OC ZINC000035948972 554106666 /nfs/dbraw/zinc/10/66/66/554106666.db2.gz UEQKCKPDTANBEK-FQEVSTJZSA-N 0 0 512.657 4.985 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1sccc1C)C(=O)Nc1ccccc1OC ZINC000035948973 554106853 /nfs/dbraw/zinc/10/68/53/554106853.db2.gz UEQKCKPDTANBEK-HXUWFJFHSA-N 0 0 512.657 4.985 50 0 KJAARN COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)Nc2ccccc2OC)c1 ZINC000035949004 554106835 /nfs/dbraw/zinc/10/68/35/554106835.db2.gz VHHTVADSBNFWJQ-NRFANRHFSA-N 0 0 508.600 4.616 50 0 KJAARN COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(=O)Nc2ccccc2OC)c1 ZINC000035949005 554106829 /nfs/dbraw/zinc/10/68/29/554106829.db2.gz VHHTVADSBNFWJQ-OAQYLSRUSA-N 0 0 508.600 4.616 50 0 KJAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)CC(C)(C)C)cc1 ZINC000035949316 554107291 /nfs/dbraw/zinc/10/72/91/554107291.db2.gz XGSQIIDDJYCMKM-LJAQVGFWSA-N 0 0 532.729 4.887 50 0 KJAARN Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)CC(C)(C)C)cc1 ZINC000035949317 554107278 /nfs/dbraw/zinc/10/72/78/554107278.db2.gz XGSQIIDDJYCMKM-GDLZYMKVSA-N 0 0 532.729 4.887 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000035949414 554107565 /nfs/dbraw/zinc/10/75/65/554107565.db2.gz BMHFGXQFIRWBFK-NDEPHWFRSA-N 0 0 537.104 4.595 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000035949415 554107561 /nfs/dbraw/zinc/10/75/61/554107561.db2.gz BMHFGXQFIRWBFK-MUUNZHRXSA-N 0 0 537.104 4.595 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccc(Cl)cc3)C2)cc1C ZINC000035949422 554107511 /nfs/dbraw/zinc/10/75/11/554107511.db2.gz JHINTUWGVKLERU-NDEPHWFRSA-N 0 0 537.104 4.595 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccc(Cl)cc3)C2)cc1C ZINC000035949423 554107509 /nfs/dbraw/zinc/10/75/09/554107509.db2.gz JHINTUWGVKLERU-MUUNZHRXSA-N 0 0 537.104 4.595 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@H](c3ccc(F)cc3)C2)cc1C ZINC000035949440 554107555 /nfs/dbraw/zinc/10/75/55/554107555.db2.gz RGJWZVLJBNSYJJ-NDEPHWFRSA-N 0 0 536.692 4.717 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000035949441 554107527 /nfs/dbraw/zinc/10/75/27/554107527.db2.gz RGJWZVLJBNSYJJ-MUUNZHRXSA-N 0 0 536.692 4.717 50 0 KJAARN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)ccc21 ZINC000035955844 554107920 /nfs/dbraw/zinc/10/79/20/554107920.db2.gz IVGOOOXDPFPUMT-UHFFFAOYSA-N 0 0 518.683 4.883 50 0 KJAARN O=C(c1nn2c(c1Br)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCN(Cc2ccccc2)CC1 ZINC000035955855 554107878 /nfs/dbraw/zinc/10/78/78/554107878.db2.gz DUIMXRXLLRFQOZ-FUHWJXTLSA-N 0 0 538.368 4.857 50 0 KJAARN O=C([C@@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000035958702 554108095 /nfs/dbraw/zinc/10/80/95/554108095.db2.gz ZHJKKJFZCXMXKG-DYIKCSJPSA-N 0 0 535.688 4.707 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1)C(=O)CC(C)(C)C ZINC000035960363 554108120 /nfs/dbraw/zinc/10/81/20/554108120.db2.gz XSIQYTPYFQYIQG-VWLOTQADSA-N 0 0 509.647 4.601 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1)C(=O)CC(C)(C)C ZINC000035960364 554108043 /nfs/dbraw/zinc/10/80/43/554108043.db2.gz XSIQYTPYFQYIQG-RUZDIDTESA-N 0 0 509.647 4.601 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C(=O)c2ccccc2Cl)cc1 ZINC000035960960 554108848 /nfs/dbraw/zinc/10/88/48/554108848.db2.gz AGNNELNHFJPDIQ-VWLOTQADSA-N 0 0 522.001 4.816 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C(=O)c2ccccc2Cl)cc1 ZINC000035960961 554108773 /nfs/dbraw/zinc/10/87/73/554108773.db2.gz AGNNELNHFJPDIQ-RUZDIDTESA-N 0 0 522.001 4.816 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1)C(=O)Nc1ccccc1OC ZINC000035961759 554110235 /nfs/dbraw/zinc/11/02/35/554110235.db2.gz BVNLLOHYWWVHNC-QFIPXVFZSA-N 0 0 510.591 4.754 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1)C(=O)Nc1ccccc1OC ZINC000035961760 554110195 /nfs/dbraw/zinc/11/01/95/554110195.db2.gz BVNLLOHYWWVHNC-JOCHJYFZSA-N 0 0 510.591 4.754 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1)C(=O)c1ccccc1F ZINC000035961915 554110412 /nfs/dbraw/zinc/11/04/12/554110412.db2.gz GWUTUDDZSDXELA-MHZLTWQESA-N 0 0 503.574 4.609 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1)C(=O)c1ccccc1F ZINC000035961916 554110391 /nfs/dbraw/zinc/11/03/91/554110391.db2.gz GWUTUDDZSDXELA-HHHXNRCGSA-N 0 0 503.574 4.609 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1)C(=O)c1cccc(F)c1 ZINC000035961917 554110423 /nfs/dbraw/zinc/11/04/23/554110423.db2.gz LGZIUNABMYMFRL-MHZLTWQESA-N 0 0 503.574 4.609 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1)C(=O)c1cccc(F)c1 ZINC000035961918 554110417 /nfs/dbraw/zinc/11/04/17/554110417.db2.gz LGZIUNABMYMFRL-HHHXNRCGSA-N 0 0 503.574 4.609 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(=O)c1cccs1 ZINC000035962051 554110692 /nfs/dbraw/zinc/11/06/92/554110692.db2.gz NCTGKUHJSQNCOO-QHCPKHFHSA-N 0 0 512.031 4.877 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(=O)c1cccs1 ZINC000035962052 554110860 /nfs/dbraw/zinc/11/08/60/554110860.db2.gz NCTGKUHJSQNCOO-HSZRJFAPSA-N 0 0 512.031 4.877 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(=O)CC(C)(C)C ZINC000035962057 554110845 /nfs/dbraw/zinc/11/08/45/554110845.db2.gz IWOAYQLFWYFOHE-DEOSSOPVSA-N 0 0 500.039 4.938 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(=O)CC(C)(C)C ZINC000035962058 554110842 /nfs/dbraw/zinc/11/08/42/554110842.db2.gz IWOAYQLFWYFOHE-XMMPIXPASA-N 0 0 500.039 4.938 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(=O)c1ccccc1F ZINC000035962059 554110849 /nfs/dbraw/zinc/11/08/49/554110849.db2.gz WFUGSULJBITGEA-SANMLTNESA-N 0 0 523.992 4.954 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(=O)c1ccccc1F ZINC000035962060 554110882 /nfs/dbraw/zinc/11/08/82/554110882.db2.gz WFUGSULJBITGEA-AREMUKBSSA-N 0 0 523.992 4.954 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(=O)c1cccc(F)c1 ZINC000035962061 554110881 /nfs/dbraw/zinc/11/08/81/554110881.db2.gz IUECRPHAAGPCQP-SANMLTNESA-N 0 0 523.992 4.954 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(=O)c1cccc(F)c1 ZINC000035962062 554110878 /nfs/dbraw/zinc/11/08/78/554110878.db2.gz IUECRPHAAGPCQP-AREMUKBSSA-N 0 0 523.992 4.954 50 0 KJAARN COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)Nc2ccccc2OC)cc1 ZINC000035963134 554111274 /nfs/dbraw/zinc/11/12/74/554111274.db2.gz AVUWRTXUKYCSJZ-VWLOTQADSA-N 0 0 502.571 4.554 50 0 KJAARN COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(C)C(=O)Nc2ccccc2OC)cc1 ZINC000035963136 554111264 /nfs/dbraw/zinc/11/12/64/554111264.db2.gz AVUWRTXUKYCSJZ-RUZDIDTESA-N 0 0 502.571 4.554 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1)C(=O)Nc1ccccc1OC ZINC000035963414 554111553 /nfs/dbraw/zinc/11/15/53/554111553.db2.gz SHJNRTXVUXDOFZ-SANMLTNESA-N 0 0 516.598 4.562 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1)C(=O)Nc1ccccc1OC ZINC000035963416 554111486 /nfs/dbraw/zinc/11/14/86/554111486.db2.gz SHJNRTXVUXDOFZ-AREMUKBSSA-N 0 0 516.598 4.562 50 0 KJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000035965488 554112464 /nfs/dbraw/zinc/11/24/64/554112464.db2.gz CRMVRAFDALAWMX-UHFFFAOYSA-N 0 0 507.612 4.725 50 0 KJAARN CCN1C2=C(C(=O)N(CCC(=O)Nc3ccc(F)cc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035967178 554112915 /nfs/dbraw/zinc/11/29/15/554112915.db2.gz RUIKYLJJJHXXBF-MHZLTWQESA-N 0 0 514.557 4.829 50 0 KJAARN CCN1C2=C(C(=O)N(CCC(=O)Nc3ccc(F)cc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035967180 554112945 /nfs/dbraw/zinc/11/29/45/554112945.db2.gz RUIKYLJJJHXXBF-HHHXNRCGSA-N 0 0 514.557 4.829 50 0 KJAARN CN1C2=C(C(=O)N([C@H](C(=O)N3CCCC3)c3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035968426 554113124 /nfs/dbraw/zinc/11/31/24/554113124.db2.gz FCAPGOIDRMZGTC-NSOVKSMOSA-N 0 0 522.605 4.635 50 0 KJAARN CN1C2=C(C(=O)N([C@H](C(=O)N3CCCC3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035968429 554113142 /nfs/dbraw/zinc/11/31/42/554113142.db2.gz FCAPGOIDRMZGTC-IZLXSDGUSA-N 0 0 522.605 4.635 50 0 KJAARN CN1C2=C(C(=O)N([C@@H](C(=O)N3CCCC3)c3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035968433 554113153 /nfs/dbraw/zinc/11/31/53/554113153.db2.gz FCAPGOIDRMZGTC-WUFINQPMSA-N 0 0 522.605 4.635 50 0 KJAARN CN1C2=C(C(=O)N([C@@H](C(=O)N3CCCC3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035968436 554113139 /nfs/dbraw/zinc/11/31/39/554113139.db2.gz FCAPGOIDRMZGTC-VSGBNLITSA-N 0 0 522.605 4.635 50 0 KJAARN O=C(c1ccc(Cl)cc1)N(CCN1CCOCC1)Cc1nccn1Cc1ccc(Cl)cc1Cl ZINC000035979588 554116875 /nfs/dbraw/zinc/11/68/75/554116875.db2.gz KMAQBVPYWRNRIZ-UHFFFAOYSA-N 0 0 507.849 4.866 50 0 KJAARN CCCOc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1OCC ZINC000035980672 554117609 /nfs/dbraw/zinc/11/76/09/554117609.db2.gz XDZTUBPFICBOGE-DXIQSLLYSA-N 0 0 500.901 4.631 50 0 KJAARN O=C(c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(C(=O)N2CCN(Cc3ccccc3)CC2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000035982606 554118750 /nfs/dbraw/zinc/11/87/50/554118750.db2.gz HKTMNRTVCHWPDR-UHFFFAOYSA-N 0 0 684.885 4.561 50 0 KJAARN Cc1c2c(cc(=O)n1CCCN1CCOCC1)n(CC(=O)Nc1ccc(Cl)c(Cl)c1)n(-c1nc3ccccc3s1)c2=O ZINC000035982608 554118709 /nfs/dbraw/zinc/11/87/09/554118709.db2.gz VNHDQULKAQJUQY-UHFFFAOYSA-N 0 0 627.554 4.540 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N[C@@H](C)c2ccccc2)N3C(=O)c2ccccc2)cc1 ZINC000035986923 554119941 /nfs/dbraw/zinc/11/99/41/554119941.db2.gz XAZKBJQCFCLWBJ-FIPFOOKPSA-N 0 0 525.649 4.600 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N[C@@H](C)c2ccccc2)N3C(=O)c2ccccc2)cc1 ZINC000035986924 554119944 /nfs/dbraw/zinc/11/99/44/554119944.db2.gz XAZKBJQCFCLWBJ-NEKDWFFYSA-N 0 0 525.649 4.600 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N[C@H](C)c2ccccc2)N3C(=O)c2ccccc2)cc1 ZINC000035986925 554119893 /nfs/dbraw/zinc/11/98/93/554119893.db2.gz XAZKBJQCFCLWBJ-LXFBAYGMSA-N 0 0 525.649 4.600 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N[C@H](C)c2ccccc2)N3C(=O)c2ccccc2)cc1 ZINC000035986926 554119911 /nfs/dbraw/zinc/11/99/11/554119911.db2.gz XAZKBJQCFCLWBJ-QDPGVEIFSA-N 0 0 525.649 4.600 50 0 KJAARN Cc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N[C@@H](C)c2ccccc2)N3C(=O)c2ccccc2C)cc1 ZINC000035987401 554121027 /nfs/dbraw/zinc/12/10/27/554121027.db2.gz OURYEOMRGCYKRG-CUBQBAPOSA-N 0 0 525.649 4.654 50 0 KJAARN Cc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N[C@@H](C)c2ccccc2)N3C(=O)c2ccccc2C)cc1 ZINC000035987402 554120998 /nfs/dbraw/zinc/12/09/98/554120998.db2.gz OURYEOMRGCYKRG-RBJSKKJNSA-N 0 0 525.649 4.654 50 0 KJAARN Cc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N[C@H](C)c2ccccc2)N3C(=O)c2ccccc2C)cc1 ZINC000035987403 554121061 /nfs/dbraw/zinc/12/10/61/554121061.db2.gz OURYEOMRGCYKRG-YWEHKCAJSA-N 0 0 525.649 4.654 50 0 KJAARN Cc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N[C@H](C)c2ccccc2)N3C(=O)c2ccccc2C)cc1 ZINC000035987404 554121045 /nfs/dbraw/zinc/12/10/45/554121045.db2.gz OURYEOMRGCYKRG-UFHPHHKVSA-N 0 0 525.649 4.654 50 0 KJAARN Cc1ccc(C(=O)N2[C@H](C(=O)N[C@@H](C)c3ccccc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000035987520 554121345 /nfs/dbraw/zinc/12/13/45/554121345.db2.gz FHPHGZKNRQCYTP-CUBQBAPOSA-N 0 0 525.649 4.654 50 0 KJAARN Cc1ccc(C(=O)N2[C@@H](C(=O)N[C@@H](C)c3ccccc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000035987521 554121297 /nfs/dbraw/zinc/12/12/97/554121297.db2.gz FHPHGZKNRQCYTP-RBJSKKJNSA-N 0 0 525.649 4.654 50 0 KJAARN Cc1ccc(C(=O)N2[C@H](C(=O)N[C@H](C)c3ccccc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000035987522 554121320 /nfs/dbraw/zinc/12/13/20/554121320.db2.gz FHPHGZKNRQCYTP-YWEHKCAJSA-N 0 0 525.649 4.654 50 0 KJAARN Cc1ccc(C(=O)N2[C@@H](C(=O)N[C@H](C)c3ccccc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000035987523 554121372 /nfs/dbraw/zinc/12/13/72/554121372.db2.gz FHPHGZKNRQCYTP-UFHPHHKVSA-N 0 0 525.649 4.654 50 0 KJAARN COc1ccccc1N1CCN(c2nc(-c3cccc(C)c3)ncc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000035988792 554122484 /nfs/dbraw/zinc/12/24/84/554122484.db2.gz BQQZOIOQDXZEOX-UHFFFAOYSA-N 0 0 511.601 4.856 50 0 KJAARN COCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000035990343 554123685 /nfs/dbraw/zinc/12/36/85/554123685.db2.gz PNZDWIKQIGDAKF-UHFFFAOYSA-N 0 0 511.413 4.540 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991238 554124127 /nfs/dbraw/zinc/12/41/27/554124127.db2.gz ZFEFBZJUSVWJTE-MHZLTWQESA-N 0 0 508.638 4.675 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991239 554124031 /nfs/dbraw/zinc/12/40/31/554124031.db2.gz ZFEFBZJUSVWJTE-HHHXNRCGSA-N 0 0 508.638 4.675 50 0 KJAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991578 554124113 /nfs/dbraw/zinc/12/41/13/554124113.db2.gz XJZTYOYKFNUTMR-MHZLTWQESA-N 0 0 535.641 4.657 50 0 KJAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991579 554124184 /nfs/dbraw/zinc/12/41/84/554124184.db2.gz XJZTYOYKFNUTMR-HHHXNRCGSA-N 0 0 535.641 4.657 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035992012 554124827 /nfs/dbraw/zinc/12/48/27/554124827.db2.gz GHVHFKUEYVTBAU-UHFFFAOYSA-N 0 0 514.601 4.585 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992019 554124789 /nfs/dbraw/zinc/12/47/89/554124789.db2.gz PMPPHUPFSWWKDL-DEOSSOPVSA-N 0 0 514.626 4.610 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992020 554124773 /nfs/dbraw/zinc/12/47/73/554124773.db2.gz PMPPHUPFSWWKDL-XMMPIXPASA-N 0 0 514.626 4.610 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C3CCC3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992023 554124757 /nfs/dbraw/zinc/12/47/57/554124757.db2.gz SFIRCMNHTXKRDF-VWLOTQADSA-N 0 0 502.659 4.504 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C3CCC3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992024 554124824 /nfs/dbraw/zinc/12/48/24/554124824.db2.gz SFIRCMNHTXKRDF-RUZDIDTESA-N 0 0 502.659 4.504 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)CC(C)C)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992027 554124806 /nfs/dbraw/zinc/12/48/06/554124806.db2.gz RHDKJYGXAMWVSW-VWLOTQADSA-N 0 0 504.675 4.750 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)CC(C)C)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992028 554124800 /nfs/dbraw/zinc/12/48/00/554124800.db2.gz RHDKJYGXAMWVSW-RUZDIDTESA-N 0 0 504.675 4.750 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992035 554124767 /nfs/dbraw/zinc/12/47/67/554124767.db2.gz VQOJCSNYIRQTQC-SANMLTNESA-N 0 0 516.686 4.894 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000035992036 554124819 /nfs/dbraw/zinc/12/48/19/554124819.db2.gz VQOJCSNYIRQTQC-AREMUKBSSA-N 0 0 516.686 4.894 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)C1CCCC1 ZINC000035992534 554125813 /nfs/dbraw/zinc/12/58/13/554125813.db2.gz KRJQJZQXEUIMMC-UHFFFAOYSA-N 0 0 507.610 4.545 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992537 554125892 /nfs/dbraw/zinc/12/58/92/554125892.db2.gz CJBKFTULWZQRTK-UHFFFAOYSA-N 0 0 514.601 4.585 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992541 554125836 /nfs/dbraw/zinc/12/58/36/554125836.db2.gz SHJKPELYUNVOGH-UHFFFAOYSA-N 0 0 502.640 4.507 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035992545 554125862 /nfs/dbraw/zinc/12/58/62/554125862.db2.gz HFSHHXLGYFTPCV-UHFFFAOYSA-N 0 0 510.638 4.754 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992547 554125810 /nfs/dbraw/zinc/12/58/10/554125810.db2.gz UCPDBUKQFZIOJF-UHFFFAOYSA-N 0 0 514.601 4.585 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C(=O)N2CCCC2)c1 ZINC000035992554 554125846 /nfs/dbraw/zinc/12/58/46/554125846.db2.gz REGPDOWXVBUSON-UHFFFAOYSA-N 0 0 531.579 4.890 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992555 554125850 /nfs/dbraw/zinc/12/58/50/554125850.db2.gz XVXYNRPCDNKGFT-UHFFFAOYSA-N 0 0 529.616 4.977 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992558 554125833 /nfs/dbraw/zinc/12/58/33/554125833.db2.gz XGIFZOGTNKBHBM-UHFFFAOYSA-N 0 0 517.655 4.899 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992560 554125879 /nfs/dbraw/zinc/12/58/79/554125879.db2.gz JUXSDPTZNDHREV-UHFFFAOYSA-N 0 0 511.626 4.837 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992562 554125872 /nfs/dbraw/zinc/12/58/72/554125872.db2.gz HPNCZWBGDIMGFC-UHFFFAOYSA-N 0 0 529.616 4.977 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)C4CCCC4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035992563 554125839 /nfs/dbraw/zinc/12/58/39/554125839.db2.gz BULLFIDVNWDMFQ-UHFFFAOYSA-N 0 0 503.647 4.714 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cc3C(=O)N3CCCC3)CC2)c1 ZINC000035992566 554125844 /nfs/dbraw/zinc/12/58/44/554125844.db2.gz FUYJTLBSHQTRHC-UHFFFAOYSA-N 0 0 517.655 4.899 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)N3CCCC3)CC2)c1 ZINC000035992569 554125864 /nfs/dbraw/zinc/12/58/64/554125864.db2.gz DVXZBEPUOIBLHN-UHFFFAOYSA-N 0 0 511.626 4.837 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N3CCCC3)CC2)c1 ZINC000035992571 554125853 /nfs/dbraw/zinc/12/58/53/554125853.db2.gz UPPGNMYIZBGLCE-UHFFFAOYSA-N 0 0 529.616 4.977 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)C4CCCC4)cc3C(=O)N3CCCC3)CC2)c1 ZINC000035992572 554125822 /nfs/dbraw/zinc/12/58/22/554125822.db2.gz XTGDOLVFCDQCKJ-UHFFFAOYSA-N 0 0 503.647 4.714 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035993076 554126386 /nfs/dbraw/zinc/12/63/86/554126386.db2.gz VULHMARGKXGPPF-UHFFFAOYSA-N 0 0 514.601 4.585 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCC2)c1)c1ccccc1Cl ZINC000035993085 554126392 /nfs/dbraw/zinc/12/63/92/554126392.db2.gz TUZCFECGBKQMIQ-UHFFFAOYSA-N 0 0 509.050 4.667 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000035993094 554126648 /nfs/dbraw/zinc/12/66/48/554126648.db2.gz CNHJNESDFGDOFI-UHFFFAOYSA-N 0 0 509.050 4.667 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C(=O)N2CCCC2)c1)C1CCCC1 ZINC000035993102 554126620 /nfs/dbraw/zinc/12/66/20/554126620.db2.gz IEJUZKYLVKASKB-UHFFFAOYSA-N 0 0 509.050 4.667 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)c(C(=O)N2CCCC2)c1)c1cccs1 ZINC000035993103 554126671 /nfs/dbraw/zinc/12/66/71/554126671.db2.gz OLMQDHNATIMEDQ-UHFFFAOYSA-N 0 0 503.628 4.591 50 0 KJAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035993104 554126687 /nfs/dbraw/zinc/12/66/87/554126687.db2.gz VAQUIOWMQAUHEH-UHFFFAOYSA-N 0 0 527.625 4.538 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4)CC3)c(C(=O)N3CCCC3)c2)c1 ZINC000035993108 554126678 /nfs/dbraw/zinc/12/66/78/554126678.db2.gz VURHBWSPKMBLEN-UHFFFAOYSA-N 0 0 527.625 4.538 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C(=O)N2CCCC2)c1 ZINC000035993489 554126978 /nfs/dbraw/zinc/12/69/78/554126978.db2.gz IAOYREDPUDSIDZ-UHFFFAOYSA-N 0 0 512.054 4.915 50 0 KJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)c1ccc(F)cc1 ZINC000035993493 554127003 /nfs/dbraw/zinc/12/70/03/554127003.db2.gz SPQHLQVBKULPQH-UHFFFAOYSA-N 0 0 504.581 4.775 50 0 KJAARN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035993497 554127250 /nfs/dbraw/zinc/12/72/50/554127250.db2.gz JJSUHQKWSZYGMM-UHFFFAOYSA-N 0 0 516.617 4.645 50 0 KJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)c1ccccc1F ZINC000035993501 554127339 /nfs/dbraw/zinc/12/73/39/554127339.db2.gz RDMYLBDRKCGHTE-UHFFFAOYSA-N 0 0 504.581 4.775 50 0 KJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)c1cccc(F)c1 ZINC000035993502 554127359 /nfs/dbraw/zinc/12/73/59/554127359.db2.gz MHRQBVVHDBJWCQ-UHFFFAOYSA-N 0 0 504.581 4.775 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)N3CCCC3)c2)c1 ZINC000035993504 554127382 /nfs/dbraw/zinc/12/73/82/554127382.db2.gz FUODYPQOGSOZLM-UHFFFAOYSA-N 0 0 516.617 4.645 50 0 KJAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000035999792 554127305 /nfs/dbraw/zinc/12/73/05/554127305.db2.gz IYOZOWCADJZVQX-DEOSSOPVSA-N 0 0 543.414 4.579 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccc3c(c2)OCO3)c(C)n1CC ZINC000036000311 554127810 /nfs/dbraw/zinc/12/78/10/554127810.db2.gz ZEWPXJCRWJZCPG-UHFFFAOYSA-N 0 0 508.546 4.695 50 0 KJAARN O=C(CCN(Cc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCCN1CCOCC1 ZINC000036000637 554127841 /nfs/dbraw/zinc/12/78/41/554127841.db2.gz CFLZBVQSLUUPHU-UHFFFAOYSA-N 0 0 530.072 4.795 50 0 KJAARN CCN1CCN(C(=O)CCN(c2nc(-c3cccc(Br)c3)nc3ccccc32)C2CC2)CC1 ZINC000036000664 554127805 /nfs/dbraw/zinc/12/78/05/554127805.db2.gz VOOJPPSLOJIHLF-UHFFFAOYSA-N 0 0 508.464 4.582 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000036001068 554128146 /nfs/dbraw/zinc/12/81/46/554128146.db2.gz PSLPUHYFLMSSNU-UHFFFAOYSA-N 0 0 532.616 4.531 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036001117 554128197 /nfs/dbraw/zinc/12/81/97/554128197.db2.gz HGQQYJZSMWPQBN-UHFFFAOYSA-N 0 0 520.580 4.662 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036001119 554128158 /nfs/dbraw/zinc/12/81/58/554128158.db2.gz KTKDCZKQZSEMSE-UHFFFAOYSA-N 0 0 520.580 4.662 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000036001129 554128211 /nfs/dbraw/zinc/12/82/11/554128211.db2.gz GBPYCMBLFJAGJP-UHFFFAOYSA-N 0 0 511.066 4.913 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000036001134 554128200 /nfs/dbraw/zinc/12/82/00/554128200.db2.gz ZBVSCCSPMJVEOM-DEOSSOPVSA-N 0 0 516.642 4.856 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000036001135 554128175 /nfs/dbraw/zinc/12/81/75/554128175.db2.gz ZBVSCCSPMJVEOM-XMMPIXPASA-N 0 0 516.642 4.856 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C3CCC3)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000036001140 554128137 /nfs/dbraw/zinc/12/81/37/554128137.db2.gz ORVLMKJPNYWYIM-VWLOTQADSA-N 0 0 504.675 4.750 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C3CCC3)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000036001141 554128228 /nfs/dbraw/zinc/12/82/28/554128228.db2.gz ORVLMKJPNYWYIM-RUZDIDTESA-N 0 0 504.675 4.750 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000036001152 554128165 /nfs/dbraw/zinc/12/81/65/554128165.db2.gz NJYOZHQVKDRYOB-UHFFFAOYSA-N 0 0 522.605 4.767 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000036001153 554128129 /nfs/dbraw/zinc/12/81/29/554128129.db2.gz SWDWIEUUFNXWBE-UHFFFAOYSA-N 0 0 514.626 4.643 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C(C)C)cc3C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000036001154 554128187 /nfs/dbraw/zinc/12/81/87/554128187.db2.gz FNJZAKAWFOXZTC-UHFFFAOYSA-N 0 0 528.653 4.524 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)N(C)Cc2ccccc2)CC1 ZINC000036001158 554128340 /nfs/dbraw/zinc/12/83/40/554128340.db2.gz VFIBAOXQYOWSTD-UHFFFAOYSA-N 0 0 518.683 4.967 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)N(C)Cc2ccccc2)CC1 ZINC000036001162 554128357 /nfs/dbraw/zinc/12/83/57/554128357.db2.gz VBIOAGJZUHFVME-UHFFFAOYSA-N 0 0 504.675 4.782 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C(C)C)cc3C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000036001163 554128431 /nfs/dbraw/zinc/12/84/31/554128431.db2.gz LXISKXFGEBABIJ-UHFFFAOYSA-N 0 0 512.654 4.824 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C4CCC4)cc3C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000036001164 554128418 /nfs/dbraw/zinc/12/84/18/554128418.db2.gz JBHZYOGKQYESNV-UHFFFAOYSA-N 0 0 524.665 4.968 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C4CC4)cc3C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000036001166 554128345 /nfs/dbraw/zinc/12/83/45/554128345.db2.gz OEFPMGGGOZLYOM-UHFFFAOYSA-N 0 0 510.638 4.578 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001169 554128391 /nfs/dbraw/zinc/12/83/91/554128391.db2.gz NJGVBKYUMZUIAO-UHFFFAOYSA-N 0 0 516.617 4.655 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001173 554128412 /nfs/dbraw/zinc/12/84/12/554128412.db2.gz CRGIXEKKDWVHOR-UHFFFAOYSA-N 0 0 516.617 4.655 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036001175 554128375 /nfs/dbraw/zinc/12/83/75/554128375.db2.gz GRYYOZVHKJZQRV-UHFFFAOYSA-N 0 0 528.628 4.799 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000036001177 554128360 /nfs/dbraw/zinc/12/83/60/554128360.db2.gz OEMCWOGMHVQXRF-UHFFFAOYSA-N 0 0 514.626 4.643 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000036001179 554128385 /nfs/dbraw/zinc/12/83/85/554128385.db2.gz VIBXKEPWSKXXOP-UHFFFAOYSA-N 0 0 502.659 4.536 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000036001183 554128398 /nfs/dbraw/zinc/12/83/98/554128398.db2.gz IZGGHWCGQBLQFB-UHFFFAOYSA-N 0 0 516.686 4.926 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036001194 554128408 /nfs/dbraw/zinc/12/84/08/554128408.db2.gz BMXKGMFALADSOH-UHFFFAOYSA-N 0 0 514.070 4.704 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036001203 554128405 /nfs/dbraw/zinc/12/84/05/554128405.db2.gz LNFRLHGRPISISW-UHFFFAOYSA-N 0 0 514.070 4.704 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000036001223 554128365 /nfs/dbraw/zinc/12/83/65/554128365.db2.gz YEXTZKJVBTXLQM-UHFFFAOYSA-N 0 0 517.605 4.914 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000036001225 554128363 /nfs/dbraw/zinc/12/83/63/554128363.db2.gz DHEPXNHITZQHOT-UHFFFAOYSA-N 0 0 509.626 4.791 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036001229 554128402 /nfs/dbraw/zinc/12/84/02/554128402.db2.gz GWNMUCFVWWXIMP-UHFFFAOYSA-N 0 0 533.698 4.903 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001230 554128354 /nfs/dbraw/zinc/12/83/54/554128354.db2.gz FWESPXAWBXFXJR-UHFFFAOYSA-N 0 0 507.679 4.574 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036001232 554128394 /nfs/dbraw/zinc/12/83/94/554128394.db2.gz VICPSVGUJYEGMW-UHFFFAOYSA-N 0 0 527.669 4.841 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036001233 554128678 /nfs/dbraw/zinc/12/86/78/554128678.db2.gz XKQSAVXTLOXYCF-UHFFFAOYSA-N 0 0 519.690 4.718 50 0 KJAARN CCC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001235 554128696 /nfs/dbraw/zinc/12/86/96/554128696.db2.gz CCLWTXDSAIOVEB-UHFFFAOYSA-N 0 0 529.641 4.670 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)NC(C)C)CC3)c(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000036001240 554128681 /nfs/dbraw/zinc/12/86/81/554128681.db2.gz HSUQEVZEQMVSMB-UHFFFAOYSA-N 0 0 527.669 4.760 50 0 KJAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)N(C)Cc2ccccc2)CC1 ZINC000036001242 554128677 /nfs/dbraw/zinc/12/86/77/554128677.db2.gz MMJFNQGSOOIOGK-UHFFFAOYSA-N 0 0 531.632 4.590 50 0 KJAARN CCC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001246 554128688 /nfs/dbraw/zinc/12/86/88/554128688.db2.gz YZRCFVOYLSBGSX-UHFFFAOYSA-N 0 0 513.642 4.970 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)C4CC4)cc3C(=O)N(C)Cc3ccccc3)CC2)c1 ZINC000036001247 554128695 /nfs/dbraw/zinc/12/86/95/554128695.db2.gz MFPYTYQPKSZDKB-UHFFFAOYSA-N 0 0 525.653 4.970 50 0 KJAARN CCC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001250 554128655 /nfs/dbraw/zinc/12/86/55/554128655.db2.gz DBKZAFUSQQVOQL-UHFFFAOYSA-N 0 0 517.605 4.801 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000036001251 554128679 /nfs/dbraw/zinc/12/86/79/554128679.db2.gz ZSHKJJIMRJVOMC-UHFFFAOYSA-N 0 0 529.616 4.801 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001252 554128640 /nfs/dbraw/zinc/12/86/40/554128640.db2.gz APGSCLGISXSUNJ-UHFFFAOYSA-N 0 0 519.690 4.718 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000036001253 554128693 /nfs/dbraw/zinc/12/86/93/554128693.db2.gz LNHSSJUMOIWYKW-UHFFFAOYSA-N 0 0 531.701 4.862 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCCN(C(=O)NC2CCCCC2)CC1 ZINC000036001920 554129100 /nfs/dbraw/zinc/12/91/00/554129100.db2.gz VEIKXWRHXAFTCB-UHFFFAOYSA-N 0 0 511.711 4.852 50 0 KJAARN COc1ccc(C(=O)N2CCCN(c3nc(C4CC4)nc4c3cnn4-c3cccc(Cl)c3)CC2)cc1 ZINC000036002183 554129200 /nfs/dbraw/zinc/12/92/00/554129200.db2.gz XMUGXZCXKSXTEP-UHFFFAOYSA-N 0 0 503.006 4.707 50 0 KJAARN COCc1nc2c(cnn2-c2ccccc2Cl)c(NC2CCC(NC(=O)c3ccc(OC)cc3)CC2)n1 ZINC000036003063 554129370 /nfs/dbraw/zinc/12/93/70/554129370.db2.gz MXPWZULSKOUUID-UHFFFAOYSA-N 0 0 521.021 4.777 50 0 KJAARN COCc1nc2c(cnn2-c2ccccc2Cl)c(NC2CCC(NC(=O)c3ccccc3F)CC2)n1 ZINC000036003068 554129340 /nfs/dbraw/zinc/12/93/40/554129340.db2.gz HMGVCWBFWMDWCY-UHFFFAOYSA-N 0 0 508.985 4.908 50 0 KJAARN COCc1nc2c(cnn2-c2ccccc2Cl)c(NC2CCC(NC(=O)c3cccc(F)c3)CC2)n1 ZINC000036003069 554129279 /nfs/dbraw/zinc/12/92/79/554129279.db2.gz MRLWIHCDXGMICK-UHFFFAOYSA-N 0 0 508.985 4.908 50 0 KJAARN COCc1nc2c(cnn2-c2ccccc2Cl)c(NC2CCC(NC(=O)c3cccc(OC)c3)CC2)n1 ZINC000036003072 554129308 /nfs/dbraw/zinc/12/93/08/554129308.db2.gz DGKYOTNORVBPMJ-UHFFFAOYSA-N 0 0 521.021 4.777 50 0 KJAARN 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CCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036005817 554131014 /nfs/dbraw/zinc/13/10/14/554131014.db2.gz LROTZRSMXOEQDR-UHFFFAOYSA-N 0 0 504.675 4.958 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCN(C(=O)C2CC2)CC1 ZINC000036005819 554130968 /nfs/dbraw/zinc/13/09/68/554130968.db2.gz QOBGMDTXGKGRQK-UHFFFAOYSA-N 0 0 530.591 4.888 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000036005840 554130901 /nfs/dbraw/zinc/13/09/01/554130901.db2.gz OTYLRTCPUHDQNU-UHFFFAOYSA-N 0 0 508.638 4.789 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000036005845 554130924 /nfs/dbraw/zinc/13/09/24/554130924.db2.gz LGUWMNHCEWGZIS-UHFFFAOYSA-N 0 0 522.646 4.974 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000036005848 554131016 /nfs/dbraw/zinc/13/10/16/554131016.db2.gz WCPIYCAWLIFCBB-UHFFFAOYSA-N 0 0 516.617 4.913 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000036005850 554130998 /nfs/dbraw/zinc/13/09/98/554130998.db2.gz LSQUTVZMDBMEAU-UHFFFAOYSA-N 0 0 508.638 4.789 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1N1CCCN(C(=O)C2CCCC2)CC1 ZINC000036005859 554130979 /nfs/dbraw/zinc/13/09/79/554130979.db2.gz OPSYOXHPEWKSNT-UHFFFAOYSA-N 0 0 520.674 4.658 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCCN(C(=O)C2CCCC2)CC1 ZINC000036005864 554130950 /nfs/dbraw/zinc/13/09/50/554130950.db2.gz CQJRIUPOLDWESV-UHFFFAOYSA-N 0 0 508.638 4.789 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCN(C(=O)C2CCCC2)CC1 ZINC000036005865 554130931 /nfs/dbraw/zinc/13/09/31/554130931.db2.gz YWNQZTRPAYAHKT-UHFFFAOYSA-N 0 0 508.638 4.789 50 0 KJAARN CC[C@H](C(=O)N1CCCN(c2ccc(NC(=O)C(C)C)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000036005874 554131265 /nfs/dbraw/zinc/13/12/65/554131265.db2.gz FANMGSOHFJYTTC-VWLOTQADSA-N 0 0 506.691 4.996 50 0 KJAARN CC[C@@H](C(=O)N1CCCN(c2ccc(NC(=O)C(C)C)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000036005875 554131256 /nfs/dbraw/zinc/13/12/56/554131256.db2.gz FANMGSOHFJYTTC-RUZDIDTESA-N 0 0 506.691 4.996 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCN(C(=O)C2CC2)CC1 ZINC000036005890 554131235 /nfs/dbraw/zinc/13/12/35/554131235.db2.gz BVBUOUQJISJGFA-UHFFFAOYSA-N 0 0 528.628 4.799 50 0 KJAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036005893 554131284 /nfs/dbraw/zinc/13/12/84/554131284.db2.gz MKKSKTWZRQBLGT-UHFFFAOYSA-N 0 0 516.617 4.799 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000036005894 554131281 /nfs/dbraw/zinc/13/12/81/554131281.db2.gz PWDHEDSVDBKRIK-UHFFFAOYSA-N 0 0 528.628 4.799 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)C3CCCC3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036005898 554131292 /nfs/dbraw/zinc/13/12/92/554131292.db2.gz RWBVZRBSJUPIJN-UHFFFAOYSA-N 0 0 504.675 4.782 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCN(C(=O)C2CCCC2)CC1 ZINC000036005899 554131298 /nfs/dbraw/zinc/13/12/98/554131298.db2.gz BLUHCFWAUUZRHL-UHFFFAOYSA-N 0 0 516.686 4.926 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCN(C(=O)C2CCCC2)CC1 ZINC000036005902 554131270 /nfs/dbraw/zinc/13/12/70/554131270.db2.gz CNUZUVNDZVDUAV-UHFFFAOYSA-N 0 0 502.659 4.536 50 0 KJAARN COc1ccc(NC(=O)N2CCCN(c3ccc(NC(=O)CC(C)C)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000036005907 554131263 /nfs/dbraw/zinc/13/12/63/554131263.db2.gz YWYLWAILCNZXMG-UHFFFAOYSA-N 0 0 521.662 4.660 50 0 KJAARN COc1ccc(NC(=O)N2CCCN(c3ccc(NC(=O)C4CCCC4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000036005910 554131253 /nfs/dbraw/zinc/13/12/53/554131253.db2.gz IOQJPGGRJZMMMX-UHFFFAOYSA-N 0 0 533.673 4.804 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1N1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000036005917 554131304 /nfs/dbraw/zinc/13/13/04/554131304.db2.gz ACYZBFKKYLSZCU-UHFFFAOYSA-N 0 0 507.679 4.750 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCN(C(=O)Nc2ccc(OC)cc2)CC1 ZINC000036005921 554131278 /nfs/dbraw/zinc/13/12/78/554131278.db2.gz TVXFCQRVKIIPRD-UHFFFAOYSA-N 0 0 521.662 4.660 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)CC(C)C)ccc1N1CCCN(C(=O)Nc2ccc(OC)cc2)CC1 ZINC000036005922 554131483 /nfs/dbraw/zinc/13/14/83/554131483.db2.gz UUHXPKUJIOEXMI-UHFFFAOYSA-N 0 0 523.678 4.906 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(C)=O)ccc1N1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000036005934 554131404 /nfs/dbraw/zinc/13/14/04/554131404.db2.gz IIIZZCZXJCEEJH-UHFFFAOYSA-N 0 0 519.568 4.890 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCCN(C(=O)NC(C)C)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036005952 554131412 /nfs/dbraw/zinc/13/14/12/554131412.db2.gz ALMIHKGPTDEGFF-UHFFFAOYSA-N 0 0 507.679 4.574 50 0 KJAARN CC(C)NC(=O)N1CCCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)N(C)Cc2ccccc2)CC1 ZINC000036005955 554131402 /nfs/dbraw/zinc/13/14/02/554131402.db2.gz PYBRZTIAFAEMOM-UHFFFAOYSA-N 0 0 519.690 4.718 50 0 KJAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccccc4)C(C)C)cc3)CC2)cc1 ZINC000036005961 554131434 /nfs/dbraw/zinc/13/14/34/554131434.db2.gz ROUTYJWRKPVLDW-UHFFFAOYSA-N 0 0 529.641 4.539 50 0 KJAARN CCCNC(=O)Nc1ccc(N2CCCN(C(=O)[C@@H](CC)c3ccccc3)CC2)c(C(=O)N(CC)CC)c1 ZINC000036005967 554131480 /nfs/dbraw/zinc/13/14/80/554131480.db2.gz IXEHKMWOHNFUSQ-VWLOTQADSA-N 0 0 521.706 4.933 50 0 KJAARN CCCNC(=O)Nc1ccc(N2CCCN(C(=O)[C@H](CC)c3ccccc3)CC2)c(C(=O)N(CC)CC)c1 ZINC000036005968 554131430 /nfs/dbraw/zinc/13/14/30/554131430.db2.gz IXEHKMWOHNFUSQ-RUZDIDTESA-N 0 0 521.706 4.933 50 0 KJAARN COc1ccc(-n2nc(C)c3c2nc(C2CC2)nc3N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000036006032 554131393 /nfs/dbraw/zinc/13/13/93/554131393.db2.gz WVWDJWLRFDNBAM-UHFFFAOYSA-N 0 0 503.006 4.626 50 0 KJAARN O=C(Oc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000036006855 554131986 /nfs/dbraw/zinc/13/19/86/554131986.db2.gz ABYDLDQOJKOPIT-YCAMKHIRSA-N 0 0 504.464 4.701 50 0 KJAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000036006929 554131994 /nfs/dbraw/zinc/13/19/94/554131994.db2.gz HSLQSUSSRCHAPT-QYOOZWMWSA-N 0 0 511.965 4.697 50 0 KJAARN COc1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c1=O ZINC000036008267 554132333 /nfs/dbraw/zinc/13/23/33/554132333.db2.gz ATZVAHGRDZDLEP-NRFANRHFSA-N 0 0 505.574 4.700 50 0 KJAARN COc1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1=O ZINC000036008268 554132373 /nfs/dbraw/zinc/13/23/73/554132373.db2.gz ATZVAHGRDZDLEP-OAQYLSRUSA-N 0 0 505.574 4.700 50 0 KJAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)NCc3cccc(C(F)(F)F)c3)c2=O)cc1C ZINC000036008579 554132335 /nfs/dbraw/zinc/13/23/35/554132335.db2.gz AAXDNBPZWAAHLE-UHFFFAOYSA-N 0 0 515.919 4.758 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccc(F)c1)SCC(=O)N2CC(=O)NC1CC1 ZINC000036008774 554132314 /nfs/dbraw/zinc/13/23/14/554132314.db2.gz LICBSAJIPIJFNG-XMMPIXPASA-N 0 0 510.610 4.896 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccc(F)c1)SCC(=O)N2CC(=O)NC1CC1 ZINC000036008776 554132350 /nfs/dbraw/zinc/13/23/50/554132350.db2.gz LICBSAJIPIJFNG-DEOSSOPVSA-N 0 0 510.610 4.896 50 0 KJAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000036008821 554132316 /nfs/dbraw/zinc/13/23/16/554132316.db2.gz AXDXRNRDRZNPRC-QHCPKHFHSA-N 0 0 526.611 4.685 50 0 KJAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000036008823 554132327 /nfs/dbraw/zinc/13/23/27/554132327.db2.gz AXDXRNRDRZNPRC-HSZRJFAPSA-N 0 0 526.611 4.685 50 0 KJAARN CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)n1c2ccccc2c(=O)n(-c2cccc(C(C)=O)c2)c1=O ZINC000036009182 554132491 /nfs/dbraw/zinc/13/24/91/554132491.db2.gz WFOYHYYTYMGNHK-QHCPKHFHSA-N 0 0 523.511 4.641 50 0 KJAARN CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)n1c2ccccc2c(=O)n(-c2cccc(C(C)=O)c2)c1=O ZINC000036009184 554132559 /nfs/dbraw/zinc/13/25/59/554132559.db2.gz WFOYHYYTYMGNHK-HSZRJFAPSA-N 0 0 523.511 4.641 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@@H](c2cccc(C)c2)SCC1=O ZINC000036010121 554132762 /nfs/dbraw/zinc/13/27/62/554132762.db2.gz XGYJRXIDGKXATP-AREMUKBSSA-N 0 0 520.699 4.718 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@H](c2cccc(C)c2)SCC1=O ZINC000036010122 554132786 /nfs/dbraw/zinc/13/27/86/554132786.db2.gz XGYJRXIDGKXATP-SANMLTNESA-N 0 0 520.699 4.718 50 0 KJAARN CCN1CCN(C(=O)CN(Cc2ccccc2)C(=O)c2csc(Nc3cc(Cl)ccc3C)n2)CC1 ZINC000036010926 554132749 /nfs/dbraw/zinc/13/27/49/554132749.db2.gz VRWKENZFMPXBJI-UHFFFAOYSA-N 0 0 512.079 4.655 50 0 KJAARN COc1ccc(C(=O)N(Cc2cc(-c3ccc(OC)cc3OC)on2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036012247 554132951 /nfs/dbraw/zinc/13/29/51/554132951.db2.gz BUFAQERYFKREJD-UHFFFAOYSA-N 0 0 502.523 4.939 50 0 KJAARN COc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccc4c(c3)OCO4)no2)c(OC)c1 ZINC000036012257 554133055 /nfs/dbraw/zinc/13/30/55/554133055.db2.gz JQLQLLBFXVWZSA-UHFFFAOYSA-N 0 0 516.506 4.659 50 0 KJAARN COc1cc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc3)no2)cc(OC)c1OC ZINC000036012434 554133058 /nfs/dbraw/zinc/13/30/58/554133058.db2.gz AQNUZRSCZVVTBA-UHFFFAOYSA-N 0 0 502.523 4.939 50 0 KJAARN COc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)no2)c(OC)c1 ZINC000036012917 554133001 /nfs/dbraw/zinc/13/30/01/554133001.db2.gz KQYUFTOJGAVRBA-UHFFFAOYSA-N 0 0 522.579 4.787 50 0 KJAARN COc1cc(-c2cc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc3)no2)cc(OC)c1OC ZINC000036012959 554132989 /nfs/dbraw/zinc/13/29/89/554132989.db2.gz NKFMVWHTVBDANH-UHFFFAOYSA-N 0 0 512.559 4.898 50 0 KJAARN CC(=O)Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036013015 554133182 /nfs/dbraw/zinc/13/31/82/554133182.db2.gz SPMYWHCRXFSVML-UHFFFAOYSA-N 0 0 519.045 4.923 50 0 KJAARN CC(C)CC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1)Cc1ccc(F)cc1 ZINC000036013125 554133479 /nfs/dbraw/zinc/13/34/79/554133479.db2.gz NXYBATAYTHCZHB-UHFFFAOYSA-N 0 0 510.654 4.534 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C3CCCC3)cc2)CC1 ZINC000036013131 554133496 /nfs/dbraw/zinc/13/34/96/554133496.db2.gz WTKRQABGQLYPFC-UHFFFAOYSA-N 0 0 522.665 4.678 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)C(C)C)cc3)CC2)cc1 ZINC000036013167 554133521 /nfs/dbraw/zinc/13/35/21/554133521.db2.gz MLBRWPFFXAUQLP-UHFFFAOYSA-N 0 0 512.654 4.581 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)C4CCC4)cc3)CC2)cc1 ZINC000036013168 554133491 /nfs/dbraw/zinc/13/34/91/554133491.db2.gz BMZBBHHBYQTKLJ-UHFFFAOYSA-N 0 0 524.665 4.725 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccc(F)cc4)C(C)C)cc3)CC2)cc1 ZINC000036013177 554133472 /nfs/dbraw/zinc/13/34/72/554133472.db2.gz UDUQPYVEUUSQPZ-UHFFFAOYSA-N 0 0 516.617 4.586 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4cccs4)C(C)C)cc3)CC2)cc1 ZINC000036013186 554133419 /nfs/dbraw/zinc/13/34/19/554133419.db2.gz QFGKZKHCLQYZFN-UHFFFAOYSA-N 0 0 504.656 4.508 50 0 KJAARN Cc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)C(C)C)cc1 ZINC000036013195 554133468 /nfs/dbraw/zinc/13/34/68/554133468.db2.gz ADZSHUOODWGICD-UHFFFAOYSA-N 0 0 512.654 4.755 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccccc4F)C(C)C)cc3)CC2)cc1 ZINC000036013197 554133414 /nfs/dbraw/zinc/13/34/14/554133414.db2.gz BKMBCZXIZNCAEJ-UHFFFAOYSA-N 0 0 516.617 4.586 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1ccc(F)cc1 ZINC000036013200 554133509 /nfs/dbraw/zinc/13/35/09/554133509.db2.gz VWSJZTCDBTUIMD-UHFFFAOYSA-N 0 0 516.617 4.587 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1cccs1 ZINC000036013207 554133460 /nfs/dbraw/zinc/13/34/60/554133460.db2.gz PYIBSHABEJBDGG-UHFFFAOYSA-N 0 0 504.656 4.510 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000036013215 554133406 /nfs/dbraw/zinc/13/34/06/554133406.db2.gz KGMGWXOSIATWBT-UHFFFAOYSA-N 0 0 512.654 4.757 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1ccccc1F ZINC000036013219 554133487 /nfs/dbraw/zinc/13/34/87/554133487.db2.gz SIAJFRYOTISXOO-UHFFFAOYSA-N 0 0 516.617 4.587 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1cccc(F)c1 ZINC000036013222 554133646 /nfs/dbraw/zinc/13/36/46/554133646.db2.gz UHQHCVRBRSNGLC-UHFFFAOYSA-N 0 0 516.617 4.587 50 0 KJAARN O=C(CN(Cc1ccccc1)C(=O)C1CCC1)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000036013282 554133663 /nfs/dbraw/zinc/13/36/63/554133663.db2.gz DSIAXPOUFCXFGV-UHFFFAOYSA-N 0 0 528.628 4.556 50 0 KJAARN CC(C)CC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)Cc1ccccc1 ZINC000036013285 554133640 /nfs/dbraw/zinc/13/36/40/554133640.db2.gz OLJVOGJZFUSGNH-UHFFFAOYSA-N 0 0 530.644 4.802 50 0 KJAARN Cc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)cc2)C(C)C)cc1 ZINC000036013306 554133691 /nfs/dbraw/zinc/13/36/91/554133691.db2.gz IGWHEHWQMXBMBK-UHFFFAOYSA-N 0 0 516.617 4.586 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000036013335 554133920 /nfs/dbraw/zinc/13/39/20/554133920.db2.gz UOLWRUHJWHZANE-UHFFFAOYSA-N 0 0 516.617 4.587 50 0 KJAARN O=C(CN(Cc1ccccc1)C(=O)C1CCC1)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000036013387 554133922 /nfs/dbraw/zinc/13/39/22/554133922.db2.gz OWWSJCZUPLEFFL-UHFFFAOYSA-N 0 0 528.628 4.556 50 0 KJAARN CC(C)CC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)Cc1ccccc1 ZINC000036013388 554133980 /nfs/dbraw/zinc/13/39/80/554133980.db2.gz SGPYAWGZBAJLBY-UHFFFAOYSA-N 0 0 530.644 4.802 50 0 KJAARN Cc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)cc2)C(C)C)cc1 ZINC000036013410 554133912 /nfs/dbraw/zinc/13/39/12/554133912.db2.gz RZNNICRPJFHXRB-UHFFFAOYSA-N 0 0 516.617 4.586 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000036013438 554134195 /nfs/dbraw/zinc/13/41/95/554134195.db2.gz CXSWLLYCDAJQSQ-UHFFFAOYSA-N 0 0 516.617 4.587 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccc(F)cc4)C(C)C)cc3)CC2)c1 ZINC000036013462 554134140 /nfs/dbraw/zinc/13/41/40/554134140.db2.gz NUQCCZNNWKAKEU-UHFFFAOYSA-N 0 0 531.632 4.978 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccccc4F)C(C)C)cc3)CC2)c1 ZINC000036013477 554134168 /nfs/dbraw/zinc/13/41/68/554134168.db2.gz GJQMEPDSSGSKRP-UHFFFAOYSA-N 0 0 531.632 4.978 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4cccc(F)c4)C(C)C)cc3)CC2)c1 ZINC000036013478 554134125 /nfs/dbraw/zinc/13/41/25/554134125.db2.gz PAYBVKGGDFZMDR-UHFFFAOYSA-N 0 0 531.632 4.978 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)C4CCCC4)C(C)C)cc3)CC2)c1 ZINC000036013479 554134158 /nfs/dbraw/zinc/13/41/58/554134158.db2.gz QQSQWJQZYXASSC-UHFFFAOYSA-N 0 0 505.663 4.715 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)c1ccc(F)cc1 ZINC000036013484 554134179 /nfs/dbraw/zinc/13/41/79/554134179.db2.gz YXGXVQGWSPFSML-UHFFFAOYSA-N 0 0 531.632 4.979 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)c1cccs1 ZINC000036013488 554134191 /nfs/dbraw/zinc/13/41/91/554134191.db2.gz KXTLGFQWDOQILC-UHFFFAOYSA-N 0 0 519.671 4.902 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)c1ccccc1 ZINC000036013493 554134171 /nfs/dbraw/zinc/13/41/71/554134171.db2.gz QKXQXCBOXQVLKH-UHFFFAOYSA-N 0 0 513.642 4.840 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)c1ccccc1F ZINC000036013496 554134128 /nfs/dbraw/zinc/13/41/28/554134128.db2.gz OEFWJJYYRAGIGT-UHFFFAOYSA-N 0 0 531.632 4.979 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)c1cccc(F)c1 ZINC000036013497 554134162 /nfs/dbraw/zinc/13/41/62/554134162.db2.gz VFXUKOHIZUJJSX-UHFFFAOYSA-N 0 0 531.632 4.979 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)C1CCCC1 ZINC000036013498 554134151 /nfs/dbraw/zinc/13/41/51/554134151.db2.gz LCWZXLYPYQJKBF-UHFFFAOYSA-N 0 0 505.663 4.716 50 0 KJAARN CCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)Cc1ccc(F)cc1 ZINC000036013500 554134102 /nfs/dbraw/zinc/13/41/02/554134102.db2.gz GLCWDDFJPNSAJL-UHFFFAOYSA-N 0 0 531.632 4.866 50 0 KJAARN CC(C)C(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)Cc1ccccc1 ZINC000036013511 554134383 /nfs/dbraw/zinc/13/43/83/554134383.db2.gz XHGYRQVLQPDTLG-UHFFFAOYSA-N 0 0 531.632 4.803 50 0 KJAARN O=C(CN(Cc1ccccc1)C(=O)C1CC1)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1 ZINC000036013512 554134324 /nfs/dbraw/zinc/13/43/24/554134324.db2.gz OGFYAWBEYWULBA-UHFFFAOYSA-N 0 0 529.616 4.557 50 0 KJAARN CC(C)N(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccccc1 ZINC000036013517 554134371 /nfs/dbraw/zinc/13/43/71/554134371.db2.gz RJALBNXMDVXBAM-UHFFFAOYSA-N 0 0 517.605 4.669 50 0 KJAARN Cc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)cc2)C(C)C)cc1 ZINC000036013518 554134394 /nfs/dbraw/zinc/13/43/94/554134394.db2.gz DHDIVSNTHBAVJS-UHFFFAOYSA-N 0 0 531.632 4.978 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1cccs1 ZINC000036013524 554134285 /nfs/dbraw/zinc/13/42/85/554134285.db2.gz PUMIQNPJBARNBZ-UHFFFAOYSA-N 0 0 523.634 4.732 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccccc1 ZINC000036013526 554134362 /nfs/dbraw/zinc/13/43/62/554134362.db2.gz CDPMHBUHBOPGGJ-UHFFFAOYSA-N 0 0 517.605 4.671 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000036013527 554134269 /nfs/dbraw/zinc/13/42/69/554134269.db2.gz ICEDDUUOEVPCBF-UHFFFAOYSA-N 0 0 531.632 4.979 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)C1CCCC1 ZINC000036013528 554134397 /nfs/dbraw/zinc/13/43/97/554134397.db2.gz DQFNAVSSNWOSEZ-UHFFFAOYSA-N 0 0 509.626 4.547 50 0 KJAARN CC(C)CC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1)Cc1ccccc1 ZINC000036013537 554134341 /nfs/dbraw/zinc/13/43/41/554134341.db2.gz CGJIYXHCMJKVHN-UHFFFAOYSA-N 0 0 533.717 4.864 50 0 KJAARN Cc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)NC4CCCCC4)CC3)cc2)C(C)C)cc1 ZINC000036013549 554134356 /nfs/dbraw/zinc/13/43/56/554134356.db2.gz KZVIHFWHMYHGGX-UHFFFAOYSA-N 0 0 519.690 4.649 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)NC(C)(C)C)C(C)C)cc3)CC2)c1 ZINC000036013617 554134588 /nfs/dbraw/zinc/13/45/88/554134588.db2.gz YZKIMZCWPIKZLJ-UHFFFAOYSA-N 0 0 508.667 4.506 50 0 KJAARN COCCN(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)S(=O)(=O)c1cccc(Cl)c1 ZINC000036014951 554135430 /nfs/dbraw/zinc/13/54/30/554135430.db2.gz FPISSBCVNWWLFE-UHFFFAOYSA-N 0 0 508.065 4.557 50 0 KJAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCc3ccc(F)cc3)Cc3ccccc3)no2)c1 ZINC000036015096 554135508 /nfs/dbraw/zinc/13/55/08/554135508.db2.gz TVOZJEAVSWRAEG-UHFFFAOYSA-N 0 0 517.557 4.847 50 0 KJAARN CCCN(Cc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000036015152 554135413 /nfs/dbraw/zinc/13/54/13/554135413.db2.gz GLFOPYLEERKXTE-UHFFFAOYSA-N 0 0 501.674 4.605 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)c3cccs3)cc2)CC1 ZINC000036016466 554135790 /nfs/dbraw/zinc/13/57/90/554135790.db2.gz PINZQPDCFLSACK-UHFFFAOYSA-N 0 0 533.698 4.659 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccccc3)cc2)CC1 ZINC000036016468 554135767 /nfs/dbraw/zinc/13/57/67/554135767.db2.gz SLICTKMTUPPUGK-UHFFFAOYSA-N 0 0 527.669 4.598 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C3CCCC3)cc2)CC1 ZINC000036016536 554135731 /nfs/dbraw/zinc/13/57/31/554135731.db2.gz NZNFJCOSCOZSDN-UHFFFAOYSA-N 0 0 537.680 4.613 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccccc4F)C(C)C)cc3)CC2)cc1 ZINC000036016596 554136037 /nfs/dbraw/zinc/13/60/37/554136037.db2.gz FAFHVSKEWCWFSY-UHFFFAOYSA-N 0 0 531.632 4.978 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)C4CCCC4)C(C)C)cc3)CC2)cc1 ZINC000036016598 554135977 /nfs/dbraw/zinc/13/59/77/554135977.db2.gz OFRCDFTUZITNKF-UHFFFAOYSA-N 0 0 505.663 4.715 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1)C(=O)NC(C)(C)C ZINC000036016633 554136061 /nfs/dbraw/zinc/13/60/61/554136061.db2.gz BDKHMJCXBZTBQX-UHFFFAOYSA-N 0 0 508.667 4.508 50 0 KJAARN CC1CCC2(CC1)OC[C@@H](C(=O)NCc1ccc3c(c1)OCO3)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000036018112 554136893 /nfs/dbraw/zinc/13/68/93/554136893.db2.gz CHADDDNCYQCAQL-RSASLARPSA-N 0 0 505.398 4.786 50 0 KJAARN CC1CCC2(CC1)OC[C@H](C(=O)NCc1ccc3c(c1)OCO3)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000036018114 554136947 /nfs/dbraw/zinc/13/69/47/554136947.db2.gz CHADDDNCYQCAQL-CBKUQWHMSA-N 0 0 505.398 4.786 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019203 554137426 /nfs/dbraw/zinc/13/74/26/554137426.db2.gz RPCZXJQVSNFTTL-UHFFFAOYSA-N 0 0 522.646 4.764 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019206 554137390 /nfs/dbraw/zinc/13/73/90/554137390.db2.gz LVVQTIRNUJUFTL-UHFFFAOYSA-N 0 0 516.617 4.703 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019208 554137381 /nfs/dbraw/zinc/13/73/81/554137381.db2.gz XMESWTPUPJTHHU-UHFFFAOYSA-N 0 0 508.638 4.579 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019227 554137491 /nfs/dbraw/zinc/13/74/91/554137491.db2.gz CVUFYIKWOPHNDD-UHFFFAOYSA-N 0 0 508.638 4.579 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C2CCCC2)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000036019230 554137508 /nfs/dbraw/zinc/13/75/08/554137508.db2.gz IFYRVOSGHZVJBF-UHFFFAOYSA-N 0 0 520.649 4.723 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(C)=O)cc2C(=O)NCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000036019232 554137498 /nfs/dbraw/zinc/13/74/98/554137498.db2.gz JYLVQAQLQVNFOS-SANMLTNESA-N 0 0 516.617 4.557 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(C)=O)cc2C(=O)NCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000036019233 554137513 /nfs/dbraw/zinc/13/75/13/554137513.db2.gz JYLVQAQLQVNFOS-AREMUKBSSA-N 0 0 516.617 4.557 50 0 KJAARN CCC(=O)Nc1ccc(N2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019234 554137503 /nfs/dbraw/zinc/13/75/03/554137503.db2.gz CQRRDXVEQMFLRS-SANMLTNESA-N 0 0 530.644 4.947 50 0 KJAARN CCC(=O)Nc1ccc(N2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019235 554137739 /nfs/dbraw/zinc/13/77/39/554137739.db2.gz CQRRDXVEQMFLRS-AREMUKBSSA-N 0 0 530.644 4.947 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCCN(C(=O)c3ccco3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019238 554137710 /nfs/dbraw/zinc/13/77/10/554137710.db2.gz FRLVIYNSHCNLOL-UHFFFAOYSA-N 0 0 520.605 4.686 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C2CCCC2)ccc1N1CCCN(C(=O)c2ccco2)CC1 ZINC000036019241 554137696 /nfs/dbraw/zinc/13/76/96/554137696.db2.gz HQIHRSMEEZHHKA-UHFFFAOYSA-N 0 0 532.616 4.830 50 0 KJAARN CC(C)CC(=O)N1CCCN(c2ccc(NC(=O)c3ccco3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019243 554137750 /nfs/dbraw/zinc/13/77/50/554137750.db2.gz QUNSWJBHDUIJJL-UHFFFAOYSA-N 0 0 520.605 4.686 50 0 KJAARN CC(C)CC(=O)N1CCCN(c2ccc(NC(=O)C3CCC3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019245 554137724 /nfs/dbraw/zinc/13/77/24/554137724.db2.gz MEBOTSHSKZEXCT-UHFFFAOYSA-N 0 0 508.638 4.579 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCCN(C(=O)CC(C)C)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019246 554137757 /nfs/dbraw/zinc/13/77/57/554137757.db2.gz VESOXWWWXIJTIR-UHFFFAOYSA-N 0 0 510.654 4.825 50 0 KJAARN CC(C)CC(=O)N1CCCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019250 554137786 /nfs/dbraw/zinc/13/77/86/554137786.db2.gz SODBAZRLBKUSJW-UHFFFAOYSA-N 0 0 522.665 4.969 50 0 KJAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)c3ccc(C)cc3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019253 554137743 /nfs/dbraw/zinc/13/77/43/554137743.db2.gz PFTLCPGQLBSDCW-UHFFFAOYSA-N 0 0 516.617 4.765 50 0 KJAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)C4CC4)cc3C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000036019254 554137713 /nfs/dbraw/zinc/13/77/13/554137713.db2.gz APQFZAIKQBPANN-UHFFFAOYSA-N 0 0 528.628 4.765 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1)c1cccs1 ZINC000036019259 554137795 /nfs/dbraw/zinc/13/77/95/554137795.db2.gz LMAUOIBMLSYCMM-UHFFFAOYSA-N 0 0 520.630 4.518 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc(N3CCCN(C(=O)C4CC4)CC3)c(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000036019262 554137774 /nfs/dbraw/zinc/13/77/74/554137774.db2.gz HSABEBMLNFDTNQ-UHFFFAOYSA-N 0 0 528.628 4.765 50 0 KJAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)c3ccccc3F)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019265 554137754 /nfs/dbraw/zinc/13/77/54/554137754.db2.gz IMJFUTZVFFXZCV-UHFFFAOYSA-N 0 0 520.580 4.596 50 0 KJAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019266 554137798 /nfs/dbraw/zinc/13/77/98/554137798.db2.gz WATJICDYZUEKIG-UHFFFAOYSA-N 0 0 520.580 4.596 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1)c1ccco1 ZINC000036019267 554137690 /nfs/dbraw/zinc/13/76/90/554137690.db2.gz CBXUBOAMDJYGJK-UHFFFAOYSA-N 0 0 532.616 4.830 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)C3CCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019268 554137720 /nfs/dbraw/zinc/13/77/20/554137720.db2.gz HIGLSZJDYGRTPS-UHFFFAOYSA-N 0 0 508.638 4.579 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCCN(C(=O)C3CCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019270 554137766 /nfs/dbraw/zinc/13/77/66/554137766.db2.gz AVKWCIWQROGFJD-UHFFFAOYSA-N 0 0 522.665 4.969 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000036019352 554137973 /nfs/dbraw/zinc/13/79/73/554137973.db2.gz DCIJODPPNFSKMW-UHFFFAOYSA-N 0 0 528.628 4.975 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000036019356 554137965 /nfs/dbraw/zinc/13/79/65/554137965.db2.gz OEWLTKZBHFIHIN-UHFFFAOYSA-N 0 0 516.667 4.897 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C4CCCC4)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000036019361 554138223 /nfs/dbraw/zinc/13/82/23/554138223.db2.gz JBPRFRQJLBEVLU-UHFFFAOYSA-N 0 0 502.659 4.712 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C(=O)N2CCCCC2)c1)C1CCCC1 ZINC000036019383 554138268 /nfs/dbraw/zinc/13/82/68/554138268.db2.gz SZEIDQLVRSRZLP-UHFFFAOYSA-N 0 0 506.622 4.543 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCCC2)c1)c1cccs1 ZINC000036019388 554138258 /nfs/dbraw/zinc/13/82/58/554138258.db2.gz OQMVVHNVSIVAFN-UHFFFAOYSA-N 0 0 520.630 4.728 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000036019390 554138246 /nfs/dbraw/zinc/13/82/46/554138246.db2.gz XWHQXKGVCLKOPO-UHFFFAOYSA-N 0 0 514.601 4.667 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCCC2)c1)C1CCCC1 ZINC000036019392 554138207 /nfs/dbraw/zinc/13/82/07/554138207.db2.gz UKIYHELCISONPO-UHFFFAOYSA-N 0 0 506.622 4.543 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCCC2)c1)c1ccc(F)cc1 ZINC000036019393 554138303 /nfs/dbraw/zinc/13/83/03/554138303.db2.gz RDSNXCBSCHPUAZ-UHFFFAOYSA-N 0 0 506.622 4.543 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCCC2)c1)c1ccccc1F ZINC000036019404 554138270 /nfs/dbraw/zinc/13/82/70/554138270.db2.gz BZQGELTYZYQSTK-UHFFFAOYSA-N 0 0 506.622 4.543 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000036019410 554138285 /nfs/dbraw/zinc/13/82/85/554138285.db2.gz ISCRVVMHXZPEAV-VWLOTQADSA-N 0 0 504.675 4.750 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000036019411 554138212 /nfs/dbraw/zinc/13/82/12/554138212.db2.gz ISCRVVMHXZPEAV-RUZDIDTESA-N 0 0 504.675 4.750 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C3CCC3)cc2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000036019412 554138250 /nfs/dbraw/zinc/13/82/50/554138250.db2.gz WCEGIISVOZSFDT-SANMLTNESA-N 0 0 516.686 4.894 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C3CCC3)cc2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000036019413 554138232 /nfs/dbraw/zinc/13/82/32/554138232.db2.gz WCEGIISVOZSFDT-AREMUKBSSA-N 0 0 516.686 4.894 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000036019416 554138291 /nfs/dbraw/zinc/13/82/91/554138291.db2.gz XMZXHZRDNHUKKK-VWLOTQADSA-N 0 0 502.659 4.504 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000036019417 554138220 /nfs/dbraw/zinc/13/82/20/554138220.db2.gz XMZXHZRDNHUKKK-RUZDIDTESA-N 0 0 502.659 4.504 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc(N3CCCN(C(=O)CC(C)C)CC3)c(C(=O)N3CCCCC3)c2)cc1 ZINC000036019435 554138215 /nfs/dbraw/zinc/13/82/15/554138215.db2.gz ZWNKHDQKYWRSEZ-UHFFFAOYSA-N 0 0 504.675 4.958 50 0 KJAARN CC(C)CC(=O)N1CCCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)N2CCCCC2)CC1 ZINC000036019437 554138275 /nfs/dbraw/zinc/13/82/75/554138275.db2.gz HKOGYBIEJNBBJY-UHFFFAOYSA-N 0 0 508.638 4.789 50 0 KJAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)c4ccco4)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000036019439 554138311 /nfs/dbraw/zinc/13/83/11/554138311.db2.gz LDMHSMSSUDSNKS-UHFFFAOYSA-N 0 0 514.626 4.819 50 0 KJAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)C4CCC4)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000036019441 554138299 /nfs/dbraw/zinc/13/82/99/554138299.db2.gz ZANWDFWHCSBCPD-UHFFFAOYSA-N 0 0 502.659 4.712 50 0 KJAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)CC(C)C)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000036019443 554138210 /nfs/dbraw/zinc/13/82/10/554138210.db2.gz AXQDWCYKFYYGCQ-UHFFFAOYSA-N 0 0 504.675 4.958 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCCC2)c1)c1ccccc1Cl ZINC000036019452 554138466 /nfs/dbraw/zinc/13/84/66/554138466.db2.gz WCLGBXWMJQMPLB-UHFFFAOYSA-N 0 0 509.050 4.667 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000036019458 554138471 /nfs/dbraw/zinc/13/84/71/554138471.db2.gz WDNFUQFOWMGNIT-UHFFFAOYSA-N 0 0 509.050 4.667 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCCC2)c1)c1ccco1 ZINC000036019461 554138469 /nfs/dbraw/zinc/13/84/69/554138469.db2.gz KSFXTGMECDLALT-UHFFFAOYSA-N 0 0 518.589 4.650 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCCC2)c1)C1CCC1 ZINC000036019464 554138487 /nfs/dbraw/zinc/13/84/87/554138487.db2.gz PNIRSZSQFWKGHA-UHFFFAOYSA-N 0 0 506.622 4.543 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019465 554138500 /nfs/dbraw/zinc/13/85/00/554138500.db2.gz IAJNWDKSGHSNPD-UHFFFAOYSA-N 0 0 508.638 4.789 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCCCC2)c1)c1ccc(F)cc1 ZINC000036019469 554138533 /nfs/dbraw/zinc/13/85/33/554138533.db2.gz QUOUZJHRHFPVGG-UHFFFAOYSA-N 0 0 520.649 4.933 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCCN(C(=O)C4CCCC4)CC3)c(C(=O)N3CCCCC3)c2)c1 ZINC000036019479 554138506 /nfs/dbraw/zinc/13/85/06/554138506.db2.gz HKPZCQRIJBRKOR-UHFFFAOYSA-N 0 0 532.685 4.803 50 0 KJAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)[C@@H](CC)c3ccccc3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019486 554138463 /nfs/dbraw/zinc/13/84/63/554138463.db2.gz LKRIOEKYBPVDDW-VWLOTQADSA-N 0 0 504.675 4.894 50 0 KJAARN CCC(=O)Nc1ccc(N2CCCN(C(=O)[C@H](CC)c3ccccc3)CC2)c(C(=O)N2CCCCC2)c1 ZINC000036019487 554138493 /nfs/dbraw/zinc/13/84/93/554138493.db2.gz LKRIOEKYBPVDDW-RUZDIDTESA-N 0 0 504.675 4.894 50 0 KJAARN CC[C@H](C(=O)N1CCCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000036019488 554138543 /nfs/dbraw/zinc/13/85/43/554138543.db2.gz OYYVWYBWPVIWPF-SANMLTNESA-N 0 0 516.686 4.894 50 0 KJAARN CC[C@@H](C(=O)N1CCCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCCCC2)CC1)c1ccccc1 ZINC000036019489 554138514 /nfs/dbraw/zinc/13/85/14/554138514.db2.gz OYYVWYBWPVIWPF-AREMUKBSSA-N 0 0 516.686 4.894 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019495 554138503 /nfs/dbraw/zinc/13/85/03/554138503.db2.gz CGGVBUBJDNSZGV-UHFFFAOYSA-N 0 0 531.632 4.638 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019497 554138551 /nfs/dbraw/zinc/13/85/51/554138551.db2.gz FQNMAQWQGDAUNU-UHFFFAOYSA-N 0 0 523.653 4.515 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)C4CC4)cc3C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000036019510 554138789 /nfs/dbraw/zinc/13/87/89/554138789.db2.gz LIXXEALWUBHZPY-UHFFFAOYSA-N 0 0 529.616 4.767 50 0 KJAARN CCC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019512 554138813 /nfs/dbraw/zinc/13/88/13/554138813.db2.gz FRYHXMWKHMZCDR-UHFFFAOYSA-N 0 0 517.605 4.767 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)C4CC4)cc3C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000036019513 554138800 /nfs/dbraw/zinc/13/88/00/554138800.db2.gz GXXAZNPINRCNBM-UHFFFAOYSA-N 0 0 529.616 4.767 50 0 KJAARN CCC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019514 554138841 /nfs/dbraw/zinc/13/88/41/554138841.db2.gz LCWKKQGDYSBIGG-UHFFFAOYSA-N 0 0 521.568 4.597 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019515 554138791 /nfs/dbraw/zinc/13/87/91/554138791.db2.gz WOZUGRIHUYCHEQ-UHFFFAOYSA-N 0 0 523.653 4.515 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019516 554138828 /nfs/dbraw/zinc/13/88/28/554138828.db2.gz FHBKSJKGJHRUIY-UHFFFAOYSA-N 0 0 537.680 4.905 50 0 KJAARN CC(C)(C)NC(=O)N1CCCN(c2ccc(NC(=O)C3CCC3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019521 554138810 /nfs/dbraw/zinc/13/88/10/554138810.db2.gz CSGYCLQAZPLFSZ-UHFFFAOYSA-N 0 0 523.653 4.515 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCCN(C(=O)NC(C)(C)C)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019522 554138819 /nfs/dbraw/zinc/13/88/19/554138819.db2.gz ROYNVDQMJZMRSE-UHFFFAOYSA-N 0 0 525.669 4.761 50 0 KJAARN CC(C)(C)NC(=O)N1CCCN(c2ccc(NC(=O)C3CCCC3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019525 554138831 /nfs/dbraw/zinc/13/88/31/554138831.db2.gz OQFFFEURTZAKJW-UHFFFAOYSA-N 0 0 537.680 4.905 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)NC3CCCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019531 554138843 /nfs/dbraw/zinc/13/88/43/554138843.db2.gz MEWPPWAUUXXNIJ-UHFFFAOYSA-N 0 0 537.680 4.905 50 0 KJAARN 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COc1ccc(CCN(C)c2cc(C)nc(SCc3ccc(C(=O)NCC4CC4)cc3)n2)cc1OC ZINC000036026103 554140863 /nfs/dbraw/zinc/14/08/63/554140863.db2.gz MUVXNSDSNZJLSO-UHFFFAOYSA-N 0 0 506.672 4.913 50 0 KJAARN CC[C@@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027390 554140665 /nfs/dbraw/zinc/14/06/65/554140665.db2.gz BGHLYLFBAQVAMH-JPYJTQIMSA-N 0 0 524.514 4.563 50 0 KJAARN CC[C@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027391 554140740 /nfs/dbraw/zinc/14/07/40/554140740.db2.gz BGHLYLFBAQVAMH-MBSDFSHPSA-N 0 0 524.514 4.563 50 0 KJAARN CC[C@@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027392 554140763 /nfs/dbraw/zinc/14/07/63/554140763.db2.gz BGHLYLFBAQVAMH-WZONZLPQSA-N 0 0 524.514 4.563 50 0 KJAARN CC[C@H](C)CN1C(=O)[C@@H](Cc2ccccc2)NC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027393 554140694 /nfs/dbraw/zinc/14/06/94/554140694.db2.gz BGHLYLFBAQVAMH-FDDCHVKYSA-N 0 0 524.514 4.563 50 0 KJAARN 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COc1cccc(C(=O)N2CCC3(CC2)N[C@@H](CC(C)C)C(=O)N3Cc2cccc(C(F)(F)F)c2)c1 ZINC000036032543 554146054 /nfs/dbraw/zinc/14/60/54/554146054.db2.gz PGUWQRGYHLKCRV-QHCPKHFHSA-N 0 0 503.565 4.693 50 0 KJAARN COc1ccccc1NC(=O)[C@]12C(=O)Oc3ccccc3[C@H]1[C@]2(C)C(=O)c1ccc(Br)cc1 ZINC000036037822 554146507 /nfs/dbraw/zinc/14/65/07/554146507.db2.gz LBNPGPOZWDHUNJ-BYXVTNLJSA-N 0 0 506.352 4.988 50 0 KJAARN CCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NCC3CC3)c2)n1 ZINC000036038506 554146429 /nfs/dbraw/zinc/14/64/29/554146429.db2.gz HOLAMAHCFBGGQF-UHFFFAOYSA-N 0 0 505.663 4.937 50 0 KJAARN CCc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2cccc(C(=O)NCCOC)c2)n1 ZINC000036038562 554146872 /nfs/dbraw/zinc/14/68/72/554146872.db2.gz QVTMSVHMPIKTGF-UHFFFAOYSA-N 0 0 526.106 4.688 50 0 KJAARN CC(=O)N1CCN(c2cc(-c3ccccc3)nc(SCc3cccc(C(=O)NCc4ccco4)c3)n2)CC1 ZINC000036038667 554146899 /nfs/dbraw/zinc/14/68/99/554146899.db2.gz YZXOUHZNAVIPEC-UHFFFAOYSA-N 0 0 527.650 4.627 50 0 KJAARN Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NCc3cccnc3)c2)n1 ZINC000036038717 554146835 /nfs/dbraw/zinc/14/68/35/554146835.db2.gz ISGFQVVWGWBHQB-UHFFFAOYSA-N 0 0 528.657 4.868 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(N(CC)CC)cc(C(F)(F)F)n3)o2)C1 ZINC000036038757 554147085 /nfs/dbraw/zinc/14/70/85/554147085.db2.gz WOORNOPTRYVDDO-HNNXBMFYSA-N 0 0 514.570 4.642 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(N(CC)CC)cc(C(F)(F)F)n3)o2)C1 ZINC000036038758 554147121 /nfs/dbraw/zinc/14/71/21/554147121.db2.gz WOORNOPTRYVDDO-OAHLLOKOSA-N 0 0 514.570 4.642 50 0 KJAARN CCCN(C)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)o2)n1 ZINC000036038810 554147156 /nfs/dbraw/zinc/14/71/56/554147156.db2.gz STXOMWVJVKEAQU-UHFFFAOYSA-N 0 0 514.570 4.642 50 0 KJAARN CCCN(C)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)N3CCC[C@H](C(=O)OCC)C3)o2)n1 ZINC000036038812 554147164 /nfs/dbraw/zinc/14/71/64/554147164.db2.gz GTIHPZWQNBFUMI-HNNXBMFYSA-N 0 0 514.570 4.642 50 0 KJAARN CCCN(C)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)N3CCC[C@@H](C(=O)OCC)C3)o2)n1 ZINC000036038813 554147099 /nfs/dbraw/zinc/14/70/99/554147099.db2.gz GTIHPZWQNBFUMI-OAHLLOKOSA-N 0 0 514.570 4.642 50 0 KJAARN Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)n1 ZINC000036038940 554147461 /nfs/dbraw/zinc/14/74/61/554147461.db2.gz FNFHCLLSYOPXOE-IBGZPJMESA-N 0 0 528.078 4.559 50 0 KJAARN Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)n1 ZINC000036038941 554147409 /nfs/dbraw/zinc/14/74/09/554147409.db2.gz FNFHCLLSYOPXOE-LJQANCHMSA-N 0 0 528.078 4.559 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=O)c1cccc(Cl)c1 ZINC000036039614 554147484 /nfs/dbraw/zinc/14/74/84/554147484.db2.gz AUGLQAULNLHREA-UHFFFAOYSA-N 0 0 518.079 4.764 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3)n2CC(C)C)c1 ZINC000036039660 554147420 /nfs/dbraw/zinc/14/74/20/554147420.db2.gz HBJFTCIIBMNPDG-SANMLTNESA-N 0 0 509.672 4.643 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)n2CC(C)C)c1 ZINC000036039661 554147448 /nfs/dbraw/zinc/14/74/48/554147448.db2.gz HBJFTCIIBMNPDG-AREMUKBSSA-N 0 0 509.672 4.643 50 0 KJAARN Cc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3cccc(C)c3)n2CC(C)C)C[C@@H]2CCCO2)cc1 ZINC000036039662 554147399 /nfs/dbraw/zinc/14/73/99/554147399.db2.gz DMVSAXVBDRLETO-MHZLTWQESA-N 0 0 523.699 4.951 50 0 KJAARN Cc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3cccc(C)c3)n2CC(C)C)C[C@H]2CCCO2)cc1 ZINC000036039663 554147424 /nfs/dbraw/zinc/14/74/24/554147424.db2.gz DMVSAXVBDRLETO-HHHXNRCGSA-N 0 0 523.699 4.951 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@@H]3CCCO3)C(=O)CC(C)(C)C)n2CC(C)C)c1 ZINC000036039666 554147495 /nfs/dbraw/zinc/14/74/95/554147495.db2.gz UMWMFLWBPNIUKY-DEOSSOPVSA-N 0 0 503.709 4.765 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@H]3CCCO3)C(=O)CC(C)(C)C)n2CC(C)C)c1 ZINC000036039667 554147487 /nfs/dbraw/zinc/14/74/87/554147487.db2.gz UMWMFLWBPNIUKY-XMMPIXPASA-N 0 0 503.709 4.765 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@@H]3CCCO3)C(=O)C3CCCC3)n2CC(C)C)c1 ZINC000036039668 554147459 /nfs/dbraw/zinc/14/74/59/554147459.db2.gz CJFJUFOAAOXXGF-VWLOTQADSA-N 0 0 501.693 4.519 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@H]3CCCO3)C(=O)C3CCCC3)n2CC(C)C)c1 ZINC000036039669 554147492 /nfs/dbraw/zinc/14/74/92/554147492.db2.gz CJFJUFOAAOXXGF-RUZDIDTESA-N 0 0 501.693 4.519 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@@H]3CCCO3)C(=O)Cc3ccccc3)n2CC(C)C)c1 ZINC000036039670 554147467 /nfs/dbraw/zinc/14/74/67/554147467.db2.gz MZBGBEHMRAJCEC-MHZLTWQESA-N 0 0 523.699 4.572 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@H]3CCCO3)C(=O)Cc3ccccc3)n2CC(C)C)c1 ZINC000036039671 554147490 /nfs/dbraw/zinc/14/74/90/554147490.db2.gz MZBGBEHMRAJCEC-HHHXNRCGSA-N 0 0 523.699 4.572 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3C)n2CC(C)C)c1 ZINC000036039672 554147433 /nfs/dbraw/zinc/14/74/33/554147433.db2.gz RDOUJGFPAFOUCE-SANMLTNESA-N 0 0 523.699 4.951 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3C)n2CC(C)C)c1 ZINC000036039673 554147500 /nfs/dbraw/zinc/14/75/00/554147500.db2.gz RDOUJGFPAFOUCE-AREMUKBSSA-N 0 0 523.699 4.951 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C(=O)c1cccc(Cl)c1 ZINC000036039715 554147608 /nfs/dbraw/zinc/14/76/08/554147608.db2.gz VHNLQUWEVCOHGT-UHFFFAOYSA-N 0 0 518.079 4.764 50 0 KJAARN Cc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3C)n2CC(C)C)C[C@@H]2CCCO2)cc1 ZINC000036039789 554147617 /nfs/dbraw/zinc/14/76/17/554147617.db2.gz FYTXDLUSTQVTAD-MHZLTWQESA-N 0 0 523.699 4.951 50 0 KJAARN Cc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3C)n2CC(C)C)C[C@H]2CCCO2)cc1 ZINC000036039792 554147598 /nfs/dbraw/zinc/14/75/98/554147598.db2.gz FYTXDLUSTQVTAD-HHHXNRCGSA-N 0 0 523.699 4.951 50 0 KJAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)n1CC(C)C ZINC000036039799 554147603 /nfs/dbraw/zinc/14/76/03/554147603.db2.gz PTYQDPUNJVPQEP-DEOSSOPVSA-N 0 0 503.709 4.765 50 0 KJAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)n1CC(C)C ZINC000036039800 554147622 /nfs/dbraw/zinc/14/76/22/554147622.db2.gz PTYQDPUNJVPQEP-XMMPIXPASA-N 0 0 503.709 4.765 50 0 KJAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C[C@@H]2CCCO2)C(=O)C2CCCC2)n1CC(C)C ZINC000036039802 554147577 /nfs/dbraw/zinc/14/75/77/554147577.db2.gz HEWLKIQQVBNGLB-VWLOTQADSA-N 0 0 501.693 4.519 50 0 KJAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C[C@H]2CCCO2)C(=O)C2CCCC2)n1CC(C)C ZINC000036039805 554147591 /nfs/dbraw/zinc/14/75/91/554147591.db2.gz HEWLKIQQVBNGLB-RUZDIDTESA-N 0 0 501.693 4.519 50 0 KJAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2)n1CC(C)C ZINC000036039808 554147557 /nfs/dbraw/zinc/14/75/57/554147557.db2.gz ZCTSNMDBFKCSQL-MHZLTWQESA-N 0 0 523.699 4.572 50 0 KJAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)n1CC(C)C ZINC000036039810 554147581 /nfs/dbraw/zinc/14/75/81/554147581.db2.gz ZCTSNMDBFKCSQL-HHHXNRCGSA-N 0 0 523.699 4.572 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3C)n2CC(C)C)CC2CC2)cc1 ZINC000036039816 554147612 /nfs/dbraw/zinc/14/76/12/554147612.db2.gz WJJWOVSJUSXVEO-UHFFFAOYSA-N 0 0 509.672 4.882 50 0 KJAARN COCCn1c(CN(CC(C)C)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039851 554147600 /nfs/dbraw/zinc/14/76/00/554147600.db2.gz KNLHUJNLRPARSD-UHFFFAOYSA-N 0 0 522.042 4.594 50 0 KJAARN COCCn1c(CN(Cc2ccco2)C(=O)CC(C)(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039917 554147889 /nfs/dbraw/zinc/14/78/89/554147889.db2.gz MJDRTHLIGUGJJC-UHFFFAOYSA-N 0 0 522.067 4.715 50 0 KJAARN COCCn1c(CN(C(=O)c2ccccc2C)C(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039930 554147873 /nfs/dbraw/zinc/14/78/73/554147873.db2.gz BLCPPIQLBVFRFU-UHFFFAOYSA-N 0 0 504.052 4.516 50 0 KJAARN COCCn1c(CN(C(=O)c2cccc(Cl)c2)C(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039931 554147787 /nfs/dbraw/zinc/14/77/87/554147787.db2.gz QFYUZFWWOPCBHF-UHFFFAOYSA-N 0 0 524.470 4.861 50 0 KJAARN CC(C)C(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1 ZINC000036039963 554147887 /nfs/dbraw/zinc/14/78/87/554147887.db2.gz VKSUTKQDZIBJMV-UHFFFAOYSA-N 0 0 509.603 4.822 50 0 KJAARN O=C(C1CC1)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1 ZINC000036039965 554147826 /nfs/dbraw/zinc/14/78/26/554147826.db2.gz OCXBTKZLZVVUBF-UHFFFAOYSA-N 0 0 507.587 4.576 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000036039981 554147856 /nfs/dbraw/zinc/14/78/56/554147856.db2.gz MBUUVIDQGNSESR-UHFFFAOYSA-N 0 0 505.615 4.636 50 0 KJAARN O=C(c1cccs1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C1CC1 ZINC000036039986 554148083 /nfs/dbraw/zinc/14/80/83/554148083.db2.gz NJQSZAMHUPNAAL-UHFFFAOYSA-N 0 0 509.628 4.911 50 0 KJAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C1CC1 ZINC000036039994 554148048 /nfs/dbraw/zinc/14/80/48/554148048.db2.gz NGJNZZXQULKTBR-UHFFFAOYSA-N 0 0 517.626 4.778 50 0 KJAARN CC(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036040005 554148045 /nfs/dbraw/zinc/14/80/45/554148045.db2.gz WERBGPXOXZLXRO-VWLOTQADSA-N 0 0 527.662 4.598 50 0 KJAARN CC(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000036040006 554148055 /nfs/dbraw/zinc/14/80/55/554148055.db2.gz WERBGPXOXZLXRO-RUZDIDTESA-N 0 0 527.662 4.598 50 0 KJAARN O=C(C1CCCC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)CC1CC1 ZINC000036040016 554148049 /nfs/dbraw/zinc/14/80/49/554148049.db2.gz KZXKVPGJWXDYRC-UHFFFAOYSA-N 0 0 509.647 4.973 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC000036040061 554148075 /nfs/dbraw/zinc/14/80/75/554148075.db2.gz SKFNZNMQJDTKTC-UHFFFAOYSA-N 0 0 509.578 4.846 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000036040069 554148086 /nfs/dbraw/zinc/14/80/86/554148086.db2.gz JWWYPPRIIABJFA-UHFFFAOYSA-N 0 0 521.614 4.715 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1ccccc1F ZINC000036040080 554148053 /nfs/dbraw/zinc/14/80/53/554148053.db2.gz KSSBKZYCMDPEGG-UHFFFAOYSA-N 0 0 509.578 4.846 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1cccc(F)c1 ZINC000036040082 554148069 /nfs/dbraw/zinc/14/80/69/554148069.db2.gz IRECNIMPGIRURS-UHFFFAOYSA-N 0 0 509.578 4.846 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000036040087 554148057 /nfs/dbraw/zinc/14/80/57/554148057.db2.gz GMFBVASZQSGXQR-UHFFFAOYSA-N 0 0 505.615 4.636 50 0 KJAARN O=C(c1cccs1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C1CC1 ZINC000036040092 554148436 /nfs/dbraw/zinc/14/84/36/554148436.db2.gz RNJWPWHCKIWXNZ-UHFFFAOYSA-N 0 0 509.628 4.911 50 0 KJAARN O=C(c1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C1CC1 ZINC000036040094 554148385 /nfs/dbraw/zinc/14/83/85/554148385.db2.gz KXZHRUFXWJPPHF-UHFFFAOYSA-N 0 0 503.599 4.849 50 0 KJAARN O=C(c1ccccc1F)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C1CC1 ZINC000036040098 554148320 /nfs/dbraw/zinc/14/83/20/554148320.db2.gz HSFLBFKWNHDOLI-UHFFFAOYSA-N 0 0 521.589 4.988 50 0 KJAARN O=C(c1cccc(F)c1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C1CC1 ZINC000036040100 554148348 /nfs/dbraw/zinc/14/83/48/554148348.db2.gz FAFTXPSXEVIMCW-UHFFFAOYSA-N 0 0 521.589 4.988 50 0 KJAARN CC(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036040106 554148362 /nfs/dbraw/zinc/14/83/62/554148362.db2.gz NULGWCNDBAZSKC-SANMLTNESA-N 0 0 527.662 4.598 50 0 KJAARN CC(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000036040109 554148330 /nfs/dbraw/zinc/14/83/30/554148330.db2.gz NULGWCNDBAZSKC-AREMUKBSSA-N 0 0 527.662 4.598 50 0 KJAARN O=C(C1CCCC1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)CC1CC1 ZINC000036040113 554148393 /nfs/dbraw/zinc/14/83/93/554148393.db2.gz UETOYWSIXQDYGX-UHFFFAOYSA-N 0 0 509.647 4.973 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1ccccc1C ZINC000036040159 554148368 /nfs/dbraw/zinc/14/83/68/554148368.db2.gz KAJXKKSUKYBDIE-UHFFFAOYSA-N 0 0 517.651 4.503 50 0 KJAARN 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O=C(c1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000036040238 554148722 /nfs/dbraw/zinc/14/87/22/554148722.db2.gz SJTOQFQEGHHMAW-MUUNZHRXSA-N 0 0 529.662 4.727 50 0 KJAARN CC(C)(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036040244 554148730 /nfs/dbraw/zinc/14/87/30/554148730.db2.gz POFVKLFLCWBOJZ-SANMLTNESA-N 0 0 523.699 4.849 50 0 KJAARN CC(C)(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000036040245 554148711 /nfs/dbraw/zinc/14/87/11/554148711.db2.gz POFVKLFLCWBOJZ-AREMUKBSSA-N 0 0 523.699 4.849 50 0 KJAARN O=C(C1CCCC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036040247 554148725 /nfs/dbraw/zinc/14/87/25/554148725.db2.gz DLIAQQQTBWXRMJ-MHZLTWQESA-N 0 0 521.683 4.603 50 0 KJAARN O=C(C1CCCC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000036040248 554148732 /nfs/dbraw/zinc/14/87/32/554148732.db2.gz DLIAQQQTBWXRMJ-HHHXNRCGSA-N 0 0 521.683 4.603 50 0 KJAARN 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554150775 /nfs/dbraw/zinc/15/07/75/554150775.db2.gz KSSQHDCLEHMSAJ-UIOOFZCWSA-N 0 0 518.057 4.862 50 0 KJAARN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000036041890 554150709 /nfs/dbraw/zinc/15/07/09/554150709.db2.gz HLRRJWNAVGMGPN-KAYWLYCHSA-N 0 0 518.057 4.862 50 0 KJAARN COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000036041891 554150705 /nfs/dbraw/zinc/15/07/05/554150705.db2.gz HLRRJWNAVGMGPN-SXOMAYOGSA-N 0 0 518.057 4.862 50 0 KJAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000036041892 554150713 /nfs/dbraw/zinc/15/07/13/554150713.db2.gz HLRRJWNAVGMGPN-RRPNLBNLSA-N 0 0 518.057 4.862 50 0 KJAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000036041893 554150852 /nfs/dbraw/zinc/15/08/52/554150852.db2.gz HLRRJWNAVGMGPN-SVBPBHIXSA-N 0 0 518.057 4.862 50 0 KJAARN Cc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036042014 554150725 /nfs/dbraw/zinc/15/07/25/554150725.db2.gz KZXZIEZYHMTZFS-DHIUTWEWSA-N 0 0 510.512 4.915 50 0 KJAARN Cc1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000036042015 554150733 /nfs/dbraw/zinc/15/07/33/554150733.db2.gz KZXZIEZYHMTZFS-XZOQPEGZSA-N 0 0 510.512 4.915 50 0 KJAARN Cc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036042016 554150771 /nfs/dbraw/zinc/15/07/71/554150771.db2.gz KZXZIEZYHMTZFS-PKTZIBPZSA-N 0 0 510.512 4.915 50 0 KJAARN Cc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036042017 554150812 /nfs/dbraw/zinc/15/08/12/554150812.db2.gz KZXZIEZYHMTZFS-GOTSBHOMSA-N 0 0 510.512 4.915 50 0 KJAARN Cc1ccccc1C(=O)N1C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036042026 554150747 /nfs/dbraw/zinc/15/07/47/554150747.db2.gz LRNWTDJGMHBTRA-DHIUTWEWSA-N 0 0 510.512 4.915 50 0 KJAARN Cc1ccccc1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 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ZINC000036042537 554151091 /nfs/dbraw/zinc/15/10/91/554151091.db2.gz NHTNKPUGRWLCQO-HHHXNRCGSA-N 0 0 524.621 5.198 50 0 KJAARN CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)c2ccccc2F)c1 ZINC000036042546 554151033 /nfs/dbraw/zinc/15/10/33/554151033.db2.gz GOJVFAAZEJTUTB-UHFFFAOYSA-N 0 0 512.585 5.568 50 0 KJAARN CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(Cc2ccco2)C(=O)NC(C)(C)C)c1 ZINC000036042565 554151256 /nfs/dbraw/zinc/15/12/56/554151256.db2.gz IWJYZIHFUVLZNA-UHFFFAOYSA-N 0 0 515.614 5.480 50 0 KJAARN COCCn1c(CN(CC(C)C)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000036042590 554151327 /nfs/dbraw/zinc/15/13/27/554151327.db2.gz FGBSBHWYFCXJKI-UHFFFAOYSA-N 0 0 518.079 4.764 50 0 KJAARN COCCn1c(CN(C(=O)c2cccc(Cl)c2)C(C)C)cnc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000036042596 554151283 /nfs/dbraw/zinc/15/12/83/554151283.db2.gz BCFCJCUUJVDMQW-UHFFFAOYSA-N 0 0 504.052 4.516 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccc(F)cc3)n2C(C)C)CC(C)C)cc1 ZINC000036042644 554151323 /nfs/dbraw/zinc/15/13/23/554151323.db2.gz YYIBAVICXYDENI-UHFFFAOYSA-N 0 0 501.624 4.884 50 0 KJAARN COc1cccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccc(F)cc3)n2C(C)C)CC(C)C)c1 ZINC000036042650 554151347 /nfs/dbraw/zinc/15/13/47/554151347.db2.gz FSNOEEVRROMPCW-UHFFFAOYSA-N 0 0 501.624 4.884 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000036042651 554151259 /nfs/dbraw/zinc/15/12/59/554151259.db2.gz NJOMXYRYFRQGGU-UHFFFAOYSA-N 0 0 515.607 4.604 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(=O)c1cccc(Cl)c1 ZINC000036042657 554151313 /nfs/dbraw/zinc/15/13/13/554151313.db2.gz LAJRCVVGCVGVCL-UHFFFAOYSA-N 0 0 508.015 4.519 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C(=O)c1ccc(C)cc1 ZINC000036042723 554151247 /nfs/dbraw/zinc/15/12/47/554151247.db2.gz CZPPYVJMWICCNJ-UHFFFAOYSA-N 0 0 504.052 4.689 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C(=O)c1ccccc1C ZINC000036042727 554151594 /nfs/dbraw/zinc/15/15/94/554151594.db2.gz 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COc1cc([C@H]2CN(C(=O)c3ccc(Cl)cc3Cl)C[C@H]2C(=O)N2CCCCC2)cc(OC)c1OC ZINC000036044524 554152465 /nfs/dbraw/zinc/15/24/65/554152465.db2.gz QVRNINJQGGBMMS-WOJBJXKFSA-N 0 0 521.441 4.888 50 0 KJAARN COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(Cc3ccco3)C(=O)c3cccs3)n2)cc1 ZINC000036044758 554152753 /nfs/dbraw/zinc/15/27/53/554152753.db2.gz AMBUWASBNWOQDX-UHFFFAOYSA-N 0 0 512.591 5.484 50 0 KJAARN COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(Cc3ccco3)C(=O)c3ccccc3)n2)cc1 ZINC000036044760 554152810 /nfs/dbraw/zinc/15/28/10/554152810.db2.gz WRVJLCGJJNDQNS-UHFFFAOYSA-N 0 0 506.562 5.422 50 0 KJAARN COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(Cc3ccco3)C(=O)c3ccccc3F)n2)cc1 ZINC000036044763 554152740 /nfs/dbraw/zinc/15/27/40/554152740.db2.gz DIRIKZMXOPSQDW-UHFFFAOYSA-N 0 0 524.552 5.561 50 0 KJAARN COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(C[C@@H]3CCCO3)C(=O)c3ccccc3C)n2)cc1 ZINC000036044791 554152764 /nfs/dbraw/zinc/15/27/64/554152764.db2.gz WBTRXIFJJBKWIK-SANMLTNESA-N 0 0 524.621 5.116 50 0 KJAARN COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(C[C@H]3CCCO3)C(=O)c3ccccc3C)n2)cc1 ZINC000036044792 554152782 /nfs/dbraw/zinc/15/27/82/554152782.db2.gz WBTRXIFJJBKWIK-AREMUKBSSA-N 0 0 524.621 5.116 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccs1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1 ZINC000036044858 554152920 /nfs/dbraw/zinc/15/29/20/554152920.db2.gz WHFKXGPPSYHMMH-QFIPXVFZSA-N 0 0 504.587 5.000 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccs1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1 ZINC000036044859 554152988 /nfs/dbraw/zinc/15/29/88/554152988.db2.gz WHFKXGPPSYHMMH-JOCHJYFZSA-N 0 0 504.587 5.000 50 0 KJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2C)cc1 ZINC000036044992 554152955 /nfs/dbraw/zinc/15/29/55/554152955.db2.gz GPKHLSKUYBGERI-SANMLTNESA-N 0 0 508.622 5.416 50 0 KJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2C)cc1 ZINC000036044993 554152910 /nfs/dbraw/zinc/15/29/10/554152910.db2.gz GPKHLSKUYBGERI-AREMUKBSSA-N 0 0 508.622 5.416 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)c(C)c1)C(=O)C1CCCC1 ZINC000036045032 554153000 /nfs/dbraw/zinc/15/30/00/554153000.db2.gz NZOKJNMEFUMCCQ-UHFFFAOYSA-N 0 0 509.050 5.413 50 0 KJAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)C)cc1C ZINC000036045118 554153241 /nfs/dbraw/zinc/15/32/41/554153241.db2.gz UMBZBAOMXMWWOT-DEOSSOPVSA-N 0 0 524.065 5.347 50 0 KJAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)C)cc1C ZINC000036045119 554153257 /nfs/dbraw/zinc/15/32/57/554153257.db2.gz UMBZBAOMXMWWOT-XMMPIXPASA-N 0 0 524.065 5.347 50 0 KJAARN COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(C(C)C)S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000036045124 554153189 /nfs/dbraw/zinc/15/31/89/554153189.db2.gz XWNWDPPZMVFINO-UHFFFAOYSA-N 0 0 518.639 4.894 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(F)cc2)C(C)C)cc1 ZINC000036045127 554153238 /nfs/dbraw/zinc/15/32/38/554153238.db2.gz FZSSIMXLTSNFAW-UHFFFAOYSA-N 0 0 522.602 4.725 50 0 KJAARN 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COc1cccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C[C@@H]2CCCO2)c1 ZINC000036046096 554153540 /nfs/dbraw/zinc/15/35/40/554153540.db2.gz PEWYAUCHGJCRRT-SANMLTNESA-N 0 0 510.594 4.808 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C[C@H]2CCCO2)c1 ZINC000036046097 554153447 /nfs/dbraw/zinc/15/34/47/554153447.db2.gz PEWYAUCHGJCRRT-AREMUKBSSA-N 0 0 510.594 4.808 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)c1cccs1 ZINC000036046135 554153594 /nfs/dbraw/zinc/15/35/94/554153594.db2.gz OPHHOLYTLCAJLB-UHFFFAOYSA-N 0 0 502.640 5.452 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C(C)C)cc1 ZINC000036048146 554154203 /nfs/dbraw/zinc/15/42/03/554154203.db2.gz SYHGYUYGIQDGHL-UHFFFAOYSA-N 0 0 504.612 4.586 50 0 KJAARN O=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cn1-c1ccccc1 ZINC000036048149 554154199 /nfs/dbraw/zinc/15/41/99/554154199.db2.gz WBYZPZABUBNOBM-UHFFFAOYSA-N 0 0 507.015 4.985 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)CC2CC2)cc1 ZINC000036048151 554154186 /nfs/dbraw/zinc/15/41/86/554154186.db2.gz HQSGMHYEVNBLFE-UHFFFAOYSA-N 0 0 500.624 4.887 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)CC2CC2)cc1 ZINC000036048152 554154141 /nfs/dbraw/zinc/15/41/41/554154141.db2.gz LRZPVQDTFQFNGB-UHFFFAOYSA-N 0 0 516.623 4.587 50 0 KJAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)c2ccc(OC)cc2)cc1 ZINC000036048421 554154241 /nfs/dbraw/zinc/15/42/41/554154241.db2.gz YNBRWZYMECZTJK-VWLOTQADSA-N 0 0 519.598 4.672 50 0 KJAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)c2ccc(OC)cc2)cc1 ZINC000036048422 554154133 /nfs/dbraw/zinc/15/41/33/554154133.db2.gz YNBRWZYMECZTJK-RUZDIDTESA-N 0 0 519.598 4.672 50 0 KJAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)Cc2ccccc2)cc1 ZINC000036048431 554154109 /nfs/dbraw/zinc/15/41/09/554154109.db2.gz XNSDMNISCKHHTN-VWLOTQADSA-N 0 0 503.599 4.593 50 0 KJAARN CCOc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)Cc2ccccc2)cc1 ZINC000036048433 554154190 /nfs/dbraw/zinc/15/41/90/554154190.db2.gz XNSDMNISCKHHTN-RUZDIDTESA-N 0 0 503.599 4.593 50 0 KJAARN COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC000036048465 554154231 /nfs/dbraw/zinc/15/42/31/554154231.db2.gz QMEMKGRRRUTXFC-QFIPXVFZSA-N 0 0 509.990 4.927 50 0 KJAARN COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC000036048466 554154611 /nfs/dbraw/zinc/15/46/11/554154611.db2.gz QMEMKGRRRUTXFC-JOCHJYFZSA-N 0 0 509.990 4.927 50 0 KJAARN COc1ccc(-n2cc(-c3cccc(OC)c3)nc2NC(=O)CN(CC(C)C)C(=O)c2ccccc2)cc1 ZINC000036049220 554154457 /nfs/dbraw/zinc/15/44/57/554154457.db2.gz ZGJWUQFXEHRBER-UHFFFAOYSA-N 0 0 512.610 5.293 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)C(=O)c1ccccc1C ZINC000036049235 554154460 /nfs/dbraw/zinc/15/44/60/554154460.db2.gz ZYWFHCBRDSUUNT-UHFFFAOYSA-N 0 0 528.609 4.592 50 0 KJAARN COc1ccc(-n2cc(-c3cccc(OC)c3)nc2NC(=O)CN(C(=O)Cc2ccccc2)C(C)C)cc1 ZINC000036049247 554154497 /nfs/dbraw/zinc/15/44/97/554154497.db2.gz XMKHCHBELWTGOP-UHFFFAOYSA-N 0 0 512.610 4.975 50 0 KJAARN COc1ccc(-n2cc(-c3cccc(OC)c3)nc2NC(=O)CN(CC2CC2)C(=O)c2ccco2)cc1 ZINC000036049251 554154859 /nfs/dbraw/zinc/15/48/59/554154859.db2.gz PUYCYUUBXFWTFL-UHFFFAOYSA-N 0 0 500.555 4.640 50 0 KJAARN COc1ccc(-n2cc(-c3cccc(OC)c3)nc2NC(=O)CN(CC2CC2)C(=O)C2CCCC2)cc1 ZINC000036049260 554154776 /nfs/dbraw/zinc/15/47/76/554154776.db2.gz RBDLSJNHMILNBR-UHFFFAOYSA-N 0 0 502.615 4.924 50 0 KJAARN COc1ccc(-n2cc(-c3cccc(OC)c3)nc2NC(=O)CN(CC2CC2)C(=O)Cc2ccccc2)cc1 ZINC000036049261 554154855 /nfs/dbraw/zinc/15/48/55/554154855.db2.gz SKHYSDMLXYYRHG-UHFFFAOYSA-N 0 0 524.621 4.976 50 0 KJAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC(C)C)C(=O)c2ccco2)cc1OC ZINC000036049273 554154768 /nfs/dbraw/zinc/15/47/68/554154768.db2.gz RHBKVCHNCGZQBL-UHFFFAOYSA-N 0 0 502.571 4.886 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1 ZINC000036049290 554154797 /nfs/dbraw/zinc/15/47/97/554154797.db2.gz QHXFGDHRYCCCSR-UHFFFAOYSA-N 0 0 528.609 4.592 50 0 KJAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)C(C)C)cc1OC ZINC000036049296 554154747 /nfs/dbraw/zinc/15/47/47/554154747.db2.gz FWOCOJAEJSJMKQ-UHFFFAOYSA-N 0 0 512.610 5.180 50 0 KJAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)Cc2ccccc2)C(C)C)cc1OC ZINC000036049310 554155199 /nfs/dbraw/zinc/15/51/99/554155199.db2.gz HIOWXCXZBRSUNY-UHFFFAOYSA-N 0 0 512.610 4.975 50 0 KJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1 ZINC000036049315 554155203 /nfs/dbraw/zinc/15/52/03/554155203.db2.gz YTCOPHIJRJMWIY-UHFFFAOYSA-N 0 0 514.582 4.666 50 0 KJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C(=O)c1cccc(OC)c1 ZINC000036049324 554155173 /nfs/dbraw/zinc/15/51/73/554155173.db2.gz ROKALMUSWLLHBA-UHFFFAOYSA-N 0 0 514.582 4.666 50 0 KJAARN 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COCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)cc1)C(=O)c1cccc(OC)c1 ZINC000036051135 554156500 /nfs/dbraw/zinc/15/65/00/554156500.db2.gz PXOKGIIJFNSEOD-UHFFFAOYSA-N 0 0 528.609 4.592 50 0 KJAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C[C@@H]3CCCO3)C(=O)CC(C)C)n2)cc1 ZINC000036051178 554156530 /nfs/dbraw/zinc/15/65/30/554156530.db2.gz BBRFVYNLEBAMQE-VWLOTQADSA-N 0 0 504.631 4.849 50 0 KJAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C[C@H]3CCCO3)C(=O)CC(C)C)n2)cc1 ZINC000036051179 554156557 /nfs/dbraw/zinc/15/65/57/554156557.db2.gz BBRFVYNLEBAMQE-RUZDIDTESA-N 0 0 504.631 4.849 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)c1cccc(OC)c1 ZINC000036051228 554156547 /nfs/dbraw/zinc/15/65/47/554156547.db2.gz XJPKUBYTVARGLX-UHFFFAOYSA-N 0 0 512.610 4.892 50 0 KJAARN Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)c3ccc4c(c3)OCO4)C3CC3)n2)cc1 ZINC000036051325 554156824 /nfs/dbraw/zinc/15/68/24/554156824.db2.gz QMHHGTFEZPFMEB-UHFFFAOYSA-N 0 0 508.578 5.128 50 0 KJAARN Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C[C@@H]3CCCO3)C(=O)c3ccc(F)cc3)n2)cc1 ZINC000036051328 554156866 /nfs/dbraw/zinc/15/68/66/554156866.db2.gz MWQQPCSKFLBMLU-MHZLTWQESA-N 0 0 526.612 5.555 50 0 KJAARN Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C[C@H]3CCCO3)C(=O)c3ccc(F)cc3)n2)cc1 ZINC000036051329 554156829 /nfs/dbraw/zinc/15/68/29/554156829.db2.gz MWQQPCSKFLBMLU-HHHXNRCGSA-N 0 0 526.612 5.555 50 0 KJAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(Cc3ccco3)C(=O)NC(C)(C)C)n2)cc1 ZINC000036051477 554157087 /nfs/dbraw/zinc/15/70/87/554157087.db2.gz NELHXYUSEOTNHJ-UHFFFAOYSA-N 0 0 515.614 5.398 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(=O)c1ccc(OC)cc1 ZINC000036051571 554157313 /nfs/dbraw/zinc/15/73/13/554157313.db2.gz APNMCKVDONMLPX-UHFFFAOYSA-N 0 0 516.573 4.723 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(=O)c1ccccc1F ZINC000036051576 554157206 /nfs/dbraw/zinc/15/72/06/554157206.db2.gz RGGSJMGNICHRCJ-UHFFFAOYSA-N 0 0 504.537 4.853 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(=O)Cc1ccccc1 ZINC000036051579 554157220 /nfs/dbraw/zinc/15/72/20/554157220.db2.gz HZJIJNUSSTWHMD-UHFFFAOYSA-N 0 0 500.574 4.643 50 0 KJAARN COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CN(CC(C)C)C(=O)c3ccc(F)cc3)n2)cc1 ZINC000036051876 554157309 /nfs/dbraw/zinc/15/73/09/554157309.db2.gz GKQXSXDNARVXRA-UHFFFAOYSA-N 0 0 518.564 5.563 50 0 KJAARN COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CN(CC(C)C)C(=O)Cc3ccccc3)n2)cc1 ZINC000036051880 554157261 /nfs/dbraw/zinc/15/72/61/554157261.db2.gz SPIKNQFCGCEHJC-UHFFFAOYSA-N 0 0 514.601 5.353 50 0 KJAARN COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CN(Cc3ccccc3)C(=O)C(C)C)n2)cc1 ZINC000036051892 554157292 /nfs/dbraw/zinc/15/72/92/554157292.db2.gz XCSMBRNGXWJUQN-UHFFFAOYSA-N 0 0 500.574 5.310 50 0 KJAARN COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CN(C(=O)c3ccc(F)cc3)C(C)C)n2)cc1 ZINC000036051893 554157234 /nfs/dbraw/zinc/15/72/34/554157234.db2.gz HKQHRCICNRQLHD-UHFFFAOYSA-N 0 0 504.537 5.315 50 0 KJAARN 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Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1 ZINC000036070015 554166868 /nfs/dbraw/zinc/16/68/68/554166868.db2.gz QIGXSICLHXPSMP-UHFFFAOYSA-N 0 0 527.600 4.565 50 0 KJAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)c4ccccc4F)CC3)nn2)cc1 ZINC000036070038 554166881 /nfs/dbraw/zinc/16/68/81/554166881.db2.gz CFTYJSBZBCEGEU-UHFFFAOYSA-N 0 0 527.600 4.565 50 0 KJAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)c4cccc(F)c4)CC3)nn2)cc1 ZINC000036070041 554166878 /nfs/dbraw/zinc/16/68/78/554166878.db2.gz UAESAMDEVNFGFV-UHFFFAOYSA-N 0 0 527.600 4.565 50 0 KJAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccccc4)C(=O)c4cccs4)CC3)nn2)cc1 ZINC000036070053 554166935 /nfs/dbraw/zinc/16/69/35/554166935.db2.gz FVIXYGBJBGUECV-UHFFFAOYSA-N 0 0 525.678 4.895 50 0 KJAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)NC(C)(C)C)[C@@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000036070373 554167122 /nfs/dbraw/zinc/16/71/22/554167122.db2.gz OPUAUMAKVGYHJR-QHCPKHFHSA-N 0 0 514.674 4.672 50 0 KJAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)NC(C)(C)C)[C@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000036070375 554167137 /nfs/dbraw/zinc/16/71/37/554167137.db2.gz OPUAUMAKVGYHJR-HSZRJFAPSA-N 0 0 514.674 4.672 50 0 KJAARN O=C(c1cccc(Nc2c(Oc3cccc(Cl)c3)cnn(-c3ccccc3)c2=O)c1)N1CCOCC1 ZINC000036070560 554167334 /nfs/dbraw/zinc/16/73/34/554167334.db2.gz HFISDPCKSJTEAT-UHFFFAOYSA-N 0 0 502.958 4.894 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)N1C[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036070719 554167354 /nfs/dbraw/zinc/16/73/54/554167354.db2.gz OIKUGGXGEMBGFO-DNQXCXABSA-N 0 0 522.523 4.875 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)N1C[C@H](C(=O)N2CCc3ccccc3C2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036070721 554167322 /nfs/dbraw/zinc/16/73/22/554167322.db2.gz OIKUGGXGEMBGFO-RPWUZVMVSA-N 0 0 522.523 4.875 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000036070723 554167552 /nfs/dbraw/zinc/16/75/52/554167552.db2.gz OIKUGGXGEMBGFO-BJKOFHAPSA-N 0 0 522.523 4.875 50 0 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C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCCN2CCOCC2)co1)Cc1ccc(Cl)c(Cl)c1 ZINC000036083081 554175011 /nfs/dbraw/zinc/17/50/11/554175011.db2.gz XQDLRJYERFYGGI-IBGZPJMESA-N 0 0 517.457 4.807 50 0 KJAARN C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCCN2CCOCC2)co1)Cc1ccc(Cl)c(Cl)c1 ZINC000036083082 554174961 /nfs/dbraw/zinc/17/49/61/554174961.db2.gz XQDLRJYERFYGGI-LJQANCHMSA-N 0 0 517.457 4.807 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036083206 554174943 /nfs/dbraw/zinc/17/49/43/554174943.db2.gz YQUPFFRLDIBHGG-HXUWFJFHSA-N 0 0 524.040 4.916 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036083207 554175222 /nfs/dbraw/zinc/17/52/22/554175222.db2.gz YQUPFFRLDIBHGG-FQEVSTJZSA-N 0 0 524.040 4.916 50 0 KJAARN O=C(CN(CC1CC1)C(=O)c1ccc(Cl)cc1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000036083257 554175153 /nfs/dbraw/zinc/17/51/53/554175153.db2.gz WPBWHPBTAVEBRK-UHFFFAOYSA-N 0 0 522.024 4.527 50 0 KJAARN 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O=C(CN(Cc1ccccc1)C(=O)C1CC1)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC000036084877 554175669 /nfs/dbraw/zinc/17/56/69/554175669.db2.gz KNCGFIWUXTXSRZ-UHFFFAOYSA-N 0 0 531.660 4.898 50 0 KJAARN CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)c1ccco1 ZINC000036084879 554175968 /nfs/dbraw/zinc/17/59/68/554175968.db2.gz JQJDGBMMZKULLQ-UHFFFAOYSA-N 0 0 509.610 4.605 50 0 KJAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)c1ccco1 ZINC000036084889 554175960 /nfs/dbraw/zinc/17/59/60/554175960.db2.gz YJKJUNOVWOXIGV-UHFFFAOYSA-N 0 0 523.637 4.995 50 0 KJAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)C1CCC1 ZINC000036084892 554175958 /nfs/dbraw/zinc/17/59/58/554175958.db2.gz GJUQYXAUEYCYOG-UHFFFAOYSA-N 0 0 511.670 4.888 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000036089870 554177626 /nfs/dbraw/zinc/17/76/26/554177626.db2.gz PRWMFUOOXYTBFI-BUDOKORBSA-N 0 0 507.826 4.759 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000036089872 554177676 /nfs/dbraw/zinc/17/76/76/554177676.db2.gz PRWMFUOOXYTBFI-OBXYEHHASA-N 0 0 507.826 4.759 50 0 KJAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4Cl)c(=O)n32)cc1 ZINC000036089891 554177607 /nfs/dbraw/zinc/17/76/07/554177607.db2.gz CDVLUGDGVMRLFU-ZDQFFALBSA-N 0 0 516.022 4.536 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4Cl)c(=O)n32)cc1 ZINC000036089893 554177629 /nfs/dbraw/zinc/17/76/29/554177629.db2.gz CDVLUGDGVMRLFU-QKSFETHESA-N 0 0 516.022 4.536 50 0 KJAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)C(C)C ZINC000036094110 554177981 /nfs/dbraw/zinc/17/79/81/554177981.db2.gz QUHSGHAIVOPYOD-XMMPIXPASA-N 0 0 513.686 4.990 50 0 KJAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)C(C)C ZINC000036094111 554177973 /nfs/dbraw/zinc/17/79/73/554177973.db2.gz QUHSGHAIVOPYOD-DEOSSOPVSA-N 0 0 513.686 4.990 50 0 KJAARN 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CC(C)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)C1CC1 ZINC000036094132 554178262 /nfs/dbraw/zinc/17/82/62/554178262.db2.gz DBUTXAVIMGLVPP-UHFFFAOYSA-N 0 0 511.670 4.744 50 0 KJAARN CC(C)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)NC(C)C ZINC000036094140 554178270 /nfs/dbraw/zinc/17/82/70/554178270.db2.gz QXFLTYLRVZVTLJ-UHFFFAOYSA-N 0 0 528.701 4.925 50 0 KJAARN COCCNC(=O)c1ccc(Nc2c(Oc3cccc(C)c3C)cnn(-c3ccc(OC)cc3)c2=O)cc1 ZINC000036094155 554178213 /nfs/dbraw/zinc/17/82/13/554178213.db2.gz DFQZCSFMKNRLFS-UHFFFAOYSA-N 0 0 514.582 4.770 50 0 KJAARN COc1ccc(-n2ncc(Oc3cccc(C)c3C)c(Nc3ccc(C(=O)N4CCOCC4)cc3)c2=O)cc1 ZINC000036094159 554178197 /nfs/dbraw/zinc/17/81/97/554178197.db2.gz ZGLSRKUJUDVYIZ-UHFFFAOYSA-N 0 0 526.593 4.866 50 0 KJAARN COCCNC(=O)c1cccc(Nc2c(Oc3cccc(Cl)c3)cnn(-c3ccc(F)cc3)c2=O)c1 ZINC000036094161 554178203 /nfs/dbraw/zinc/17/82/03/554178203.db2.gz DVVQHEBWQUPQTN-UHFFFAOYSA-N 0 0 508.937 4.937 50 0 KJAARN O=C(NC[C@@H]1CCCO1)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccc(F)cc3)c2=O)cc1 ZINC000036094174 554178158 /nfs/dbraw/zinc/17/81/58/554178158.db2.gz LCAHAOCJXHVVSR-DEOSSOPVSA-N 0 0 500.530 4.816 50 0 KJAARN O=C(NC[C@H]1CCCO1)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccc(F)cc3)c2=O)cc1 ZINC000036094175 554178163 /nfs/dbraw/zinc/17/81/63/554178163.db2.gz LCAHAOCJXHVVSR-XMMPIXPASA-N 0 0 500.530 4.816 50 0 KJAARN CCN1CCN(C(=O)c2ccc(Nc3c(Oc4ccccc4)cnn(-c4ccc(F)cc4)c3=O)cc2)CC1 ZINC000036094176 554178175 /nfs/dbraw/zinc/17/81/75/554178175.db2.gz GTDFFUOKIBVNCZ-UHFFFAOYSA-N 0 0 513.573 4.685 50 0 KJAARN O=C(c1ccc(Nc2c(Oc3ccc(F)cc3)cnn(-c3ccc(F)cc3)c2=O)cc1)N1CCOCC1 ZINC000036094190 554178225 /nfs/dbraw/zinc/17/82/25/554178225.db2.gz UKXBBWCXLUJLRW-UHFFFAOYSA-N 0 0 504.493 4.519 50 0 KJAARN COc1cccc(CN(C(=O)c2cccc(Br)c2)C2CC2)c1OCc1nc(CO)cs1 ZINC000036094532 554178532 /nfs/dbraw/zinc/17/85/32/554178532.db2.gz DQSQRSBORSOOHD-UHFFFAOYSA-N 0 0 503.418 4.790 50 0 KJAARN Cc1ccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1 ZINC000036094581 554178495 /nfs/dbraw/zinc/17/84/95/554178495.db2.gz GBPSXPOEEQULGM-UHFFFAOYSA-N 0 0 513.573 4.604 50 0 KJAARN Cc1ccccc1Oc1cnn(-c2ccc(F)cc2)c(=O)c1Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000036094595 554178385 /nfs/dbraw/zinc/17/83/85/554178385.db2.gz MWZOZHGBENXCEA-UHFFFAOYSA-N 0 0 500.530 4.688 50 0 KJAARN Cc1cc(C)cc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccc(Cl)cc3)cs2)c1 ZINC000036105184 554178411 /nfs/dbraw/zinc/17/84/11/554178411.db2.gz VHODOXSMRCLHMN-UHFFFAOYSA-N 0 0 500.064 4.967 50 0 KJAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccc(Cl)cc3)cs2)c1C ZINC000036107143 554178705 /nfs/dbraw/zinc/17/87/05/554178705.db2.gz RPZOFSHLEMCWKP-UHFFFAOYSA-N 0 0 500.064 4.967 50 0 KJAARN COCCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1cccc(Br)c1 ZINC000036114925 554178813 /nfs/dbraw/zinc/17/88/13/554178813.db2.gz ZJFRIKKDSFSCNE-UHFFFAOYSA-N 0 0 521.433 4.791 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1cccs1 ZINC000036115629 554178979 /nfs/dbraw/zinc/17/89/79/554178979.db2.gz XPBSDYJZZCRIDH-FQEVSTJZSA-N 0 0 505.061 4.757 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1cccs1 ZINC000036115630 554178952 /nfs/dbraw/zinc/17/89/52/554178952.db2.gz XPBSDYJZZCRIDH-HXUWFJFHSA-N 0 0 505.061 4.757 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1 ZINC000036115631 554179012 /nfs/dbraw/zinc/17/90/12/554179012.db2.gz QXSBJFCSNNFUHL-DEOSSOPVSA-N 0 0 529.058 4.704 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1 ZINC000036115632 554178963 /nfs/dbraw/zinc/17/89/63/554178963.db2.gz QXSBJFCSNNFUHL-XMMPIXPASA-N 0 0 529.058 4.704 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1ccccc1F ZINC000036115643 554178973 /nfs/dbraw/zinc/17/89/73/554178973.db2.gz TZNWNCRTZVEGNJ-QHCPKHFHSA-N 0 0 517.022 4.834 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1ccccc1F ZINC000036115644 554179025 /nfs/dbraw/zinc/17/90/25/554179025.db2.gz TZNWNCRTZVEGNJ-HSZRJFAPSA-N 0 0 517.022 4.834 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(F)c1 ZINC000036115645 554178960 /nfs/dbraw/zinc/17/89/60/554178960.db2.gz JMXWJBJAIBESOY-QHCPKHFHSA-N 0 0 517.022 4.834 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(F)c1 ZINC000036115646 554178982 /nfs/dbraw/zinc/17/89/82/554178982.db2.gz JMXWJBJAIBESOY-HSZRJFAPSA-N 0 0 517.022 4.834 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000036115649 554178985 /nfs/dbraw/zinc/17/89/85/554178985.db2.gz MBWXSEODVCZXFM-DEOSSOPVSA-N 0 0 513.059 4.624 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000036115650 554179033 /nfs/dbraw/zinc/17/90/33/554179033.db2.gz MBWXSEODVCZXFM-XMMPIXPASA-N 0 0 513.059 4.624 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(OC)c1 ZINC000036115655 554179044 /nfs/dbraw/zinc/17/90/44/554179044.db2.gz AZCZXODJSDEFPU-DEOSSOPVSA-N 0 0 529.058 4.704 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(OC)c1 ZINC000036115656 554179009 /nfs/dbraw/zinc/17/90/09/554179009.db2.gz AZCZXODJSDEFPU-XMMPIXPASA-N 0 0 529.058 4.704 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000036115797 554179406 /nfs/dbraw/zinc/17/94/06/554179406.db2.gz IIZAALFAJGQWNG-NRFANRHFSA-N 0 0 503.020 4.678 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000036115798 554179416 /nfs/dbraw/zinc/17/94/16/554179416.db2.gz IIZAALFAJGQWNG-OAQYLSRUSA-N 0 0 503.020 4.678 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccco1)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1 ZINC000036115886 554179689 /nfs/dbraw/zinc/17/96/89/554179689.db2.gz XOLPIPOXQDMFPH-UNMCSNQZSA-N 0 0 515.031 4.821 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccco1)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1 ZINC000036115887 554179639 /nfs/dbraw/zinc/17/96/39/554179639.db2.gz XOLPIPOXQDMFPH-IRLDBZIGSA-N 0 0 515.031 4.821 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccco1)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1 ZINC000036115888 554179659 /nfs/dbraw/zinc/17/96/59/554179659.db2.gz XOLPIPOXQDMFPH-RBBKRZOGSA-N 0 0 515.031 4.821 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccco1)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1 ZINC000036115889 554179641 /nfs/dbraw/zinc/17/96/41/554179641.db2.gz XOLPIPOXQDMFPH-IFMALSPDSA-N 0 0 515.031 4.821 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccco1 ZINC000036116164 554180991 /nfs/dbraw/zinc/18/09/91/554180991.db2.gz JNERRUWYLRCDBQ-JOCHJYFZSA-N 0 0 517.047 4.987 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccco1 ZINC000036116165 554180995 /nfs/dbraw/zinc/18/09/95/554180995.db2.gz JNERRUWYLRCDBQ-QFIPXVFZSA-N 0 0 517.047 4.987 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000036116448 554181636 /nfs/dbraw/zinc/18/16/36/554181636.db2.gz DDKOGBDOGKFQCR-NRFANRHFSA-N 0 0 508.084 4.753 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000036116449 554181624 /nfs/dbraw/zinc/18/16/24/554181624.db2.gz DDKOGBDOGKFQCR-OAQYLSRUSA-N 0 0 508.084 4.753 50 0 KJAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000036116472 554181694 /nfs/dbraw/zinc/18/16/94/554181694.db2.gz RDZMRVAZYHUNGU-UNMCSNQZSA-N 0 0 506.068 4.505 50 0 KJAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000036116473 554181590 /nfs/dbraw/zinc/18/15/90/554181590.db2.gz RDZMRVAZYHUNGU-IRLDBZIGSA-N 0 0 506.068 4.505 50 0 KJAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000036116474 554181687 /nfs/dbraw/zinc/18/16/87/554181687.db2.gz RDZMRVAZYHUNGU-RBBKRZOGSA-N 0 0 506.068 4.505 50 0 KJAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000036116475 554181628 /nfs/dbraw/zinc/18/16/28/554181628.db2.gz RDZMRVAZYHUNGU-IFMALSPDSA-N 0 0 506.068 4.505 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)NC(C)C ZINC000036116554 554181930 /nfs/dbraw/zinc/18/19/30/554181930.db2.gz SRKKRGZVFSRPBH-JOCHJYFZSA-N 0 0 508.084 4.671 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)NC(C)C ZINC000036116555 554181961 /nfs/dbraw/zinc/18/19/61/554181961.db2.gz SRKKRGZVFSRPBH-QFIPXVFZSA-N 0 0 508.084 4.671 50 0 KJAARN CCCNC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1 ZINC000036116556 554182024 /nfs/dbraw/zinc/18/20/24/554182024.db2.gz HJGNBEVDGYNDKK-QFIPXVFZSA-N 0 0 508.084 4.673 50 0 KJAARN CCCNC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1 ZINC000036116557 554181989 /nfs/dbraw/zinc/18/19/89/554181989.db2.gz HJGNBEVDGYNDKK-JOCHJYFZSA-N 0 0 508.084 4.673 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)Cc2ccccc2)c1 ZINC000036117165 554184182 /nfs/dbraw/zinc/18/41/82/554184182.db2.gz LRLCMFUZLJPMRL-SANMLTNESA-N 0 0 506.668 4.989 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)Cc2ccccc2)c1 ZINC000036117166 554184249 /nfs/dbraw/zinc/18/42/49/554184249.db2.gz LRLCMFUZLJPMRL-AREMUKBSSA-N 0 0 506.668 4.989 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1cccc(Cl)c1 ZINC000036117203 554184334 /nfs/dbraw/zinc/18/43/34/554184334.db2.gz CEDFNGYWTZXBRZ-DEOSSOPVSA-N 0 0 529.058 4.704 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1cccc(Cl)c1 ZINC000036117204 554184409 /nfs/dbraw/zinc/18/44/09/554184409.db2.gz CEDFNGYWTZXBRZ-XMMPIXPASA-N 0 0 529.058 4.704 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(OC)c2)C(C)C)cc1 ZINC000036117215 554184382 /nfs/dbraw/zinc/18/43/82/554184382.db2.gz JVOCALJSRICMJY-VWLOTQADSA-N 0 0 508.640 4.821 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2cccc(OC)c2)C(C)C)cc1 ZINC000036117216 554184328 /nfs/dbraw/zinc/18/43/28/554184328.db2.gz JVOCALJSRICMJY-RUZDIDTESA-N 0 0 508.640 4.821 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2cccc(OC)c2)C(C)C)c1 ZINC000036117237 554184355 /nfs/dbraw/zinc/18/43/55/554184355.db2.gz AULULWACOMARGZ-VWLOTQADSA-N 0 0 508.640 4.821 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2cccc(OC)c2)C(C)C)c1 ZINC000036117238 554184392 /nfs/dbraw/zinc/18/43/92/554184392.db2.gz AULULWACOMARGZ-RUZDIDTESA-N 0 0 508.640 4.821 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C(C)C)c1 ZINC000036117239 554184366 /nfs/dbraw/zinc/18/43/66/554184366.db2.gz OZICAYIZHHPTQS-QHCPKHFHSA-N 0 0 522.623 4.541 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C(C)C)c1 ZINC000036117240 554184371 /nfs/dbraw/zinc/18/43/71/554184371.db2.gz OZICAYIZHHPTQS-HSZRJFAPSA-N 0 0 522.623 4.541 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(OC)c2)C2CC2)cc1 ZINC000036117341 554184933 /nfs/dbraw/zinc/18/49/33/554184933.db2.gz BCWPXYYOLKUGNC-VWLOTQADSA-N 0 0 506.624 4.575 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2cccc(OC)c2)C2CC2)cc1 ZINC000036117342 554184917 /nfs/dbraw/zinc/18/49/17/554184917.db2.gz BCWPXYYOLKUGNC-RUZDIDTESA-N 0 0 506.624 4.575 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccccc2OC)C2CC2)c1 ZINC000036117369 554184847 /nfs/dbraw/zinc/18/48/47/554184847.db2.gz DQNLUITZJUAVHL-XMMPIXPASA-N 0 0 506.624 4.575 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccccc2OC)C2CC2)c1 ZINC000036117370 554184903 /nfs/dbraw/zinc/18/49/03/554184903.db2.gz DQNLUITZJUAVHL-DEOSSOPVSA-N 0 0 506.624 4.575 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1ccc(C)cc1 ZINC000036117383 554184859 /nfs/dbraw/zinc/18/48/59/554184859.db2.gz CSIAJXMBNCJXMV-SANMLTNESA-N 0 0 522.667 4.749 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1ccc(C)cc1 ZINC000036117384 554184840 /nfs/dbraw/zinc/18/48/40/554184840.db2.gz CSIAJXMBNCJXMV-AREMUKBSSA-N 0 0 522.667 4.749 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1ccccc1F ZINC000036117387 554184900 /nfs/dbraw/zinc/18/49/00/554184900.db2.gz YGDZIFPHEQTRSG-VWLOTQADSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1ccccc1F ZINC000036117388 554184915 /nfs/dbraw/zinc/18/49/15/554184915.db2.gz YGDZIFPHEQTRSG-RUZDIDTESA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1cccc(F)c1 ZINC000036117389 554184924 /nfs/dbraw/zinc/18/49/24/554184924.db2.gz LKDWKBXRFDHWQV-VWLOTQADSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1cccc(F)c1 ZINC000036117390 554184869 /nfs/dbraw/zinc/18/48/69/554184869.db2.gz LKDWKBXRFDHWQV-RUZDIDTESA-N 0 0 526.630 4.580 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1ccc(OC)cc1 ZINC000036117407 554184896 /nfs/dbraw/zinc/18/48/96/554184896.db2.gz HYCBUUOALILTSI-VWLOTQADSA-N 0 0 508.640 4.823 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1ccc(OC)cc1 ZINC000036117408 554184872 /nfs/dbraw/zinc/18/48/72/554184872.db2.gz HYCBUUOALILTSI-RUZDIDTESA-N 0 0 508.640 4.823 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1cccc(OC)c1 ZINC000036117423 554184857 /nfs/dbraw/zinc/18/48/57/554184857.db2.gz LTYZGFRDWIDHGA-VWLOTQADSA-N 0 0 508.640 4.823 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1cccc(OC)c1 ZINC000036117424 554184863 /nfs/dbraw/zinc/18/48/63/554184863.db2.gz LTYZGFRDWIDHGA-RUZDIDTESA-N 0 0 508.640 4.823 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000036117425 554184851 /nfs/dbraw/zinc/18/48/51/554184851.db2.gz LPKLDBAMDNVETA-QHCPKHFHSA-N 0 0 522.623 4.543 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000036117426 554184908 /nfs/dbraw/zinc/18/49/08/554184908.db2.gz LPKLDBAMDNVETA-HSZRJFAPSA-N 0 0 522.623 4.543 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000036117441 554184928 /nfs/dbraw/zinc/18/49/28/554184928.db2.gz DJAHDACHWDATIJ-JTHBVZDNSA-N 0 0 526.680 4.644 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000036117442 554185149 /nfs/dbraw/zinc/18/51/49/554185149.db2.gz DJAHDACHWDATIJ-GMAHTHKFSA-N 0 0 526.680 4.644 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000036117443 554185170 /nfs/dbraw/zinc/18/51/70/554185170.db2.gz DJAHDACHWDATIJ-FYYLOGMGSA-N 0 0 526.680 4.644 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000036117444 554185233 /nfs/dbraw/zinc/18/52/33/554185233.db2.gz DJAHDACHWDATIJ-GGAORHGYSA-N 0 0 526.680 4.644 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2)c1 ZINC000036117453 554185213 /nfs/dbraw/zinc/18/52/13/554185213.db2.gz IUWXCAMZBBOATL-AZGAKELHSA-N 0 0 520.651 4.583 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2)c1 ZINC000036117454 554185139 /nfs/dbraw/zinc/18/51/39/554185139.db2.gz IUWXCAMZBBOATL-AHWVRZQESA-N 0 0 520.651 4.583 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2)c1 ZINC000036117455 554185180 /nfs/dbraw/zinc/18/51/80/554185180.db2.gz IUWXCAMZBBOATL-AOYPEHQESA-N 0 0 520.651 4.583 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2)c1 ZINC000036117456 554185239 /nfs/dbraw/zinc/18/52/39/554185239.db2.gz IUWXCAMZBBOATL-RSXGOPAZSA-N 0 0 520.651 4.583 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(OC)c2)CC2CC2)cc1 ZINC000036117475 554185220 /nfs/dbraw/zinc/18/52/20/554185220.db2.gz GENACPPMYFHSOO-SANMLTNESA-N 0 0 520.651 4.823 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2cccc(OC)c2)CC2CC2)cc1 ZINC000036117476 554185229 /nfs/dbraw/zinc/18/52/29/554185229.db2.gz GENACPPMYFHSOO-AREMUKBSSA-N 0 0 520.651 4.823 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)Cc2ccccc2)c1 ZINC000036117487 554185216 /nfs/dbraw/zinc/18/52/16/554185216.db2.gz AEJMOABHLQSERR-AREMUKBSSA-N 0 0 504.652 4.743 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)Cc2ccccc2)c1 ZINC000036117488 554185192 /nfs/dbraw/zinc/18/51/92/554185192.db2.gz AEJMOABHLQSERR-SANMLTNESA-N 0 0 504.652 4.743 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)c2cccc(OC)c2)c1 ZINC000036117489 554185165 /nfs/dbraw/zinc/18/51/65/554185165.db2.gz HIAXXYBBLFOEJM-SANMLTNESA-N 0 0 520.651 4.823 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)c2cccc(OC)c2)c1 ZINC000036117490 554185209 /nfs/dbraw/zinc/18/52/09/554185209.db2.gz HIAXXYBBLFOEJM-AREMUKBSSA-N 0 0 520.651 4.823 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)Cc1ccccc1 ZINC000036117571 554185348 /nfs/dbraw/zinc/18/53/48/554185348.db2.gz QGOALUGCUUVNSF-DEOSSOPVSA-N 0 0 506.668 4.989 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)Cc1ccccc1 ZINC000036117572 554185362 /nfs/dbraw/zinc/18/53/62/554185362.db2.gz QGOALUGCUUVNSF-XMMPIXPASA-N 0 0 506.668 4.989 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1cccc(Cl)c1 ZINC000036117647 554185479 /nfs/dbraw/zinc/18/54/79/554185479.db2.gz DXVCJOSOCNOSPT-QFIPXVFZSA-N 0 0 529.058 4.704 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1cccc(Cl)c1 ZINC000036117649 554185559 /nfs/dbraw/zinc/18/55/59/554185559.db2.gz DXVCJOSOCNOSPT-JOCHJYFZSA-N 0 0 529.058 4.704 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2OC)C(C)C)cc1 ZINC000036117671 554185536 /nfs/dbraw/zinc/18/55/36/554185536.db2.gz UCZMLVCFENGRHU-QHCPKHFHSA-N 0 0 508.640 4.821 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2OC)C(C)C)cc1 ZINC000036117672 554185521 /nfs/dbraw/zinc/18/55/21/554185521.db2.gz UCZMLVCFENGRHU-HSZRJFAPSA-N 0 0 508.640 4.821 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2OC)C(C)C)c1 ZINC000036117712 554185557 /nfs/dbraw/zinc/18/55/57/554185557.db2.gz NPYUBBKGJGPYBE-QHCPKHFHSA-N 0 0 508.640 4.821 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2OC)C(C)C)c1 ZINC000036117713 554185534 /nfs/dbraw/zinc/18/55/34/554185534.db2.gz NPYUBBKGJGPYBE-HSZRJFAPSA-N 0 0 508.640 4.821 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2OC)C2CC2)cc1 ZINC000036117859 554185902 /nfs/dbraw/zinc/18/59/02/554185902.db2.gz DKWJXMKLBLVYMK-QHCPKHFHSA-N 0 0 506.624 4.575 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2OC)C2CC2)cc1 ZINC000036117861 554185867 /nfs/dbraw/zinc/18/58/67/554185867.db2.gz DKWJXMKLBLVYMK-HSZRJFAPSA-N 0 0 506.624 4.575 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2OC)C2CC2)c1 ZINC000036117901 554185897 /nfs/dbraw/zinc/18/58/97/554185897.db2.gz WXYPPQRCAOZOJQ-QHCPKHFHSA-N 0 0 506.624 4.575 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2OC)C2CC2)c1 ZINC000036117902 554185845 /nfs/dbraw/zinc/18/58/45/554185845.db2.gz WXYPPQRCAOZOJQ-HSZRJFAPSA-N 0 0 506.624 4.575 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccccc1OC)C1CC1 ZINC000036117908 554185854 /nfs/dbraw/zinc/18/58/54/554185854.db2.gz KLYONLRGFGVFBW-QFIPXVFZSA-N 0 0 506.624 4.575 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccccc1OC)C1CC1 ZINC000036117909 554186031 /nfs/dbraw/zinc/18/60/31/554186031.db2.gz KLYONLRGFGVFBW-JOCHJYFZSA-N 0 0 506.624 4.575 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1ccc(F)cc1 ZINC000036117911 554186016 /nfs/dbraw/zinc/18/60/16/554186016.db2.gz GEZLSDZYLLLZGX-QHCPKHFHSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1ccc(F)cc1 ZINC000036117912 554185960 /nfs/dbraw/zinc/18/59/60/554185960.db2.gz GEZLSDZYLLLZGX-HSZRJFAPSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1cccs1 ZINC000036117925 554186060 /nfs/dbraw/zinc/18/60/60/554186060.db2.gz ROBIYCMKEKFIIQ-FQEVSTJZSA-N 0 0 514.669 4.502 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1cccs1 ZINC000036117927 554185963 /nfs/dbraw/zinc/18/59/63/554185963.db2.gz ROBIYCMKEKFIIQ-HXUWFJFHSA-N 0 0 514.669 4.502 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1ccc(C)cc1 ZINC000036117939 554186001 /nfs/dbraw/zinc/18/60/01/554186001.db2.gz WWIWVUFEMLKEFS-DEOSSOPVSA-N 0 0 522.667 4.749 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1ccc(C)cc1 ZINC000036117942 554186047 /nfs/dbraw/zinc/18/60/47/554186047.db2.gz WWIWVUFEMLKEFS-XMMPIXPASA-N 0 0 522.667 4.749 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1ccccc1F ZINC000036117950 554186056 /nfs/dbraw/zinc/18/60/56/554186056.db2.gz XVFXFJRBXRUEBX-QHCPKHFHSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1ccccc1F ZINC000036117952 554185992 /nfs/dbraw/zinc/18/59/92/554185992.db2.gz XVFXFJRBXRUEBX-HSZRJFAPSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1cccc(F)c1 ZINC000036117953 554185955 /nfs/dbraw/zinc/18/59/55/554185955.db2.gz FIDAGSZIUOWPEL-QHCPKHFHSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1cccc(F)c1 ZINC000036117955 554186018 /nfs/dbraw/zinc/18/60/18/554186018.db2.gz FIDAGSZIUOWPEL-HSZRJFAPSA-N 0 0 526.630 4.580 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1ccc(OC)cc1 ZINC000036117983 554185958 /nfs/dbraw/zinc/18/59/58/554185958.db2.gz BDKVSVFOURALSM-QHCPKHFHSA-N 0 0 508.640 4.823 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1ccc(OC)cc1 ZINC000036117985 554185969 /nfs/dbraw/zinc/18/59/69/554185969.db2.gz BDKVSVFOURALSM-HSZRJFAPSA-N 0 0 508.640 4.823 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1cccc(OC)c1 ZINC000036118023 554185985 /nfs/dbraw/zinc/18/59/85/554185985.db2.gz OBPVZWGLMIXVIM-QHCPKHFHSA-N 0 0 508.640 4.823 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)c1cccc(OC)c1 ZINC000036118024 554186042 /nfs/dbraw/zinc/18/60/42/554186042.db2.gz OBPVZWGLMIXVIM-HSZRJFAPSA-N 0 0 508.640 4.823 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)c1ccccc1 ZINC000036118189 554186208 /nfs/dbraw/zinc/18/62/08/554186208.db2.gz SVJMMAJVDWPPRE-LADGPHEKSA-N 0 0 520.651 4.583 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)c1ccccc1 ZINC000036118192 554186220 /nfs/dbraw/zinc/18/62/20/554186220.db2.gz SVJMMAJVDWPPRE-UPVQGACJSA-N 0 0 520.651 4.583 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)c1ccccc1 ZINC000036118197 554186277 /nfs/dbraw/zinc/18/62/77/554186277.db2.gz SVJMMAJVDWPPRE-ISKFKSNPSA-N 0 0 520.651 4.583 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)c1ccccc1 ZINC000036118202 554186230 /nfs/dbraw/zinc/18/62/30/554186230.db2.gz SVJMMAJVDWPPRE-VWNXMTODSA-N 0 0 520.651 4.583 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccc(F)cc1 ZINC000036118335 554186419 /nfs/dbraw/zinc/18/64/19/554186419.db2.gz JYPVPEJJBYJQFZ-HSZRJFAPSA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccc(F)cc1 ZINC000036118336 554186447 /nfs/dbraw/zinc/18/64/47/554186447.db2.gz JYPVPEJJBYJQFZ-QHCPKHFHSA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2OC)CC2CC2)cc1 ZINC000036118368 554186462 /nfs/dbraw/zinc/18/64/62/554186462.db2.gz MCNZPDHBZNSEKC-DEOSSOPVSA-N 0 0 520.651 4.823 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2OC)CC2CC2)cc1 ZINC000036118370 554186450 /nfs/dbraw/zinc/18/64/50/554186450.db2.gz MCNZPDHBZNSEKC-XMMPIXPASA-N 0 0 520.651 4.823 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccccc1F ZINC000036118401 554186441 /nfs/dbraw/zinc/18/64/41/554186441.db2.gz LDTSCHQWHFNWMC-HSZRJFAPSA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccccc1F ZINC000036118404 554186430 /nfs/dbraw/zinc/18/64/30/554186430.db2.gz LDTSCHQWHFNWMC-QHCPKHFHSA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1cccc(F)c1 ZINC000036118408 554186436 /nfs/dbraw/zinc/18/64/36/554186436.db2.gz PVULZMHRZHOGTF-HSZRJFAPSA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1cccc(F)c1 ZINC000036118413 554186416 /nfs/dbraw/zinc/18/64/16/554186416.db2.gz PVULZMHRZHOGTF-QHCPKHFHSA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)Cc1ccccc1 ZINC000036118422 554186422 /nfs/dbraw/zinc/18/64/22/554186422.db2.gz CEHDNYJATZJXIS-XMMPIXPASA-N 0 0 504.652 4.743 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)Cc1ccccc1 ZINC000036118426 554186477 /nfs/dbraw/zinc/18/64/77/554186477.db2.gz CEHDNYJATZJXIS-DEOSSOPVSA-N 0 0 504.652 4.743 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2OC)CC2CC2)c1 ZINC000036118434 554186444 /nfs/dbraw/zinc/18/64/44/554186444.db2.gz GOVLCOXNFDSQTD-DEOSSOPVSA-N 0 0 520.651 4.823 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2OC)CC2CC2)c1 ZINC000036118437 554186427 /nfs/dbraw/zinc/18/64/27/554186427.db2.gz GOVLCOXNFDSQTD-XMMPIXPASA-N 0 0 520.651 4.823 50 0 KJAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)c1ccc2c(c1)OCO2 ZINC000036118619 554186742 /nfs/dbraw/zinc/18/67/42/554186742.db2.gz WEXWEJGIPNDRHE-QFIPXVFZSA-N 0 0 506.624 4.761 50 0 KJAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)c1ccc2c(c1)OCO2 ZINC000036118624 554186734 /nfs/dbraw/zinc/18/67/34/554186734.db2.gz WEXWEJGIPNDRHE-JOCHJYFZSA-N 0 0 506.624 4.761 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C2CC2)c(C)c1 ZINC000036118760 554186708 /nfs/dbraw/zinc/18/67/08/554186708.db2.gz MFMQWACCOFAOLK-HSZRJFAPSA-N 0 0 518.635 4.903 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C2CC2)c(C)c1 ZINC000036118762 554186706 /nfs/dbraw/zinc/18/67/06/554186706.db2.gz MFMQWACCOFAOLK-QHCPKHFHSA-N 0 0 518.635 4.903 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccco2)c(C)c1 ZINC000036118943 554186839 /nfs/dbraw/zinc/18/68/39/554186839.db2.gz ZIFKFOWGEVZSOV-JTHBVZDNSA-N 0 0 508.640 4.784 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccco2)c(C)c1 ZINC000036118946 554186930 /nfs/dbraw/zinc/18/69/30/554186930.db2.gz ZIFKFOWGEVZSOV-GMAHTHKFSA-N 0 0 508.640 4.784 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccco2)c(C)c1 ZINC000036118948 554186871 /nfs/dbraw/zinc/18/68/71/554186871.db2.gz ZIFKFOWGEVZSOV-FYYLOGMGSA-N 0 0 508.640 4.784 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccco2)c(C)c1 ZINC000036118952 554186894 /nfs/dbraw/zinc/18/68/94/554186894.db2.gz ZIFKFOWGEVZSOV-GGAORHGYSA-N 0 0 508.640 4.784 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119595 554187546 /nfs/dbraw/zinc/18/75/46/554187546.db2.gz VNJBRKNLLAAZQW-UKILVPOCSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119596 554187560 /nfs/dbraw/zinc/18/75/60/554187560.db2.gz VNJBRKNLLAAZQW-ZCYQVOJMSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119597 554187572 /nfs/dbraw/zinc/18/75/72/554187572.db2.gz VNJBRKNLLAAZQW-ILBGXUMGSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119598 554187568 /nfs/dbraw/zinc/18/75/68/554187568.db2.gz VNJBRKNLLAAZQW-NOZRDPDXSA-N 0 0 508.615 4.713 50 0 KJAARN Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000036119615 554187564 /nfs/dbraw/zinc/18/75/64/554187564.db2.gz WJLAYKUDPOTFDM-AHWVRZQESA-N 0 0 504.652 4.883 50 0 KJAARN Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000036119616 554187601 /nfs/dbraw/zinc/18/76/01/554187601.db2.gz WJLAYKUDPOTFDM-RSXGOPAZSA-N 0 0 504.652 4.883 50 0 KJAARN Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000036119617 554187578 /nfs/dbraw/zinc/18/75/78/554187578.db2.gz WJLAYKUDPOTFDM-AZGAKELHSA-N 0 0 504.652 4.883 50 0 KJAARN Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000036119618 554187511 /nfs/dbraw/zinc/18/75/11/554187511.db2.gz WJLAYKUDPOTFDM-AOYPEHQESA-N 0 0 504.652 4.883 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119623 554187535 /nfs/dbraw/zinc/18/75/35/554187535.db2.gz YRAMUOIPWPRCFE-SQJMNOBHSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119624 554187527 /nfs/dbraw/zinc/18/75/27/554187527.db2.gz YRAMUOIPWPRCFE-OFVILXPXSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119625 554187596 /nfs/dbraw/zinc/18/75/96/554187596.db2.gz YRAMUOIPWPRCFE-PXDATVDWSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119626 554187604 /nfs/dbraw/zinc/18/76/04/554187604.db2.gz YRAMUOIPWPRCFE-BWKNWUBXSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119627 554187551 /nfs/dbraw/zinc/18/75/51/554187551.db2.gz IVCYCRXWPKSBAP-UKILVPOCSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119628 554187616 /nfs/dbraw/zinc/18/76/16/554187616.db2.gz IVCYCRXWPKSBAP-ZCYQVOJMSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119629 554187632 /nfs/dbraw/zinc/18/76/32/554187632.db2.gz IVCYCRXWPKSBAP-ILBGXUMGSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119630 554187917 /nfs/dbraw/zinc/18/79/17/554187917.db2.gz IVCYCRXWPKSBAP-NOZRDPDXSA-N 0 0 508.615 4.713 50 0 KJAARN Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@@H]1CCCO1 ZINC000036119639 554187904 /nfs/dbraw/zinc/18/79/04/554187904.db2.gz AWWZKZSWSJSWFD-OZXSUGGESA-N 0 0 504.652 4.883 50 0 KJAARN Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@H]1CCCO1 ZINC000036119640 554187857 /nfs/dbraw/zinc/18/78/57/554187857.db2.gz AWWZKZSWSJSWFD-BVAGGSTKSA-N 0 0 504.652 4.883 50 0 KJAARN Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@@H]1CCCO1 ZINC000036119641 554187914 /nfs/dbraw/zinc/18/79/14/554187914.db2.gz AWWZKZSWSJSWFD-JYFHCDHNSA-N 0 0 504.652 4.883 50 0 KJAARN Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@H]1CCCO1 ZINC000036119642 554187860 /nfs/dbraw/zinc/18/78/60/554187860.db2.gz AWWZKZSWSJSWFD-ZEQKJWHPSA-N 0 0 504.652 4.883 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000036119643 554187892 /nfs/dbraw/zinc/18/78/92/554187892.db2.gz UDWYONHEDYDMEK-AHWVRZQESA-N 0 0 520.651 4.583 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2)C[C@H]2CCCO2)c1 ZINC000036119644 554187902 /nfs/dbraw/zinc/18/79/02/554187902.db2.gz UDWYONHEDYDMEK-RSXGOPAZSA-N 0 0 520.651 4.583 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000036119645 554187911 /nfs/dbraw/zinc/18/79/11/554187911.db2.gz UDWYONHEDYDMEK-AZGAKELHSA-N 0 0 520.651 4.583 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2)C[C@H]2CCCO2)c1 ZINC000036119646 554187890 /nfs/dbraw/zinc/18/78/90/554187890.db2.gz UDWYONHEDYDMEK-AOYPEHQESA-N 0 0 520.651 4.583 50 0 KJAARN O=C(CN(CC1CC1)C(=O)c1ccc2c(c1)OCO2)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119684 554187843 /nfs/dbraw/zinc/18/78/43/554187843.db2.gz XENIAIHFCQFIRI-HSZRJFAPSA-N 0 0 504.608 4.534 50 0 KJAARN O=C(CN(CC1CC1)C(=O)c1ccc2c(c1)OCO2)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119685 554187888 /nfs/dbraw/zinc/18/78/88/554187888.db2.gz XENIAIHFCQFIRI-QHCPKHFHSA-N 0 0 504.608 4.534 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000036119883 554188086 /nfs/dbraw/zinc/18/80/86/554188086.db2.gz HALACCJJPZXFPG-HSZRJFAPSA-N 0 0 506.624 4.841 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000036119884 554188149 /nfs/dbraw/zinc/18/81/49/554188149.db2.gz HALACCJJPZXFPG-QHCPKHFHSA-N 0 0 506.624 4.841 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C2CC2)cc1 ZINC000036119971 554188094 /nfs/dbraw/zinc/18/80/94/554188094.db2.gz LPSLJRDNHTYDRD-HSZRJFAPSA-N 0 0 504.608 4.595 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C2CC2)cc1 ZINC000036119972 554188108 /nfs/dbraw/zinc/18/81/08/554188108.db2.gz LPSLJRDNHTYDRD-QHCPKHFHSA-N 0 0 504.608 4.595 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)c1ccccc1F ZINC000036119995 554188130 /nfs/dbraw/zinc/18/81/30/554188130.db2.gz QXCFMIJBEGHKFB-RUZDIDTESA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)c1ccccc1F ZINC000036119996 554188407 /nfs/dbraw/zinc/18/84/07/554188407.db2.gz QXCFMIJBEGHKFB-VWLOTQADSA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)c1cccc(F)c1 ZINC000036119997 554188440 /nfs/dbraw/zinc/18/84/40/554188440.db2.gz OSTCZSVMXCQYKY-RUZDIDTESA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)c1cccc(F)c1 ZINC000036119998 554188414 /nfs/dbraw/zinc/18/84/14/554188414.db2.gz OSTCZSVMXCQYKY-VWLOTQADSA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000036120001 554188377 /nfs/dbraw/zinc/18/83/77/554188377.db2.gz CGYAIRGJZLKGBA-AREMUKBSSA-N 0 0 506.668 4.669 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000036120002 554188382 /nfs/dbraw/zinc/18/83/82/554188382.db2.gz CGYAIRGJZLKGBA-SANMLTNESA-N 0 0 506.668 4.669 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)c1cccc(OC)c1 ZINC000036120007 554188425 /nfs/dbraw/zinc/18/84/25/554188425.db2.gz MQASZPNIBRTFAQ-AREMUKBSSA-N 0 0 522.667 4.749 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)c1cccc(OC)c1 ZINC000036120008 554188417 /nfs/dbraw/zinc/18/84/17/554188417.db2.gz MQASZPNIBRTFAQ-SANMLTNESA-N 0 0 522.667 4.749 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036120041 554188402 /nfs/dbraw/zinc/18/84/02/554188402.db2.gz JHOJZXOOGQGWMK-QHCPKHFHSA-N 0 0 506.624 4.842 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036120042 554188395 /nfs/dbraw/zinc/18/83/95/554188395.db2.gz JHOJZXOOGQGWMK-HSZRJFAPSA-N 0 0 506.624 4.842 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2)cc1 ZINC000036120101 554188409 /nfs/dbraw/zinc/18/84/09/554188409.db2.gz VHVBYOQIJOCMPF-AHKZPQOWSA-N 0 0 518.679 4.812 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2)cc1 ZINC000036120102 554188420 /nfs/dbraw/zinc/18/84/20/554188420.db2.gz VHVBYOQIJOCMPF-BDYUSTAISA-N 0 0 518.679 4.812 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)cc1 ZINC000036120103 554188397 /nfs/dbraw/zinc/18/83/97/554188397.db2.gz VHVBYOQIJOCMPF-XNMGPUDCSA-N 0 0 518.679 4.812 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)cc1 ZINC000036120104 554188388 /nfs/dbraw/zinc/18/83/88/554188388.db2.gz VHVBYOQIJOCMPF-VPUSJEBWSA-N 0 0 518.679 4.812 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000036120205 554188628 /nfs/dbraw/zinc/18/86/28/554188628.db2.gz VJTFEOGYPALQIR-XMMPIXPASA-N 0 0 518.635 4.842 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000036120206 554188611 /nfs/dbraw/zinc/18/86/11/554188611.db2.gz VJTFEOGYPALQIR-DEOSSOPVSA-N 0 0 518.635 4.842 50 0 KJAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1ccc2c(c1)OCO2 ZINC000036120301 554188891 /nfs/dbraw/zinc/18/88/91/554188891.db2.gz ZSHDMKHXIPSIFD-QFIPXVFZSA-N 0 0 524.614 4.919 50 0 KJAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1ccc2c(c1)OCO2 ZINC000036120302 554188918 /nfs/dbraw/zinc/18/89/18/554188918.db2.gz ZSHDMKHXIPSIFD-JOCHJYFZSA-N 0 0 524.614 4.919 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1cccc(Cl)c1 ZINC000036120343 554188845 /nfs/dbraw/zinc/18/88/45/554188845.db2.gz DZCUAMTZPXCQHJ-QFIPXVFZSA-N 0 0 517.022 4.834 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1cccc(Cl)c1 ZINC000036120344 554188888 /nfs/dbraw/zinc/18/88/88/554188888.db2.gz DZCUAMTZPXCQHJ-JOCHJYFZSA-N 0 0 517.022 4.834 50 0 KJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1ccc2c(c1)OCO2 ZINC000036120379 554188894 /nfs/dbraw/zinc/18/88/94/554188894.db2.gz HUQKFUVSKSKERL-NRFANRHFSA-N 0 0 510.587 4.672 50 0 KJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1ccc2c(c1)OCO2 ZINC000036120380 554188880 /nfs/dbraw/zinc/18/88/80/554188880.db2.gz HUQKFUVSKSKERL-OAQYLSRUSA-N 0 0 510.587 4.672 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1cccs1 ZINC000036120491 554189170 /nfs/dbraw/zinc/18/91/70/554189170.db2.gz NPKVLBZEZNQSBG-FQEVSTJZSA-N 0 0 502.633 4.632 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1cccs1 ZINC000036120492 554189066 /nfs/dbraw/zinc/18/90/66/554189066.db2.gz NPKVLBZEZNQSBG-HXUWFJFHSA-N 0 0 502.633 4.632 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1ccc(OC)cc1 ZINC000036120493 554189140 /nfs/dbraw/zinc/18/91/40/554189140.db2.gz LSUXPPZXQVJITL-DEOSSOPVSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1ccc(OC)cc1 ZINC000036120494 554189106 /nfs/dbraw/zinc/18/91/06/554189106.db2.gz LSUXPPZXQVJITL-XMMPIXPASA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1ccccc1F ZINC000036120505 554189048 /nfs/dbraw/zinc/18/90/48/554189048.db2.gz ZAZKHWSKTKVRFL-QHCPKHFHSA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1ccccc1F ZINC000036120506 554189123 /nfs/dbraw/zinc/18/91/23/554189123.db2.gz ZAZKHWSKTKVRFL-HSZRJFAPSA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1cccc(F)c1 ZINC000036120507 554189132 /nfs/dbraw/zinc/18/91/32/554189132.db2.gz KREZCWWQERQFJE-QHCPKHFHSA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1cccc(F)c1 ZINC000036120508 554189101 /nfs/dbraw/zinc/18/91/01/554189101.db2.gz KREZCWWQERQFJE-HSZRJFAPSA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1cccc(OC)c1 ZINC000036120515 554189111 /nfs/dbraw/zinc/18/91/11/554189111.db2.gz YMQZTPPFWCICBQ-DEOSSOPVSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1cccc(OC)c1 ZINC000036120516 554189135 /nfs/dbraw/zinc/18/91/35/554189135.db2.gz YMQZTPPFWCICBQ-XMMPIXPASA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1cccc(C)c1 ZINC000036120517 554189160 /nfs/dbraw/zinc/18/91/60/554189160.db2.gz NUPOABUUHXLENV-DEOSSOPVSA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1cccc(C)c1 ZINC000036120518 554189080 /nfs/dbraw/zinc/18/90/80/554189080.db2.gz NUPOABUUHXLENV-XMMPIXPASA-N 0 0 510.631 4.879 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)c1ccc2c(c1)OCO2 ZINC000036120545 554189076 /nfs/dbraw/zinc/18/90/76/554189076.db2.gz PLXAFZGUSNWMQD-NRFANRHFSA-N 0 0 510.587 4.673 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)c1ccc2c(c1)OCO2 ZINC000036120546 554189143 /nfs/dbraw/zinc/18/91/43/554189143.db2.gz PLXAFZGUSNWMQD-OAQYLSRUSA-N 0 0 510.587 4.673 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120579 554189462 /nfs/dbraw/zinc/18/94/62/554189462.db2.gz UVOSLFZBORMIQY-CYFREDJKSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120580 554189386 /nfs/dbraw/zinc/18/93/86/554189386.db2.gz UVOSLFZBORMIQY-DVECYGJZSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120581 554189401 /nfs/dbraw/zinc/18/94/01/554189401.db2.gz UVOSLFZBORMIQY-YADARESESA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120582 554189426 /nfs/dbraw/zinc/18/94/26/554189426.db2.gz UVOSLFZBORMIQY-NTKDMRAZSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120583 554189469 /nfs/dbraw/zinc/18/94/69/554189469.db2.gz LDPPPZIICWNWKD-XUZZJYLKSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120584 554189458 /nfs/dbraw/zinc/18/94/58/554189458.db2.gz LDPPPZIICWNWKD-URXFXBBRSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120585 554189487 /nfs/dbraw/zinc/18/94/87/554189487.db2.gz LDPPPZIICWNWKD-ZJSXRUAMSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120586 554189378 /nfs/dbraw/zinc/18/93/78/554189378.db2.gz LDPPPZIICWNWKD-QPPBQGQZSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)C1CCCC1)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120587 554189451 /nfs/dbraw/zinc/18/94/51/554189451.db2.gz FHKFIPRDGPBZTO-NZQKXSOJSA-N 0 0 500.636 4.590 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)C1CCCC1)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120588 554189491 /nfs/dbraw/zinc/18/94/91/554189491.db2.gz FHKFIPRDGPBZTO-REWPJTCUSA-N 0 0 500.636 4.590 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)C1CCCC1)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120589 554189415 /nfs/dbraw/zinc/18/94/15/554189415.db2.gz FHKFIPRDGPBZTO-NFBKMPQASA-N 0 0 500.636 4.590 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)C1CCCC1)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120590 554189391 /nfs/dbraw/zinc/18/93/91/554189391.db2.gz FHKFIPRDGPBZTO-OFNKIYASSA-N 0 0 500.636 4.590 50 0 KJAARN O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C[C@@H]1CCCO1 ZINC000036120591 554189404 /nfs/dbraw/zinc/18/94/04/554189404.db2.gz XIILBLAKPWOLFI-DHLKQENFSA-N 0 0 522.642 4.642 50 0 KJAARN O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C[C@H]1CCCO1 ZINC000036120592 554189419 /nfs/dbraw/zinc/18/94/19/554189419.db2.gz XIILBLAKPWOLFI-RDGATRHJSA-N 0 0 522.642 4.642 50 0 KJAARN O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C[C@@H]1CCCO1 ZINC000036120593 554189455 /nfs/dbraw/zinc/18/94/55/554189455.db2.gz XIILBLAKPWOLFI-WIOPSUGQSA-N 0 0 522.642 4.642 50 0 KJAARN O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C[C@H]1CCCO1 ZINC000036120594 554189395 /nfs/dbraw/zinc/18/93/95/554189395.db2.gz XIILBLAKPWOLFI-RCZVLFRGSA-N 0 0 522.642 4.642 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)CC2CC2)cc1 ZINC000036120671 554189817 /nfs/dbraw/zinc/18/98/17/554189817.db2.gz UJZNHICFGQBAFQ-DEOSSOPVSA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)CC2CC2)cc1 ZINC000036120672 554189954 /nfs/dbraw/zinc/18/99/54/554189954.db2.gz UJZNHICFGQBAFQ-XMMPIXPASA-N 0 0 508.615 4.953 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)CC2CC2)c1 ZINC000036120695 554190009 /nfs/dbraw/zinc/19/00/09/554190009.db2.gz OFDIKELGPONIDI-DEOSSOPVSA-N 0 0 508.615 4.953 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)CC2CC2)c1 ZINC000036120696 554189934 /nfs/dbraw/zinc/18/99/34/554189934.db2.gz OFDIKELGPONIDI-XMMPIXPASA-N 0 0 508.615 4.953 50 0 KJAARN O=C(CN(CC1CC1)C(=O)c1ccc2c(c1)OCO2)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120697 554189999 /nfs/dbraw/zinc/18/99/99/554189999.db2.gz XCGWUEQETMSVQR-JOCHJYFZSA-N 0 0 522.598 4.673 50 0 KJAARN O=C(CN(CC1CC1)C(=O)c1ccc2c(c1)OCO2)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120698 554189985 /nfs/dbraw/zinc/18/99/85/554189985.db2.gz XCGWUEQETMSVQR-QFIPXVFZSA-N 0 0 522.598 4.673 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)c1cccc(Cl)c1 ZINC000036120791 554189924 /nfs/dbraw/zinc/18/99/24/554189924.db2.gz SZOIWGGLXSMFHC-QHCPKHFHSA-N 0 0 517.022 4.834 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1cccc(Cl)c1 ZINC000036120792 554189965 /nfs/dbraw/zinc/18/99/65/554189965.db2.gz SZOIWGGLXSMFHC-HSZRJFAPSA-N 0 0 517.022 4.834 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)c1ccc(F)cc1 ZINC000036120971 554190301 /nfs/dbraw/zinc/19/03/01/554190301.db2.gz APTJKNJQZVSPHX-DEOSSOPVSA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1ccc(F)cc1 ZINC000036120972 554190554 /nfs/dbraw/zinc/19/05/54/554190554.db2.gz APTJKNJQZVSPHX-XMMPIXPASA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)c1cccs1 ZINC000036120977 554190546 /nfs/dbraw/zinc/19/05/46/554190546.db2.gz IPOKHENSYUJELU-NRFANRHFSA-N 0 0 502.633 4.632 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1cccs1 ZINC000036120978 554190587 /nfs/dbraw/zinc/19/05/87/554190587.db2.gz IPOKHENSYUJELU-OAQYLSRUSA-N 0 0 502.633 4.632 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)c1ccc(OC)cc1 ZINC000036120979 554190545 /nfs/dbraw/zinc/19/05/45/554190545.db2.gz PTGVFLPOSAROAW-VWLOTQADSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1ccc(OC)cc1 ZINC000036120980 554190596 /nfs/dbraw/zinc/19/05/96/554190596.db2.gz PTGVFLPOSAROAW-RUZDIDTESA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)c1ccccc1F ZINC000036120987 554190563 /nfs/dbraw/zinc/19/05/63/554190563.db2.gz HRWWEYXMNCPFTE-DEOSSOPVSA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1ccccc1F ZINC000036120988 554190589 /nfs/dbraw/zinc/19/05/89/554190589.db2.gz HRWWEYXMNCPFTE-XMMPIXPASA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)c1ccccc1C ZINC000036120995 554190582 /nfs/dbraw/zinc/19/05/82/554190582.db2.gz IFCHTPIOJDVXTH-VWLOTQADSA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1ccccc1C ZINC000036120996 554190534 /nfs/dbraw/zinc/19/05/34/554190534.db2.gz IFCHTPIOJDVXTH-RUZDIDTESA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)c1cccc(OC)c1 ZINC000036120997 554190569 /nfs/dbraw/zinc/19/05/69/554190569.db2.gz IRJPJVSKTYTCDI-VWLOTQADSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1cccc(OC)c1 ZINC000036120998 554190602 /nfs/dbraw/zinc/19/06/02/554190602.db2.gz IRJPJVSKTYTCDI-RUZDIDTESA-N 0 0 526.630 4.580 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121027 554190548 /nfs/dbraw/zinc/19/05/48/554190548.db2.gz ODRKQRDWWNFZRQ-QFIPXVFZSA-N 0 0 510.587 4.673 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121028 554190560 /nfs/dbraw/zinc/19/05/60/554190560.db2.gz ODRKQRDWWNFZRQ-JOCHJYFZSA-N 0 0 510.587 4.673 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036121069 554190567 /nfs/dbraw/zinc/19/05/67/554190567.db2.gz FYUPTPWFCUWZCK-UKILVPOCSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036121070 554190557 /nfs/dbraw/zinc/19/05/57/554190557.db2.gz FYUPTPWFCUWZCK-ZCYQVOJMSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036121071 554190550 /nfs/dbraw/zinc/19/05/50/554190550.db2.gz FYUPTPWFCUWZCK-ILBGXUMGSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036121072 554190808 /nfs/dbraw/zinc/19/08/08/554190808.db2.gz FYUPTPWFCUWZCK-NOZRDPDXSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccs1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036121085 554190818 /nfs/dbraw/zinc/19/08/18/554190818.db2.gz KIZMDAKZMLYPLJ-RBBKRZOGSA-N 0 0 514.644 4.775 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccs1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036121086 554190784 /nfs/dbraw/zinc/19/07/84/554190784.db2.gz KIZMDAKZMLYPLJ-UNMCSNQZSA-N 0 0 514.644 4.775 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccs1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036121087 554190814 /nfs/dbraw/zinc/19/08/14/554190814.db2.gz KIZMDAKZMLYPLJ-IFMALSPDSA-N 0 0 514.644 4.775 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccs1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036121088 554190775 /nfs/dbraw/zinc/19/07/75/554190775.db2.gz KIZMDAKZMLYPLJ-IRLDBZIGSA-N 0 0 514.644 4.775 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036121105 554190828 /nfs/dbraw/zinc/19/08/28/554190828.db2.gz STASOTSQEHLSQE-ZCYQVOJMSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036121106 554190834 /nfs/dbraw/zinc/19/08/34/554190834.db2.gz STASOTSQEHLSQE-NOZRDPDXSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036121107 554190748 /nfs/dbraw/zinc/19/07/48/554190748.db2.gz STASOTSQEHLSQE-UKILVPOCSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036121108 554190806 /nfs/dbraw/zinc/19/08/06/554190806.db2.gz STASOTSQEHLSQE-ILBGXUMGSA-N 0 0 526.605 4.853 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(F)c2)CC2CC2)cc1 ZINC000036121193 554191075 /nfs/dbraw/zinc/19/10/75/554191075.db2.gz VKWKDLFUFYJLTP-VWLOTQADSA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2cccc(F)c2)CC2CC2)cc1 ZINC000036121194 554191101 /nfs/dbraw/zinc/19/11/01/554191101.db2.gz VKWKDLFUFYJLTP-RUZDIDTESA-N 0 0 508.615 4.953 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(F)c2)CC2CC2)c1 ZINC000036121215 554191090 /nfs/dbraw/zinc/19/10/90/554191090.db2.gz RSMLMURCTDBRRZ-VWLOTQADSA-N 0 0 508.615 4.953 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2cccc(F)c2)CC2CC2)c1 ZINC000036121216 554191003 /nfs/dbraw/zinc/19/10/03/554191003.db2.gz RSMLMURCTDBRRZ-RUZDIDTESA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1 ZINC000036121219 554191037 /nfs/dbraw/zinc/19/10/37/554191037.db2.gz ZNGRWYBNBCLASN-DEOSSOPVSA-N 0 0 508.615 4.953 50 0 KJAARN COc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1 ZINC000036121220 554191022 /nfs/dbraw/zinc/19/10/22/554191022.db2.gz ZNGRWYBNBCLASN-XMMPIXPASA-N 0 0 508.615 4.953 50 0 KJAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121331 554191343 /nfs/dbraw/zinc/19/13/43/554191343.db2.gz HARSFUVGXYDCSW-QHCPKHFHSA-N 0 0 524.614 4.919 50 0 KJAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121332 554191381 /nfs/dbraw/zinc/19/13/81/554191381.db2.gz HARSFUVGXYDCSW-HSZRJFAPSA-N 0 0 524.614 4.919 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1ccccc1Cl ZINC000036121345 554191230 /nfs/dbraw/zinc/19/12/30/554191230.db2.gz LVRVUKOTGHNTTC-QHCPKHFHSA-N 0 0 517.022 4.834 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccccc1Cl ZINC000036121346 554191311 /nfs/dbraw/zinc/19/13/11/554191311.db2.gz LVRVUKOTGHNTTC-HSZRJFAPSA-N 0 0 517.022 4.834 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1cccc(Cl)c1 ZINC000036121369 554191648 /nfs/dbraw/zinc/19/16/48/554191648.db2.gz LAJATZDSQZBEKB-QHCPKHFHSA-N 0 0 517.022 4.834 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1cccc(Cl)c1 ZINC000036121370 554191599 /nfs/dbraw/zinc/19/15/99/554191599.db2.gz LAJATZDSQZBEKB-HSZRJFAPSA-N 0 0 517.022 4.834 50 0 KJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121405 554191539 /nfs/dbraw/zinc/19/15/39/554191539.db2.gz OMGQCOJRIJROCT-QFIPXVFZSA-N 0 0 510.587 4.672 50 0 KJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121406 554191641 /nfs/dbraw/zinc/19/16/41/554191641.db2.gz OMGQCOJRIJROCT-JOCHJYFZSA-N 0 0 510.587 4.672 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000036121481 554191587 /nfs/dbraw/zinc/19/15/87/554191587.db2.gz UFTSEDDJAACCLV-DEOSSOPVSA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000036121482 554191617 /nfs/dbraw/zinc/19/16/17/554191617.db2.gz UFTSEDDJAACCLV-XMMPIXPASA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1cccs1 ZINC000036121489 554191628 /nfs/dbraw/zinc/19/16/28/554191628.db2.gz PWXYOUYSUFZVJK-NRFANRHFSA-N 0 0 502.633 4.632 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1cccs1 ZINC000036121490 554191594 /nfs/dbraw/zinc/19/15/94/554191594.db2.gz PWXYOUYSUFZVJK-OAQYLSRUSA-N 0 0 502.633 4.632 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1ccc(C)cc1 ZINC000036121497 554191603 /nfs/dbraw/zinc/19/16/03/554191603.db2.gz PMHCYAALQAUDLM-VWLOTQADSA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccc(C)cc1 ZINC000036121498 554191553 /nfs/dbraw/zinc/19/15/53/554191553.db2.gz PMHCYAALQAUDLM-RUZDIDTESA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1ccccc1F ZINC000036121501 554191624 /nfs/dbraw/zinc/19/16/24/554191624.db2.gz RGWMNDAMDWLBTP-DEOSSOPVSA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccccc1F ZINC000036121502 554191916 /nfs/dbraw/zinc/19/19/16/554191916.db2.gz RGWMNDAMDWLBTP-XMMPIXPASA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1cccc(F)c1 ZINC000036121503 554191935 /nfs/dbraw/zinc/19/19/35/554191935.db2.gz NDAILJLXHRTIDO-DEOSSOPVSA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1cccc(F)c1 ZINC000036121504 554191838 /nfs/dbraw/zinc/19/18/38/554191838.db2.gz NDAILJLXHRTIDO-XMMPIXPASA-N 0 0 514.594 4.710 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1cccc(OC)c1 ZINC000036121511 554191887 /nfs/dbraw/zinc/19/18/87/554191887.db2.gz DOIKDYARYXIHEB-VWLOTQADSA-N 0 0 526.630 4.580 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1cccc(OC)c1 ZINC000036121512 554191882 /nfs/dbraw/zinc/19/18/82/554191882.db2.gz DOIKDYARYXIHEB-RUZDIDTESA-N 0 0 526.630 4.580 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121535 554191943 /nfs/dbraw/zinc/19/19/43/554191943.db2.gz DNVLHAGGMHNKKY-QFIPXVFZSA-N 0 0 510.587 4.673 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121536 554191928 /nfs/dbraw/zinc/19/19/28/554191928.db2.gz DNVLHAGGMHNKKY-JOCHJYFZSA-N 0 0 510.587 4.673 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121569 554191891 /nfs/dbraw/zinc/19/18/91/554191891.db2.gz DJKNTSMPJKBNAT-ZCYQVOJMSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121570 554191923 /nfs/dbraw/zinc/19/19/23/554191923.db2.gz DJKNTSMPJKBNAT-NOZRDPDXSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121571 554191953 /nfs/dbraw/zinc/19/19/53/554191953.db2.gz DJKNTSMPJKBNAT-UKILVPOCSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(F)cc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121572 554191897 /nfs/dbraw/zinc/19/18/97/554191897.db2.gz DJKNTSMPJKBNAT-ILBGXUMGSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccs1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121585 554191963 /nfs/dbraw/zinc/19/19/63/554191963.db2.gz VTGQAMUUJNKJPA-UNMCSNQZSA-N 0 0 514.644 4.775 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccs1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121586 554191967 /nfs/dbraw/zinc/19/19/67/554191967.db2.gz VTGQAMUUJNKJPA-IRLDBZIGSA-N 0 0 514.644 4.775 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccs1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121587 554191857 /nfs/dbraw/zinc/19/18/57/554191857.db2.gz VTGQAMUUJNKJPA-RBBKRZOGSA-N 0 0 514.644 4.775 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccs1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121588 554191824 /nfs/dbraw/zinc/19/18/24/554191824.db2.gz VTGQAMUUJNKJPA-IFMALSPDSA-N 0 0 514.644 4.775 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121597 554191958 /nfs/dbraw/zinc/19/19/58/554191958.db2.gz DHDFVMBWYQYAIV-ZCYQVOJMSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121598 554191978 /nfs/dbraw/zinc/19/19/78/554191978.db2.gz DHDFVMBWYQYAIV-NOZRDPDXSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121599 554191866 /nfs/dbraw/zinc/19/18/66/554191866.db2.gz DHDFVMBWYQYAIV-UKILVPOCSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121600 554191861 /nfs/dbraw/zinc/19/18/61/554191861.db2.gz DHDFVMBWYQYAIV-ILBGXUMGSA-N 0 0 508.615 4.713 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121609 554192098 /nfs/dbraw/zinc/19/20/98/554192098.db2.gz XUWXATFSJAOLSB-OFVILXPXSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121610 554192081 /nfs/dbraw/zinc/19/20/81/554192081.db2.gz XUWXATFSJAOLSB-BWKNWUBXSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121611 554192071 /nfs/dbraw/zinc/19/20/71/554192071.db2.gz XUWXATFSJAOLSB-SQJMNOBHSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1F)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121612 554192151 /nfs/dbraw/zinc/19/21/51/554192151.db2.gz XUWXATFSJAOLSB-PXDATVDWSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121613 554192086 /nfs/dbraw/zinc/19/20/86/554192086.db2.gz SRMSUYOXEGMATP-ZCYQVOJMSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121614 554192079 /nfs/dbraw/zinc/19/20/79/554192079.db2.gz SRMSUYOXEGMATP-NOZRDPDXSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121615 554192101 /nfs/dbraw/zinc/19/21/01/554192101.db2.gz SRMSUYOXEGMATP-UKILVPOCSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121616 554192149 /nfs/dbraw/zinc/19/21/49/554192149.db2.gz SRMSUYOXEGMATP-ILBGXUMGSA-N 0 0 526.605 4.853 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)C1CCCC1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121617 554192120 /nfs/dbraw/zinc/19/21/20/554192120.db2.gz VMVLJDWENNPPHB-LADGPHEKSA-N 0 0 500.636 4.590 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)C1CCCC1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121618 554192077 /nfs/dbraw/zinc/19/20/77/554192077.db2.gz VMVLJDWENNPPHB-UPVQGACJSA-N 0 0 500.636 4.590 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)C1CCCC1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121619 554192109 /nfs/dbraw/zinc/19/21/09/554192109.db2.gz VMVLJDWENNPPHB-ISKFKSNPSA-N 0 0 500.636 4.590 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)C1CCCC1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121620 554192095 /nfs/dbraw/zinc/19/20/95/554192095.db2.gz VMVLJDWENNPPHB-VWNXMTODSA-N 0 0 500.636 4.590 50 0 KJAARN O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036121621 554192088 /nfs/dbraw/zinc/19/20/88/554192088.db2.gz RMCWFXLDISHBBC-AHWVRZQESA-N 0 0 522.642 4.642 50 0 KJAARN O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000036121622 554192091 /nfs/dbraw/zinc/19/20/91/554192091.db2.gz RMCWFXLDISHBBC-RSXGOPAZSA-N 0 0 522.642 4.642 50 0 KJAARN O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036121623 554192117 /nfs/dbraw/zinc/19/21/17/554192117.db2.gz RMCWFXLDISHBBC-AZGAKELHSA-N 0 0 522.642 4.642 50 0 KJAARN O=C(Cc1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000036121625 554192123 /nfs/dbraw/zinc/19/21/23/554192123.db2.gz RMCWFXLDISHBBC-AOYPEHQESA-N 0 0 522.642 4.642 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)CC2CC2)c1 ZINC000036121745 554192527 /nfs/dbraw/zinc/19/25/27/554192527.db2.gz ZRZDPNQSYRZIJK-VWLOTQADSA-N 0 0 508.615 4.953 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)CC2CC2)c1 ZINC000036121746 554192509 /nfs/dbraw/zinc/19/25/09/554192509.db2.gz ZRZDPNQSYRZIJK-RUZDIDTESA-N 0 0 508.615 4.953 50 0 KJAARN O=C(CN(CC1CC1)C(=O)c1ccc2c(c1)OCO2)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121747 554192453 /nfs/dbraw/zinc/19/24/53/554192453.db2.gz MALZNKGSCFKWEJ-HSZRJFAPSA-N 0 0 522.598 4.673 50 0 KJAARN O=C(CN(CC1CC1)C(=O)c1ccc2c(c1)OCO2)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121748 554192434 /nfs/dbraw/zinc/19/24/34/554192434.db2.gz MALZNKGSCFKWEJ-QHCPKHFHSA-N 0 0 522.598 4.673 50 0 KJAARN Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccc2c(c1)OCO2)C(C)C ZINC000036121914 554192792 /nfs/dbraw/zinc/19/27/92/554192792.db2.gz GVOWQJDDACTONI-JOCHJYFZSA-N 0 0 506.624 4.841 50 0 KJAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccc2c(c1)OCO2)C(C)C ZINC000036121915 554192738 /nfs/dbraw/zinc/19/27/38/554192738.db2.gz GVOWQJDDACTONI-QFIPXVFZSA-N 0 0 506.624 4.841 50 0 KJAARN Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccc2c(c1)OCO2)C1CC1 ZINC000036122034 554192986 /nfs/dbraw/zinc/19/29/86/554192986.db2.gz FKKMGRWNTUDASL-JOCHJYFZSA-N 0 0 504.608 4.595 50 0 KJAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccc2c(c1)OCO2)C1CC1 ZINC000036122035 554193023 /nfs/dbraw/zinc/19/30/23/554193023.db2.gz FKKMGRWNTUDASL-QFIPXVFZSA-N 0 0 504.608 4.595 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)c1ccc(OC)cc1 ZINC000036122044 554193019 /nfs/dbraw/zinc/19/30/19/554193019.db2.gz YKRTUKCDRHPPFY-RUZDIDTESA-N 0 0 522.667 4.749 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)c1ccc(OC)cc1 ZINC000036122045 554193045 /nfs/dbraw/zinc/19/30/45/554193045.db2.gz YKRTUKCDRHPPFY-VWLOTQADSA-N 0 0 522.667 4.749 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)c1ccccc1F ZINC000036122052 554193038 /nfs/dbraw/zinc/19/30/38/554193038.db2.gz KQJMDRQZTHIJRA-XMMPIXPASA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)c1ccccc1F ZINC000036122053 554193017 /nfs/dbraw/zinc/19/30/17/554193017.db2.gz KQJMDRQZTHIJRA-DEOSSOPVSA-N 0 0 510.631 4.879 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)Cc1ccccc1 ZINC000036122056 554192989 /nfs/dbraw/zinc/19/29/89/554192989.db2.gz LTAPBKPRLKWNKR-RUZDIDTESA-N 0 0 506.668 4.669 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)Cc1ccccc1 ZINC000036122057 554193002 /nfs/dbraw/zinc/19/30/02/554193002.db2.gz LTAPBKPRLKWNKR-VWLOTQADSA-N 0 0 506.668 4.669 50 0 KJAARN Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036122128 554192993 /nfs/dbraw/zinc/19/29/93/554192993.db2.gz OTTGAPUBZMTDMO-HSZRJFAPSA-N 0 0 518.635 4.842 50 0 KJAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036122129 554193252 /nfs/dbraw/zinc/19/32/52/554193252.db2.gz OTTGAPUBZMTDMO-QHCPKHFHSA-N 0 0 518.635 4.842 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)NC(C)(C)C ZINC000036122174 554193360 /nfs/dbraw/zinc/19/33/60/554193360.db2.gz AJAUZNCDABRYCP-HSZRJFAPSA-N 0 0 501.693 4.833 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)NC(C)(C)C ZINC000036122175 554193308 /nfs/dbraw/zinc/19/33/08/554193308.db2.gz AJAUZNCDABRYCP-QHCPKHFHSA-N 0 0 501.693 4.833 50 0 KJAARN CCCNC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036122240 554193505 /nfs/dbraw/zinc/19/35/05/554193505.db2.gz SSBQWAIGJZMLNN-DEOSSOPVSA-N 0 0 501.693 4.834 50 0 KJAARN CCCNC(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000036122241 554193580 /nfs/dbraw/zinc/19/35/80/554193580.db2.gz SSBQWAIGJZMLNN-XMMPIXPASA-N 0 0 501.693 4.834 50 0 KJAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H]1CCCO1 ZINC000036122260 554193538 /nfs/dbraw/zinc/19/35/38/554193538.db2.gz JMQYYCGJQZJBTL-UKILVPOCSA-N 0 0 513.704 4.975 50 0 KJAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H]1CCCO1 ZINC000036122261 554193499 /nfs/dbraw/zinc/19/34/99/554193499.db2.gz JMQYYCGJQZJBTL-ZCYQVOJMSA-N 0 0 513.704 4.975 50 0 KJAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H]1CCCO1 ZINC000036122262 554193514 /nfs/dbraw/zinc/19/35/14/554193514.db2.gz JMQYYCGJQZJBTL-ILBGXUMGSA-N 0 0 513.704 4.975 50 0 KJAARN CC(C)NC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H]1CCCO1 ZINC000036122263 554193607 /nfs/dbraw/zinc/19/36/07/554193607.db2.gz JMQYYCGJQZJBTL-NOZRDPDXSA-N 0 0 513.704 4.975 50 0 KJAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H]1CCCO1 ZINC000036122264 554193562 /nfs/dbraw/zinc/19/35/62/554193562.db2.gz SVESHCFDEQDGKP-ZCYQVOJMSA-N 0 0 513.704 4.977 50 0 KJAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H]1CCCO1 ZINC000036122265 554193543 /nfs/dbraw/zinc/19/35/43/554193543.db2.gz SVESHCFDEQDGKP-NOZRDPDXSA-N 0 0 513.704 4.977 50 0 KJAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H]1CCCO1 ZINC000036122266 554193610 /nfs/dbraw/zinc/19/36/10/554193610.db2.gz SVESHCFDEQDGKP-UKILVPOCSA-N 0 0 513.704 4.977 50 0 KJAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H]1CCCO1 ZINC000036122267 554193529 /nfs/dbraw/zinc/19/35/29/554193529.db2.gz SVESHCFDEQDGKP-ILBGXUMGSA-N 0 0 513.704 4.977 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)Nc1ccc(C)cc1 ZINC000036122416 554193809 /nfs/dbraw/zinc/19/38/09/554193809.db2.gz UXLWIQPXYIBZSA-QHCPKHFHSA-N 0 0 523.655 4.750 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)Nc1ccc(C)cc1 ZINC000036122417 554193860 /nfs/dbraw/zinc/19/38/60/554193860.db2.gz UXLWIQPXYIBZSA-HSZRJFAPSA-N 0 0 523.655 4.750 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)c(C)c1 ZINC000036122562 554194396 /nfs/dbraw/zinc/19/43/96/554194396.db2.gz YXDOHMYNQOHFRN-JTHBVZDNSA-N 0 0 513.704 4.859 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)c(C)c1 ZINC000036122563 554194282 /nfs/dbraw/zinc/19/42/82/554194282.db2.gz YXDOHMYNQOHFRN-GMAHTHKFSA-N 0 0 513.704 4.859 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)c(C)c1 ZINC000036122564 554194344 /nfs/dbraw/zinc/19/43/44/554194344.db2.gz YXDOHMYNQOHFRN-FYYLOGMGSA-N 0 0 513.704 4.859 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)c(C)c1 ZINC000036122565 554194366 /nfs/dbraw/zinc/19/43/66/554194366.db2.gz YXDOHMYNQOHFRN-GGAORHGYSA-N 0 0 513.704 4.859 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)Nc1ccc(C)cc1 ZINC000036122963 554194856 /nfs/dbraw/zinc/19/48/56/554194856.db2.gz XCFYMZDIGYJQSV-QHCPKHFHSA-N 0 0 511.619 4.881 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)Nc1ccc(C)cc1 ZINC000036122964 554194811 /nfs/dbraw/zinc/19/48/11/554194811.db2.gz XCFYMZDIGYJQSV-HSZRJFAPSA-N 0 0 511.619 4.881 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)Nc1ccc(C)cc1 ZINC000036123084 554195100 /nfs/dbraw/zinc/19/51/00/554195100.db2.gz VKDCQJGRNUPDLZ-DEOSSOPVSA-N 0 0 511.619 4.881 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)Nc1ccc(C)cc1 ZINC000036123087 554195136 /nfs/dbraw/zinc/19/51/36/554195136.db2.gz VKDCQJGRNUPDLZ-XMMPIXPASA-N 0 0 511.619 4.881 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036124101 554195615 /nfs/dbraw/zinc/19/56/15/554195615.db2.gz WOWHXYPECPASEN-VWLOTQADSA-N 0 0 528.696 4.669 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036124105 554195852 /nfs/dbraw/zinc/19/58/52/554195852.db2.gz WOWHXYPECPASEN-RUZDIDTESA-N 0 0 528.696 4.669 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124116 554195855 /nfs/dbraw/zinc/19/58/55/554195855.db2.gz DUNWWFZXNRFUQP-VWLOTQADSA-N 0 0 528.696 4.671 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124120 554195866 /nfs/dbraw/zinc/19/58/66/554195866.db2.gz DUNWWFZXNRFUQP-RUZDIDTESA-N 0 0 528.696 4.671 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000036124128 554195876 /nfs/dbraw/zinc/19/58/76/554195876.db2.gz GJULHGFRDLEEPW-QHCPKHFHSA-N 0 0 528.696 4.669 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000036124131 554195883 /nfs/dbraw/zinc/19/58/83/554195883.db2.gz GJULHGFRDLEEPW-HSZRJFAPSA-N 0 0 528.696 4.669 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000036124140 554195838 /nfs/dbraw/zinc/19/58/38/554195838.db2.gz XYBWFTBKCWHVHH-QHCPKHFHSA-N 0 0 528.696 4.671 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000036124142 554195858 /nfs/dbraw/zinc/19/58/58/554195858.db2.gz XYBWFTBKCWHVHH-HSZRJFAPSA-N 0 0 528.696 4.671 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2)CC2CC2)cc1 ZINC000036124168 554195886 /nfs/dbraw/zinc/19/58/86/554195886.db2.gz HGYDFTVHICHJDT-VWLOTQADSA-N 0 0 510.681 4.662 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2)CC2CC2)cc1 ZINC000036124171 554195904 /nfs/dbraw/zinc/19/59/04/554195904.db2.gz HGYDFTVHICHJDT-RUZDIDTESA-N 0 0 510.681 4.662 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036124207 554196105 /nfs/dbraw/zinc/19/61/05/554196105.db2.gz BHLRUMJYYKGVMY-RUZDIDTESA-N 0 0 512.697 4.969 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036124209 554196090 /nfs/dbraw/zinc/19/60/90/554196090.db2.gz BHLRUMJYYKGVMY-VWLOTQADSA-N 0 0 512.697 4.969 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124218 554196086 /nfs/dbraw/zinc/19/60/86/554196086.db2.gz LSGHXJGMOWMWAE-VWLOTQADSA-N 0 0 512.697 4.971 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124221 554196119 /nfs/dbraw/zinc/19/61/19/554196119.db2.gz LSGHXJGMOWMWAE-RUZDIDTESA-N 0 0 512.697 4.971 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036124222 554196044 /nfs/dbraw/zinc/19/60/44/554196044.db2.gz LPHYSBUMCXQLGY-AREMUKBSSA-N 0 0 524.708 4.971 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036124226 554196059 /nfs/dbraw/zinc/19/60/59/554196059.db2.gz LPHYSBUMCXQLGY-SANMLTNESA-N 0 0 524.708 4.971 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)C2CC2)cc1 ZINC000036124246 554196121 /nfs/dbraw/zinc/19/61/21/554196121.db2.gz CBUUAHKPKXYLLD-QHCPKHFHSA-N 0 0 514.644 4.554 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)C2CC2)cc1 ZINC000036124248 554196051 /nfs/dbraw/zinc/19/60/51/554196051.db2.gz CBUUAHKPKXYLLD-HSZRJFAPSA-N 0 0 514.644 4.554 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000036124250 554196109 /nfs/dbraw/zinc/19/61/09/554196109.db2.gz QZKMDDXTJHEBEK-QHCPKHFHSA-N 0 0 516.660 4.801 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000036124253 554196138 /nfs/dbraw/zinc/19/61/38/554196138.db2.gz QZKMDDXTJHEBEK-HSZRJFAPSA-N 0 0 516.660 4.801 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)CC2CC2)cc1 ZINC000036124254 554196098 /nfs/dbraw/zinc/19/60/98/554196098.db2.gz NRQQYOCQLGEFAG-DEOSSOPVSA-N 0 0 528.671 4.801 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)CC2CC2)cc1 ZINC000036124256 554196055 /nfs/dbraw/zinc/19/60/55/554196055.db2.gz NRQQYOCQLGEFAG-XMMPIXPASA-N 0 0 528.671 4.801 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(F)c2)C2CC2)cc1 ZINC000036124273 554196083 /nfs/dbraw/zinc/19/60/83/554196083.db2.gz LLWCSQZAJFLAJU-DEOSSOPVSA-N 0 0 514.644 4.554 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2cccc(F)c2)C2CC2)cc1 ZINC000036124274 554196095 /nfs/dbraw/zinc/19/60/95/554196095.db2.gz LLWCSQZAJFLAJU-XMMPIXPASA-N 0 0 514.644 4.554 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124278 554196131 /nfs/dbraw/zinc/19/61/31/554196131.db2.gz USUYPYBITDRNHA-DEOSSOPVSA-N 0 0 516.660 4.801 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124281 554196382 /nfs/dbraw/zinc/19/63/82/554196382.db2.gz USUYPYBITDRNHA-XMMPIXPASA-N 0 0 516.660 4.801 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(F)c2)CC2CC2)cc1 ZINC000036124284 554196400 /nfs/dbraw/zinc/19/64/00/554196400.db2.gz DYRCUDNWPGTTLI-VWLOTQADSA-N 0 0 528.671 4.801 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2cccc(F)c2)CC2CC2)cc1 ZINC000036124288 554196458 /nfs/dbraw/zinc/19/64/58/554196458.db2.gz DYRCUDNWPGTTLI-RUZDIDTESA-N 0 0 528.671 4.801 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)C(C)C)cc1 ZINC000036124304 554196418 /nfs/dbraw/zinc/19/64/18/554196418.db2.gz XDHJBLSTTHUPML-DEOSSOPVSA-N 0 0 516.660 4.800 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)C(C)C)cc1 ZINC000036124307 554196442 /nfs/dbraw/zinc/19/64/42/554196442.db2.gz XDHJBLSTTHUPML-XMMPIXPASA-N 0 0 516.660 4.800 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124314 554196445 /nfs/dbraw/zinc/19/64/45/554196445.db2.gz NIWMHMWJFIFDFE-DEOSSOPVSA-N 0 0 516.660 4.801 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124316 554196481 /nfs/dbraw/zinc/19/64/81/554196481.db2.gz NIWMHMWJFIFDFE-XMMPIXPASA-N 0 0 516.660 4.801 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)CC2CC2)cc1 ZINC000036124318 554196396 /nfs/dbraw/zinc/19/63/96/554196396.db2.gz MAGMKUVGNULKFK-VWLOTQADSA-N 0 0 528.671 4.801 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)CC2CC2)cc1 ZINC000036124320 554196479 /nfs/dbraw/zinc/19/64/79/554196479.db2.gz MAGMKUVGNULKFK-RUZDIDTESA-N 0 0 528.671 4.801 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2C)C(C)C)cc1 ZINC000036124334 554196404 /nfs/dbraw/zinc/19/64/04/554196404.db2.gz ZLGQRHHAYABXNK-DEOSSOPVSA-N 0 0 512.697 4.969 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2C)C(C)C)cc1 ZINC000036124336 554196408 /nfs/dbraw/zinc/19/64/08/554196408.db2.gz ZLGQRHHAYABXNK-XMMPIXPASA-N 0 0 512.697 4.969 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2C)C(C)C)cc1 ZINC000036124337 554196464 /nfs/dbraw/zinc/19/64/64/554196464.db2.gz YTGRDKFHRVBEAJ-XMMPIXPASA-N 0 0 528.696 4.669 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2C)C(C)C)cc1 ZINC000036124340 554196430 /nfs/dbraw/zinc/19/64/30/554196430.db2.gz YTGRDKFHRVBEAJ-DEOSSOPVSA-N 0 0 528.696 4.669 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2C)C2CC2)cc1 ZINC000036124353 554196447 /nfs/dbraw/zinc/19/64/47/554196447.db2.gz NCQZEXUTKRRSLB-DEOSSOPVSA-N 0 0 510.681 4.723 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2C)C2CC2)cc1 ZINC000036124356 554196389 /nfs/dbraw/zinc/19/63/89/554196389.db2.gz NCQZEXUTKRRSLB-XMMPIXPASA-N 0 0 510.681 4.723 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2C)CC2CC2)cc1 ZINC000036124367 554196415 /nfs/dbraw/zinc/19/64/15/554196415.db2.gz CVFSUDLFNSLRCF-VWLOTQADSA-N 0 0 524.708 4.971 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2C)CC2CC2)cc1 ZINC000036124370 554196604 /nfs/dbraw/zinc/19/66/04/554196604.db2.gz CVFSUDLFNSLRCF-RUZDIDTESA-N 0 0 524.708 4.971 50 0 KJAARN COCC(=O)Nc1ccc(-c2c(-c3cc(OC)cc(OC)c3)nn(-c3ccccc3)c2OC(C)=O)cc1 ZINC000036145198 554197150 /nfs/dbraw/zinc/19/71/50/554197150.db2.gz ZCRBTOIQCLFOLC-UHFFFAOYSA-N 0 0 501.539 4.734 50 0 KJAARN COCC(=O)Nc1ccc(-c2c(-c3cc(OC)cc(OC)c3)nn(-c3ccc(F)cc3)c2OC(C)=O)cc1 ZINC000036145212 554197174 /nfs/dbraw/zinc/19/71/74/554197174.db2.gz DBNGWFPNXIOIIP-UHFFFAOYSA-N 0 0 519.529 4.873 50 0 KJAARN COCC(=O)Nc1ccc(-c2c(-c3ccc4c(c3)OCO4)nn(-c3ccc(F)cc3)c2OC(C)=O)cc1 ZINC000036145221 554197269 /nfs/dbraw/zinc/19/72/69/554197269.db2.gz FCTIDSJFHKNFDW-UHFFFAOYSA-N 0 0 503.486 4.584 50 0 KJAARN COCC(=O)Nc1ccc(-c2c(-c3ccc(N(C)C)cc3)nn(-c3ccc(F)cc3)c2OC(C)=O)cc1 ZINC000036145432 554197750 /nfs/dbraw/zinc/19/77/50/554197750.db2.gz BTYVNLVPQSBWFT-UHFFFAOYSA-N 0 0 502.546 4.922 50 0 KJAARN COCC(=O)Nc1ccc(-c2c(-c3ccc(N(C)C)cc3)nn(-c3cccc(F)c3)c2OC(C)=O)cc1 ZINC000036145440 554197745 /nfs/dbraw/zinc/19/77/45/554197745.db2.gz XWUIOFXKVXXTTA-UHFFFAOYSA-N 0 0 502.546 4.922 50 0 KJAARN COCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc2c(c1)OCO2 ZINC000036145510 554197707 /nfs/dbraw/zinc/19/77/07/554197707.db2.gz XCUNLRINAIRGKK-UHFFFAOYSA-N 0 0 531.605 4.958 50 0 KJAARN CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC[C@H](O)COCc3ccccc3)cc2)n1 ZINC000036145518 554197682 /nfs/dbraw/zinc/19/76/82/554197682.db2.gz QIXLBBNWYIILJE-MHZLTWQESA-N 0 0 502.615 4.648 50 0 KJAARN CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC[C@@H](O)COCc3ccccc3)cc2)n1 ZINC000036145519 554197841 /nfs/dbraw/zinc/19/78/41/554197841.db2.gz QIXLBBNWYIILJE-HHHXNRCGSA-N 0 0 502.615 4.648 50 0 KJAARN CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC[C@H](O)COC(C)C)cc2)n1 ZINC000036145682 554197813 /nfs/dbraw/zinc/19/78/13/554197813.db2.gz GZIGNSLGPUQINK-QFIPXVFZSA-N 0 0 508.541 4.566 50 0 KJAARN CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC[C@@H](O)COC(C)C)cc2)n1 ZINC000036145683 554197719 /nfs/dbraw/zinc/19/77/19/554197719.db2.gz GZIGNSLGPUQINK-JOCHJYFZSA-N 0 0 508.541 4.566 50 0 KJAARN CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC[C@H](O)COCC(C)C)cc2)n1 ZINC000036145684 554197757 /nfs/dbraw/zinc/19/77/57/554197757.db2.gz LTCZZDZKZBBECK-QHCPKHFHSA-N 0 0 522.568 4.814 50 0 KJAARN CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC[C@@H](O)COCC(C)C)cc2)n1 ZINC000036145685 554198235 /nfs/dbraw/zinc/19/82/35/554198235.db2.gz LTCZZDZKZBBECK-HSZRJFAPSA-N 0 0 522.568 4.814 50 0 KJAARN CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC[C@H](O)COC(C)(C)C)cc2)n1 ZINC000036145688 554198135 /nfs/dbraw/zinc/19/81/35/554198135.db2.gz VMTREEHMIWZJNN-QFIPXVFZSA-N 0 0 522.568 4.956 50 0 KJAARN CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC[C@@H](O)COC(C)(C)C)cc2)n1 ZINC000036145689 554198131 /nfs/dbraw/zinc/19/81/31/554198131.db2.gz VMTREEHMIWZJNN-JOCHJYFZSA-N 0 0 522.568 4.956 50 0 KJAARN O[C@@H](COCc1ccccc1)CN(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146152 554198125 /nfs/dbraw/zinc/19/81/25/554198125.db2.gz JGQCBNIUJTWGMB-RPWUZVMVSA-N 0 0 509.002 4.642 50 0 KJAARN O[C@H](COCc1ccccc1)CN(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146155 554198171 /nfs/dbraw/zinc/19/81/71/554198171.db2.gz JGQCBNIUJTWGMB-ZEQRLZLVSA-N 0 0 509.002 4.642 50 0 KJAARN Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146626 554198111 /nfs/dbraw/zinc/19/81/11/554198111.db2.gz QIBQNQZVOVXALC-PKTZIBPZSA-N 0 0 509.002 4.812 50 0 KJAARN Cc1ccccc1OC[C@@H](O)CN(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146627 554198266 /nfs/dbraw/zinc/19/82/66/554198266.db2.gz QIBQNQZVOVXALC-GOTSBHOMSA-N 0 0 509.002 4.812 50 0 KJAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)NCc1cccc(C)c1)C(=O)N2Cc1cccc(OC)c1 ZINC000036163246 554199500 /nfs/dbraw/zinc/19/95/00/554199500.db2.gz NRHAYOLISMKTAZ-MUUNZHRXSA-N 0 0 503.624 4.670 50 0 KJAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)NCc1cccc(C)c1)C(=O)N2Cc1cccc(OC)c1 ZINC000036163249 554199466 /nfs/dbraw/zinc/19/94/66/554199466.db2.gz NRHAYOLISMKTAZ-NDEPHWFRSA-N 0 0 503.624 4.670 50 0 KJAARN COc1ccc(NC(=O)N2CCS[C@@]23c2cc(OC)ccc2N(Cc2cccc(OC)c2)C3=O)cc1 ZINC000036163252 554199471 /nfs/dbraw/zinc/19/94/71/554199471.db2.gz SZUFPIKYONYQMY-HHHXNRCGSA-N 0 0 505.596 4.693 50 0 KJAARN COc1ccc(NC(=O)N2CCS[C@]23c2cc(OC)ccc2N(Cc2cccc(OC)c2)C3=O)cc1 ZINC000036163256 554199447 /nfs/dbraw/zinc/19/94/47/554199447.db2.gz SZUFPIKYONYQMY-MHZLTWQESA-N 0 0 505.596 4.693 50 0 KJAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1cccc(OC)c1)C(=O)N2Cc1c(F)cccc1F ZINC000036163986 554199482 /nfs/dbraw/zinc/19/94/82/554199482.db2.gz LIQDPVCAZNCNLY-AREMUKBSSA-N 0 0 511.550 4.963 50 0 KJAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1cccc(OC)c1)C(=O)N2Cc1c(F)cccc1F ZINC000036163989 554199410 /nfs/dbraw/zinc/19/94/10/554199410.db2.gz LIQDPVCAZNCNLY-SANMLTNESA-N 0 0 511.550 4.963 50 0 KJAARN COc1ccc(NC(=O)N2CCS[C@@]23c2cc(OC)ccc2N(Cc2c(F)cccc2F)C3=O)cc1 ZINC000036163992 554199487 /nfs/dbraw/zinc/19/94/87/554199487.db2.gz KHSQQKBGBYOIOD-AREMUKBSSA-N 0 0 511.550 4.963 50 0 KJAARN COc1ccc(NC(=O)N2CCS[C@]23c2cc(OC)ccc2N(Cc2c(F)cccc2F)C3=O)cc1 ZINC000036163995 554199402 /nfs/dbraw/zinc/19/94/02/554199402.db2.gz KHSQQKBGBYOIOD-SANMLTNESA-N 0 0 511.550 4.963 50 0 KJAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)NCc1cccc(C)c1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036164056 554199462 /nfs/dbraw/zinc/19/94/62/554199462.db2.gz HQNMPDGBWJQXAF-HHHXNRCGSA-N 0 0 509.578 4.940 50 0 KJAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)NCc1cccc(C)c1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036164060 554199450 /nfs/dbraw/zinc/19/94/50/554199450.db2.gz HQNMPDGBWJQXAF-MHZLTWQESA-N 0 0 509.578 4.940 50 0 KJAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1cccc(OC)c1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036164071 554199555 /nfs/dbraw/zinc/19/95/55/554199555.db2.gz BZZFJNRWFFSGPW-AREMUKBSSA-N 0 0 511.550 4.963 50 0 KJAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1cccc(OC)c1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036164076 554199442 /nfs/dbraw/zinc/19/94/42/554199442.db2.gz BZZFJNRWFFSGPW-SANMLTNESA-N 0 0 511.550 4.963 50 0 KJAARN COc1ccc(NC(=O)N2CCS[C@@]23c2cc(OC)ccc2N(Cc2ccc(F)c(F)c2)C3=O)cc1 ZINC000036164079 554199414 /nfs/dbraw/zinc/19/94/14/554199414.db2.gz VDELRRAIORWFQG-AREMUKBSSA-N 0 0 511.550 4.963 50 0 KJAARN COc1ccc(NC(=O)N2CCS[C@]23c2cc(OC)ccc2N(Cc2ccc(F)c(F)c2)C3=O)cc1 ZINC000036164082 554199761 /nfs/dbraw/zinc/19/97/61/554199761.db2.gz VDELRRAIORWFQG-SANMLTNESA-N 0 0 511.550 4.963 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)[C@H](N1CCN(c3ccc(Cl)cc3)CC1)S2 ZINC000036201471 554200722 /nfs/dbraw/zinc/20/07/22/554200722.db2.gz QJCZOOVUEBBOMD-AREMUKBSSA-N 0 0 511.022 4.602 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)[C@@H](N1CCN(c3ccc(Cl)cc3)CC1)S2 ZINC000036201473 554200616 /nfs/dbraw/zinc/20/06/16/554200616.db2.gz QJCZOOVUEBBOMD-SANMLTNESA-N 0 0 511.022 4.602 50 0 KJAARN C[C@@H]1CCc2c(sc3nc(CN(Cc4ccccc4)C[C@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000036205011 554200984 /nfs/dbraw/zinc/20/09/84/554200984.db2.gz JIQLOOHNPQYVMI-OFNKIYASSA-N 0 0 503.668 4.689 50 0 KJAARN C[C@H]1CCc2c(sc3nc(CN(Cc4ccccc4)C[C@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000036205016 554201024 /nfs/dbraw/zinc/20/10/24/554201024.db2.gz JIQLOOHNPQYVMI-REWPJTCUSA-N 0 0 503.668 4.689 50 0 KJAARN CC(C)COC[C@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000036205434 554201272 /nfs/dbraw/zinc/20/12/72/554201272.db2.gz AZZMBJQFADAGIK-QGZVFWFLSA-N 0 0 502.036 4.934 50 0 KJAARN CC(C)COC[C@@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000036205437 554201034 /nfs/dbraw/zinc/20/10/34/554201034.db2.gz AZZMBJQFADAGIK-KRWDZBQOSA-N 0 0 502.036 4.934 50 0 KJAARN COc1ccc(-c2csc3[nH]c(CN(CCC(C)C)C[C@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000036206039 554201612 /nfs/dbraw/zinc/20/16/12/554201612.db2.gz VUSDUGSFMKUWKG-FQEVSTJZSA-N 0 0 517.692 4.550 50 0 KJAARN COc1ccc(-c2csc3[nH]c(CN(CCC(C)C)C[C@@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000036206042 554201735 /nfs/dbraw/zinc/20/17/35/554201735.db2.gz VUSDUGSFMKUWKG-HXUWFJFHSA-N 0 0 517.692 4.550 50 0 KJAARN COc1ccccc1-c1csc2[nH]c(CN(Cc3ccccc3)C[C@@H](O)COCC(C)C)nc(=O)c12 ZINC000036206544 554202304 /nfs/dbraw/zinc/20/23/04/554202304.db2.gz YBBWTQHHJIIWSF-OAQYLSRUSA-N 0 0 507.656 4.696 50 0 KJAARN COc1ccccc1-c1csc2[nH]c(CN(Cc3ccccc3)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206545 554202156 /nfs/dbraw/zinc/20/21/56/554202156.db2.gz YBBWTQHHJIIWSF-NRFANRHFSA-N 0 0 507.656 4.696 50 0 KJAARN COCCCN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C[C@H](O)COc1ccccc1 ZINC000036207112 554202033 /nfs/dbraw/zinc/20/20/33/554202033.db2.gz LKRCVXQEIKMMMZ-NRFANRHFSA-N 0 0 507.656 4.547 50 0 KJAARN COCCCN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C[C@@H](O)COc1ccccc1 ZINC000036207113 554201980 /nfs/dbraw/zinc/20/19/80/554201980.db2.gz LKRCVXQEIKMMMZ-OAQYLSRUSA-N 0 0 507.656 4.547 50 0 KJAARN COc1ccccc1-c1csc2[nH]c(CN(C[C@H](O)COc3ccc(Cl)cc3)C(C)C)nc(=O)c12 ZINC000036207132 554202204 /nfs/dbraw/zinc/20/22/04/554202204.db2.gz CKDXGRJJEPATMQ-SFHVURJKSA-N 0 0 514.047 4.964 50 0 KJAARN COc1ccccc1-c1csc2[nH]c(CN(C[C@@H](O)COc3ccc(Cl)cc3)C(C)C)nc(=O)c12 ZINC000036207133 554201933 /nfs/dbraw/zinc/20/19/33/554201933.db2.gz CKDXGRJJEPATMQ-GOSISDBHSA-N 0 0 514.047 4.964 50 0 KJAARN O=C(N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000036209805 554203016 /nfs/dbraw/zinc/20/30/16/554203016.db2.gz FZYHZCOMYJUAPB-QHCPKHFHSA-N 0 0 502.442 4.657 50 0 KJAARN O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000036209807 554203058 /nfs/dbraw/zinc/20/30/58/554203058.db2.gz FZYHZCOMYJUAPB-HSZRJFAPSA-N 0 0 502.442 4.657 50 0 KJAARN Cc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000036211739 554203956 /nfs/dbraw/zinc/20/39/56/554203956.db2.gz LXWWJFYPXRCIRC-DEOSSOPVSA-N 0 0 515.576 4.677 50 0 KJAARN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000036211740 554203964 /nfs/dbraw/zinc/20/39/64/554203964.db2.gz LXWWJFYPXRCIRC-XMMPIXPASA-N 0 0 515.576 4.677 50 0 KJAARN CCN(CC)C(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211759 554203929 /nfs/dbraw/zinc/20/39/29/554203929.db2.gz VGEGSNYXTDQWMN-HSZRJFAPSA-N 0 0 503.565 4.533 50 0 KJAARN CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211760 554203937 /nfs/dbraw/zinc/20/39/37/554203937.db2.gz VGEGSNYXTDQWMN-QHCPKHFHSA-N 0 0 503.565 4.533 50 0 KJAARN Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000036211872 554204313 /nfs/dbraw/zinc/20/43/13/554204313.db2.gz WVOVBUCCEYVJKX-DEOSSOPVSA-N 0 0 527.543 4.574 50 0 KJAARN Cc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000036211874 554204316 /nfs/dbraw/zinc/20/43/16/554204316.db2.gz WVOVBUCCEYVJKX-XMMPIXPASA-N 0 0 527.543 4.574 50 0 KJAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211932 554204297 /nfs/dbraw/zinc/20/42/97/554204297.db2.gz IMZXYSPFSRHQKR-WZONZLPQSA-N 0 0 503.565 4.579 50 0 KJAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211934 554204320 /nfs/dbraw/zinc/20/43/20/554204320.db2.gz IMZXYSPFSRHQKR-FDDCHVKYSA-N 0 0 503.565 4.579 50 0 KJAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211935 554204352 /nfs/dbraw/zinc/20/43/52/554204352.db2.gz IMZXYSPFSRHQKR-JPYJTQIMSA-N 0 0 503.565 4.579 50 0 KJAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211937 554204355 /nfs/dbraw/zinc/20/43/55/554204355.db2.gz IMZXYSPFSRHQKR-MBSDFSHPSA-N 0 0 503.565 4.579 50 0 KJAARN O=C(N[C@@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000036212552 554204342 /nfs/dbraw/zinc/20/43/42/554204342.db2.gz LZISGTMKULJENR-RUZDIDTESA-N 0 0 523.555 4.673 50 0 KJAARN O=C(N[C@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000036212553 554204294 /nfs/dbraw/zinc/20/42/94/554204294.db2.gz LZISGTMKULJENR-VWLOTQADSA-N 0 0 523.555 4.673 50 0 KJAARN CC(C)[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000036212756 554204533 /nfs/dbraw/zinc/20/45/33/554204533.db2.gz FEDYMHDGYISVNZ-WZONZLPQSA-N 0 0 503.565 4.517 50 0 KJAARN CC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000036212757 554204671 /nfs/dbraw/zinc/20/46/71/554204671.db2.gz FEDYMHDGYISVNZ-FDDCHVKYSA-N 0 0 503.565 4.517 50 0 KJAARN CC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000036212758 554204559 /nfs/dbraw/zinc/20/45/59/554204559.db2.gz FEDYMHDGYISVNZ-JPYJTQIMSA-N 0 0 503.565 4.517 50 0 KJAARN CC(C)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000036212759 554204577 /nfs/dbraw/zinc/20/45/77/554204577.db2.gz FEDYMHDGYISVNZ-MBSDFSHPSA-N 0 0 503.565 4.517 50 0 KJAARN Cc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000036212772 554204629 /nfs/dbraw/zinc/20/46/29/554204629.db2.gz LUCLSCBWRNAIQW-DEOSSOPVSA-N 0 0 515.576 4.677 50 0 KJAARN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000036212773 554204674 /nfs/dbraw/zinc/20/46/74/554204674.db2.gz LUCLSCBWRNAIQW-XMMPIXPASA-N 0 0 515.576 4.677 50 0 KJAARN CC(C)CNC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213943 554204613 /nfs/dbraw/zinc/20/46/13/554204613.db2.gz WYSKMDAETAHQLU-JOCHJYFZSA-N 0 0 505.446 4.808 50 0 KJAARN CC(C)CNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213946 554204596 /nfs/dbraw/zinc/20/45/96/554204596.db2.gz WYSKMDAETAHQLU-QFIPXVFZSA-N 0 0 505.446 4.808 50 0 KJAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213978 554204822 /nfs/dbraw/zinc/20/48/22/554204822.db2.gz JJCPOPXBNADIPF-OPAMFIHVSA-N 0 0 505.446 4.951 50 0 KJAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213982 554204906 /nfs/dbraw/zinc/20/49/06/554204906.db2.gz JJCPOPXBNADIPF-KSFYIVLOSA-N 0 0 505.446 4.951 50 0 KJAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213985 554204854 /nfs/dbraw/zinc/20/48/54/554204854.db2.gz JJCPOPXBNADIPF-ZHRRBRCNSA-N 0 0 505.446 4.951 50 0 KJAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213988 554204869 /nfs/dbraw/zinc/20/48/69/554204869.db2.gz JJCPOPXBNADIPF-AOMKIAJQSA-N 0 0 505.446 4.951 50 0 KJAARN COc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(F)cc4)[C@@H]3C(=O)NCC(C)C)cc2)cc1 ZINC000036215403 554206543 /nfs/dbraw/zinc/20/65/43/554206543.db2.gz SHPJIFXRFHETLJ-UIOOFZCWSA-N 0 0 519.573 4.921 50 0 KJAARN COc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(F)cc4)[C@H]3C(=O)NCC(C)C)cc2)cc1 ZINC000036215405 554206550 /nfs/dbraw/zinc/20/65/50/554206550.db2.gz SHPJIFXRFHETLJ-FTJBHMTQSA-N 0 0 519.573 4.921 50 0 KJAARN COc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(F)cc4)[C@@H]3C(=O)NCC(C)C)cc2)cc1 ZINC000036215407 554206494 /nfs/dbraw/zinc/20/64/94/554206494.db2.gz SHPJIFXRFHETLJ-IZZNHLLZSA-N 0 0 519.573 4.921 50 0 KJAARN COc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(F)cc4)[C@H]3C(=O)NCC(C)C)cc2)cc1 ZINC000036215408 554206519 /nfs/dbraw/zinc/20/65/19/554206519.db2.gz SHPJIFXRFHETLJ-CLJLJLNGSA-N 0 0 519.573 4.921 50 0 KJAARN COc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(F)cc4)[C@H]3C(=O)NCC3CC3)cc2)cc1 ZINC000036215422 554206483 /nfs/dbraw/zinc/20/64/83/554206483.db2.gz QWNQNWQFRICFQS-CLJLJLNGSA-N 0 0 517.557 4.675 50 0 KJAARN COc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(F)cc4)[C@H]3C(=O)NCC3CC3)cc2)cc1 ZINC000036215425 554206553 /nfs/dbraw/zinc/20/65/53/554206553.db2.gz QWNQNWQFRICFQS-FTJBHMTQSA-N 0 0 517.557 4.675 50 0 KJAARN COc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(F)cc4)[C@@H]3C(=O)NCC3CC3)cc2)cc1 ZINC000036215427 554206456 /nfs/dbraw/zinc/20/64/56/554206456.db2.gz QWNQNWQFRICFQS-IZZNHLLZSA-N 0 0 517.557 4.675 50 0 KJAARN COc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(F)cc4)[C@@H]3C(=O)NCC3CC3)cc2)cc1 ZINC000036215429 554206504 /nfs/dbraw/zinc/20/65/04/554206504.db2.gz QWNQNWQFRICFQS-UIOOFZCWSA-N 0 0 517.557 4.675 50 0 KJAARN COc1cccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(C)cc4)[C@@H]3C(=O)NC(C)C)cc2)c1 ZINC000036216838 554207078 /nfs/dbraw/zinc/20/70/78/554207078.db2.gz GTHSGEGORDTTRE-UIOOFZCWSA-N 0 0 501.583 4.843 50 0 KJAARN COc1cccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(C)cc4)[C@H]3C(=O)NC(C)C)cc2)c1 ZINC000036216840 554207016 /nfs/dbraw/zinc/20/70/16/554207016.db2.gz GTHSGEGORDTTRE-FTJBHMTQSA-N 0 0 501.583 4.843 50 0 KJAARN COc1cccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(C)cc4)[C@@H]3C(=O)NC(C)C)cc2)c1 ZINC000036216842 554207033 /nfs/dbraw/zinc/20/70/33/554207033.db2.gz GTHSGEGORDTTRE-IZZNHLLZSA-N 0 0 501.583 4.843 50 0 KJAARN COc1cccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(C)cc4)[C@H]3C(=O)NC(C)C)cc2)c1 ZINC000036216844 554207075 /nfs/dbraw/zinc/20/70/75/554207075.db2.gz GTHSGEGORDTTRE-CLJLJLNGSA-N 0 0 501.583 4.843 50 0 KJAARN CCCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3cccc(OC)c3)cc2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036216855 554207057 /nfs/dbraw/zinc/20/70/57/554207057.db2.gz YGODNRZNCRPAMC-UIOOFZCWSA-N 0 0 501.583 4.844 50 0 KJAARN CCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3cccc(OC)c3)cc2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036216857 554207227 /nfs/dbraw/zinc/20/72/27/554207227.db2.gz YGODNRZNCRPAMC-FTJBHMTQSA-N 0 0 501.583 4.844 50 0 KJAARN CCCNC(=O)[C@@H]1[C@@H](c2ccc(NC(=O)c3cccc(OC)c3)cc2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036216859 554207198 /nfs/dbraw/zinc/20/71/98/554207198.db2.gz YGODNRZNCRPAMC-IZZNHLLZSA-N 0 0 501.583 4.844 50 0 KJAARN CCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)c3cccc(OC)c3)cc2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036216861 554207314 /nfs/dbraw/zinc/20/73/14/554207314.db2.gz YGODNRZNCRPAMC-CLJLJLNGSA-N 0 0 501.583 4.844 50 0 KJAARN COc1cccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(C)cc4)[C@@H]3C(=O)NCC3CC3)cc2)c1 ZINC000036216867 554207200 /nfs/dbraw/zinc/20/72/00/554207200.db2.gz DANUMCBBYKWUEY-SVBPBHIXSA-N 0 0 513.594 4.844 50 0 KJAARN COc1cccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4ccc(C)cc4)[C@H]3C(=O)NCC3CC3)cc2)c1 ZINC000036216869 554207327 /nfs/dbraw/zinc/20/73/27/554207327.db2.gz DANUMCBBYKWUEY-SXOMAYOGSA-N 0 0 513.594 4.844 50 0 KJAARN COc1cccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(C)cc4)[C@@H]3C(=O)NCC3CC3)cc2)c1 ZINC000036216870 554207217 /nfs/dbraw/zinc/20/72/17/554207217.db2.gz DANUMCBBYKWUEY-RRPNLBNLSA-N 0 0 513.594 4.844 50 0 KJAARN COc1cccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4ccc(C)cc4)[C@H]3C(=O)NCC3CC3)cc2)c1 ZINC000036216872 554207251 /nfs/dbraw/zinc/20/72/51/554207251.db2.gz DANUMCBBYKWUEY-KAYWLYCHSA-N 0 0 513.594 4.844 50 0 KJAARN COCCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036216890 554207256 /nfs/dbraw/zinc/20/72/56/554207256.db2.gz FGDNGBSDPUCOCW-DQEYMECFSA-N 0 0 522.001 4.725 50 0 KJAARN COCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036216892 554207193 /nfs/dbraw/zinc/20/71/93/554207193.db2.gz FGDNGBSDPUCOCW-RPBOFIJWSA-N 0 0 522.001 4.725 50 0 KJAARN COCCNC(=O)[C@@H]1[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036216893 554207232 /nfs/dbraw/zinc/20/72/32/554207232.db2.gz FGDNGBSDPUCOCW-LOSJGSFVSA-N 0 0 522.001 4.725 50 0 KJAARN COCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036216895 554207335 /nfs/dbraw/zinc/20/73/35/554207335.db2.gz FGDNGBSDPUCOCW-JWQCQUIFSA-N 0 0 522.001 4.725 50 0 KJAARN Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)NC[C@@H]2CCCO2)c1 ZINC000036217419 554207260 /nfs/dbraw/zinc/20/72/60/554207260.db2.gz QAHRMBOWTVDZOB-ZKMPZPQNSA-N 0 0 519.623 4.666 50 0 KJAARN Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)NC[C@@H]2CCCO2)c1 ZINC000036217421 554207185 /nfs/dbraw/zinc/20/71/85/554207185.db2.gz QAHRMBOWTVDZOB-ICDZXHCJSA-N 0 0 519.623 4.666 50 0 KJAARN Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccnc4)cc3)[C@H]2C(=O)NCc2ccco2)c1 ZINC000036217800 554207561 /nfs/dbraw/zinc/20/75/61/554207561.db2.gz QUNWJWHXIMGHPD-UIOOFZCWSA-N 0 0 510.550 4.614 50 0 KJAARN Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccnc4)cc3)[C@@H]2C(=O)NCc2ccco2)c1 ZINC000036217803 554207582 /nfs/dbraw/zinc/20/75/82/554207582.db2.gz QUNWJWHXIMGHPD-FTJBHMTQSA-N 0 0 510.550 4.614 50 0 KJAARN Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccnc4)cc3)[C@H]2C(=O)NCc2ccco2)c1 ZINC000036217805 554207522 /nfs/dbraw/zinc/20/75/22/554207522.db2.gz QUNWJWHXIMGHPD-IZZNHLLZSA-N 0 0 510.550 4.614 50 0 KJAARN Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccnc4)cc3)[C@@H]2C(=O)NCc2ccco2)c1 ZINC000036217807 554207530 /nfs/dbraw/zinc/20/75/30/554207530.db2.gz QUNWJWHXIMGHPD-CLJLJLNGSA-N 0 0 510.550 4.614 50 0 KJAARN O=C(Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCc2cccnc2)c1)c1ccccc1 ZINC000036218544 554208127 /nfs/dbraw/zinc/20/81/27/554208127.db2.gz JQIJGUWUGYJDFR-SVBPBHIXSA-N 0 0 506.562 4.712 50 0 KJAARN O=C(Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCc2cccnc2)c1)c1ccccc1 ZINC000036218547 554208092 /nfs/dbraw/zinc/20/80/92/554208092.db2.gz JQIJGUWUGYJDFR-SXOMAYOGSA-N 0 0 506.562 4.712 50 0 KJAARN O=C(Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCc2cccnc2)c1)c1ccccc1 ZINC000036218549 554208089 /nfs/dbraw/zinc/20/80/89/554208089.db2.gz JQIJGUWUGYJDFR-RRPNLBNLSA-N 0 0 506.562 4.712 50 0 KJAARN O=C(Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCc2cccnc2)c1)c1ccccc1 ZINC000036218550 554208036 /nfs/dbraw/zinc/20/80/36/554208036.db2.gz JQIJGUWUGYJDFR-KAYWLYCHSA-N 0 0 506.562 4.712 50 0 KJAARN COc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)NCC(C)C)c2)c1 ZINC000036218614 554208144 /nfs/dbraw/zinc/20/81/44/554208144.db2.gz OLRCIJMRBSNOGP-UIOOFZCWSA-N 0 0 501.583 4.782 50 0 KJAARN COc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@H]3C(=O)NCC(C)C)c2)c1 ZINC000036218615 554208096 /nfs/dbraw/zinc/20/80/96/554208096.db2.gz OLRCIJMRBSNOGP-FTJBHMTQSA-N 0 0 501.583 4.782 50 0 KJAARN COc1cccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)NCC(C)C)c2)c1 ZINC000036218616 554208134 /nfs/dbraw/zinc/20/81/34/554208134.db2.gz OLRCIJMRBSNOGP-IZZNHLLZSA-N 0 0 501.583 4.782 50 0 KJAARN COc1cccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccccc4)[C@H]3C(=O)NCC(C)C)c2)c1 ZINC000036218617 554208105 /nfs/dbraw/zinc/20/81/05/554208105.db2.gz OLRCIJMRBSNOGP-CLJLJLNGSA-N 0 0 501.583 4.782 50 0 KJAARN Cc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@H]3C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000036218743 554208041 /nfs/dbraw/zinc/20/80/41/554208041.db2.gz NKHNAVYVCXFJIT-VJGNERBWSA-N 0 0 513.594 4.605 50 0 KJAARN Cc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000036218745 554208282 /nfs/dbraw/zinc/20/82/82/554208282.db2.gz NKHNAVYVCXFJIT-QKDODKLFSA-N 0 0 513.594 4.605 50 0 KJAARN COc1ccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccc(C)cc4)[C@@H]3C(=O)NC(C)C)c2)cc1 ZINC000036218886 554208263 /nfs/dbraw/zinc/20/82/63/554208263.db2.gz PYBFDCFRXPDUHV-UIOOFZCWSA-N 0 0 501.583 4.843 50 0 KJAARN COc1ccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccc(C)cc4)[C@H]3C(=O)NC(C)C)c2)cc1 ZINC000036218887 554208210 /nfs/dbraw/zinc/20/82/10/554208210.db2.gz PYBFDCFRXPDUHV-FTJBHMTQSA-N 0 0 501.583 4.843 50 0 KJAARN COc1ccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccc(C)cc4)[C@@H]3C(=O)NC(C)C)c2)cc1 ZINC000036218889 554208223 /nfs/dbraw/zinc/20/82/23/554208223.db2.gz PYBFDCFRXPDUHV-IZZNHLLZSA-N 0 0 501.583 4.843 50 0 KJAARN COc1ccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccc(C)cc4)[C@H]3C(=O)NC(C)C)c2)cc1 ZINC000036218891 554208266 /nfs/dbraw/zinc/20/82/66/554208266.db2.gz PYBFDCFRXPDUHV-CLJLJLNGSA-N 0 0 501.583 4.843 50 0 KJAARN CCCNC(=O)[C@@H]1[C@H](c2cccc(NC(=O)c3ccc(OC)cc3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036218918 554208535 /nfs/dbraw/zinc/20/85/35/554208535.db2.gz NGZJNTRPRRYZDI-UIOOFZCWSA-N 0 0 501.583 4.844 50 0 KJAARN CCCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccc(OC)cc3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036218920 554208544 /nfs/dbraw/zinc/20/85/44/554208544.db2.gz NGZJNTRPRRYZDI-FTJBHMTQSA-N 0 0 501.583 4.844 50 0 KJAARN CCCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3ccc(OC)cc3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036218922 554208541 /nfs/dbraw/zinc/20/85/41/554208541.db2.gz NGZJNTRPRRYZDI-IZZNHLLZSA-N 0 0 501.583 4.844 50 0 KJAARN CCCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccc(OC)cc3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036218924 554208640 /nfs/dbraw/zinc/20/86/40/554208640.db2.gz NGZJNTRPRRYZDI-CLJLJLNGSA-N 0 0 501.583 4.844 50 0 KJAARN Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)Cc4ccccc4)c3)[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000036219317 554208765 /nfs/dbraw/zinc/20/87/65/554208765.db2.gz ALFFYJOFIYLMDY-PIZZNKLWSA-N 0 0 527.621 4.534 50 0 KJAARN Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)Cc4ccccc4)c3)[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000036219318 554208801 /nfs/dbraw/zinc/20/88/01/554208801.db2.gz ALFFYJOFIYLMDY-WIIGKZCBSA-N 0 0 527.621 4.534 50 0 KJAARN COCCNC(=O)[C@@H]1[C@H](c2cccc(NC(=O)c3cccc(Cl)c3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036219418 554208810 /nfs/dbraw/zinc/20/88/10/554208810.db2.gz LGOVEZYVNODQFZ-DQEYMECFSA-N 0 0 522.001 4.725 50 0 KJAARN COCCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)c3cccc(Cl)c3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036219420 554208822 /nfs/dbraw/zinc/20/88/22/554208822.db2.gz LGOVEZYVNODQFZ-RPBOFIJWSA-N 0 0 522.001 4.725 50 0 KJAARN COCCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3cccc(Cl)c3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036219422 554208807 /nfs/dbraw/zinc/20/88/07/554208807.db2.gz LGOVEZYVNODQFZ-LOSJGSFVSA-N 0 0 522.001 4.725 50 0 KJAARN COCCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3cccc(Cl)c3)c2)OC(=O)N1Cc1ccc(C)cc1 ZINC000036219424 554208755 /nfs/dbraw/zinc/20/87/55/554208755.db2.gz LGOVEZYVNODQFZ-JWQCQUIFSA-N 0 0 522.001 4.725 50 0 KJAARN Cc1ccccc1CN1C(=O)O[C@@H](c2ccc(NC(=O)c3ccco3)cc2)[C@H]1C(=O)NCc1ccccn1 ZINC000036220422 554209321 /nfs/dbraw/zinc/20/93/21/554209321.db2.gz TYWBUSWNDNJSPC-UIOOFZCWSA-N 0 0 510.550 4.614 50 0 KJAARN Cc1ccccc1CN1C(=O)O[C@@H](c2ccc(NC(=O)c3ccco3)cc2)[C@@H]1C(=O)NCc1ccccn1 ZINC000036220425 554209284 /nfs/dbraw/zinc/20/92/84/554209284.db2.gz TYWBUSWNDNJSPC-FTJBHMTQSA-N 0 0 510.550 4.614 50 0 KJAARN Cc1ccccc1CN1C(=O)O[C@H](c2ccc(NC(=O)c3ccco3)cc2)[C@H]1C(=O)NCc1ccccn1 ZINC000036220429 554209278 /nfs/dbraw/zinc/20/92/78/554209278.db2.gz TYWBUSWNDNJSPC-IZZNHLLZSA-N 0 0 510.550 4.614 50 0 KJAARN Cc1ccccc1CN1C(=O)O[C@H](c2ccc(NC(=O)c3ccco3)cc2)[C@@H]1C(=O)NCc1ccccn1 ZINC000036220432 554209326 /nfs/dbraw/zinc/20/93/26/554209326.db2.gz TYWBUSWNDNJSPC-CLJLJLNGSA-N 0 0 510.550 4.614 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4cccc(F)c4)[C@H]3C(=O)NCC3CC3)cc2)cc1 ZINC000036221019 554209504 /nfs/dbraw/zinc/20/95/04/554209504.db2.gz WTAPCKYLKBDSDV-CLJLJLNGSA-N 0 0 501.558 4.975 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4cccc(F)c4)[C@H]3C(=O)NCC3CC3)cc2)cc1 ZINC000036221021 554209466 /nfs/dbraw/zinc/20/94/66/554209466.db2.gz WTAPCKYLKBDSDV-FTJBHMTQSA-N 0 0 501.558 4.975 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4cccc(F)c4)[C@@H]3C(=O)NCC3CC3)cc2)cc1 ZINC000036221024 554209544 /nfs/dbraw/zinc/20/95/44/554209544.db2.gz WTAPCKYLKBDSDV-IZZNHLLZSA-N 0 0 501.558 4.975 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4cccc(F)c4)[C@@H]3C(=O)NCC3CC3)cc2)cc1 ZINC000036221026 554209514 /nfs/dbraw/zinc/20/95/14/554209514.db2.gz WTAPCKYLKBDSDV-UIOOFZCWSA-N 0 0 501.558 4.975 50 0 KJAARN Cc1c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000036221398 554209699 /nfs/dbraw/zinc/20/96/99/554209699.db2.gz AXMGHDKJKWNSPX-FRIZHTMISA-N 0 0 501.052 4.921 50 0 KJAARN COc1cc(CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1 ZINC000036247405 554209921 /nfs/dbraw/zinc/20/99/21/554209921.db2.gz YAPDTEARUOUINQ-UHFFFAOYSA-N 0 0 519.417 4.820 50 0 KJAARN O=C(c1ccc(Cl)cc1Cl)N1CCN([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250583 554210192 /nfs/dbraw/zinc/21/01/92/554210192.db2.gz XHSDSOSVOHVOAB-RUZDIDTESA-N 0 0 500.470 4.895 50 0 KJAARN O=C(c1ccc(Cl)cc1Cl)N1CCN([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250585 554210568 /nfs/dbraw/zinc/21/05/68/554210568.db2.gz XHSDSOSVOHVOAB-VWLOTQADSA-N 0 0 500.470 4.895 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N1CCN([C@@H](C(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252484 554210621 /nfs/dbraw/zinc/21/06/21/554210621.db2.gz UNKQTYDPRSAADG-XTEPFMGCSA-N 0 0 510.078 4.616 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N1CCN([C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252487 554210515 /nfs/dbraw/zinc/21/05/15/554210515.db2.gz UNKQTYDPRSAADG-IXCJQBJRSA-N 0 0 510.078 4.616 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N1CCN([C@H](C(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252491 554210509 /nfs/dbraw/zinc/21/05/09/554210509.db2.gz UNKQTYDPRSAADG-XCZPVHLTSA-N 0 0 510.078 4.616 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N1CCN([C@H](C(=O)N[C@@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252495 554210598 /nfs/dbraw/zinc/21/05/98/554210598.db2.gz UNKQTYDPRSAADG-IAPPQJPRSA-N 0 0 510.078 4.616 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000036255605 554210520 /nfs/dbraw/zinc/21/05/20/554210520.db2.gz ZHGCYDTZROKTTG-RUZDIDTESA-N 0 0 518.485 4.678 50 0 KJAARN COc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000036255608 554210648 /nfs/dbraw/zinc/21/06/48/554210648.db2.gz ZHGCYDTZROKTTG-VWLOTQADSA-N 0 0 518.485 4.678 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000036255611 554210536 /nfs/dbraw/zinc/21/05/36/554210536.db2.gz ZUBCDTUCGRFFHK-RUZDIDTESA-N 0 0 518.485 4.678 50 0 KJAARN COc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000036255613 554210503 /nfs/dbraw/zinc/21/05/03/554210503.db2.gz ZUBCDTUCGRFFHK-VWLOTQADSA-N 0 0 518.485 4.678 50 0 KJAARN COc1ccccc1CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036255668 554210592 /nfs/dbraw/zinc/21/05/92/554210592.db2.gz JNMADWPNONZDDG-NDEPHWFRSA-N 0 0 505.703 4.668 50 0 KJAARN COc1ccccc1CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036255669 554210822 /nfs/dbraw/zinc/21/08/22/554210822.db2.gz JNMADWPNONZDDG-MUUNZHRXSA-N 0 0 505.703 4.668 50 0 KJAARN COc1ccccc1CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036255716 554210906 /nfs/dbraw/zinc/21/09/06/554210906.db2.gz WDHDRYBSYYAOGB-RUZDIDTESA-N 0 0 518.485 4.678 50 0 KJAARN COc1ccccc1CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036255717 554210947 /nfs/dbraw/zinc/21/09/47/554210947.db2.gz WDHDRYBSYYAOGB-VWLOTQADSA-N 0 0 518.485 4.678 50 0 KJAARN COCCN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036301932 554211734 /nfs/dbraw/zinc/21/17/34/554211734.db2.gz GSXANKKXBURSKO-QHCPKHFHSA-N 0 0 506.018 5.000 50 0 KJAARN COCCN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000036301934 554211694 /nfs/dbraw/zinc/21/16/94/554211694.db2.gz GSXANKKXBURSKO-HSZRJFAPSA-N 0 0 506.018 5.000 50 0 KJAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CCOC)C[C@H](O)COC(C)C ZINC000036302667 554212802 /nfs/dbraw/zinc/21/28/02/554212802.db2.gz UDMPGQMHEWYTCY-QFIPXVFZSA-N 0 0 503.590 4.740 50 0 KJAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CCOC)C[C@@H](O)COC(C)C ZINC000036302669 554213043 /nfs/dbraw/zinc/21/30/43/554213043.db2.gz UDMPGQMHEWYTCY-JOCHJYFZSA-N 0 0 503.590 4.740 50 0 KJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CCOC)C[C@H](O)COCC(C)C ZINC000036302713 554212771 /nfs/dbraw/zinc/21/27/71/554212771.db2.gz FJXGZXFXWRPJJG-DEOSSOPVSA-N 0 0 511.663 4.718 50 0 KJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CCOC)C[C@@H](O)COCC(C)C ZINC000036302717 554212978 /nfs/dbraw/zinc/21/29/78/554212978.db2.gz FJXGZXFXWRPJJG-XMMPIXPASA-N 0 0 511.663 4.718 50 0 KJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036304020 554214041 /nfs/dbraw/zinc/21/40/41/554214041.db2.gz LHOWNXDBKZHCFQ-QHCPKHFHSA-N 0 0 503.590 4.733 50 0 KJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036304022 554213878 /nfs/dbraw/zinc/21/38/78/554213878.db2.gz LHOWNXDBKZHCFQ-HSZRJFAPSA-N 0 0 503.590 4.733 50 0 KJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036304038 554213956 /nfs/dbraw/zinc/21/39/56/554213956.db2.gz LDGKNWBGDYZPNM-QFIPXVFZSA-N 0 0 503.590 4.876 50 0 KJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036304041 554213759 /nfs/dbraw/zinc/21/37/59/554213759.db2.gz LDGKNWBGDYZPNM-JOCHJYFZSA-N 0 0 503.590 4.876 50 0 KJAARN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036304253 554214458 /nfs/dbraw/zinc/21/44/58/554214458.db2.gz UQDDDSGRTQNTFO-PKTZIBPZSA-N 0 0 501.574 4.630 50 0 KJAARN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036304255 554214466 /nfs/dbraw/zinc/21/44/66/554214466.db2.gz UQDDDSGRTQNTFO-GOTSBHOMSA-N 0 0 501.574 4.630 50 0 KJAARN COc1cc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1 ZINC000036311652 554218037 /nfs/dbraw/zinc/21/80/37/554218037.db2.gz QDOFQYQOGLFTEV-XMMPIXPASA-N 0 0 519.564 4.678 50 0 KJAARN COc1cc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1 ZINC000036311653 554218076 /nfs/dbraw/zinc/21/80/76/554218076.db2.gz QDOFQYQOGLFTEV-DEOSSOPVSA-N 0 0 519.564 4.678 50 0 KJAARN COc1cc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1 ZINC000036311654 554218062 /nfs/dbraw/zinc/21/80/62/554218062.db2.gz PYVACTUUFAHTPO-MHZLTWQESA-N 0 0 507.675 4.957 50 0 KJAARN COc1cc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1 ZINC000036311655 554218089 /nfs/dbraw/zinc/21/80/89/554218089.db2.gz PYVACTUUFAHTPO-HHHXNRCGSA-N 0 0 507.675 4.957 50 0 KJAARN COc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1OC ZINC000036311824 554218140 /nfs/dbraw/zinc/21/81/40/554218140.db2.gz IMNBELCNXTVQDV-MHZLTWQESA-N 0 0 507.675 4.957 50 0 KJAARN COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1OC ZINC000036311825 554217986 /nfs/dbraw/zinc/21/79/86/554217986.db2.gz IMNBELCNXTVQDV-HHHXNRCGSA-N 0 0 507.675 4.957 50 0 KJAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036311942 554218414 /nfs/dbraw/zinc/21/84/14/554218414.db2.gz HPDRMKJQBPVNFL-HSZRJFAPSA-N 0 0 504.414 4.677 50 0 KJAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036311943 554218404 /nfs/dbraw/zinc/21/84/04/554218404.db2.gz HPDRMKJQBPVNFL-QHCPKHFHSA-N 0 0 504.414 4.677 50 0 KJAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036311946 554218563 /nfs/dbraw/zinc/21/85/63/554218563.db2.gz SLDQOYPQAQHCJM-QHCPKHFHSA-N 0 0 504.414 4.677 50 0 KJAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036311947 554218573 /nfs/dbraw/zinc/21/85/73/554218573.db2.gz SLDQOYPQAQHCJM-HSZRJFAPSA-N 0 0 504.414 4.677 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000036311998 554218384 /nfs/dbraw/zinc/21/83/84/554218384.db2.gz IBPLTKPJOQJOKL-XMMPIXPASA-N 0 0 517.457 4.907 50 0 KJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000036311999 554218535 /nfs/dbraw/zinc/21/85/35/554218535.db2.gz IBPLTKPJOQJOKL-DEOSSOPVSA-N 0 0 517.457 4.907 50 0 KJAARN Cc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3cccc(Br)c3)CC2)cc1F ZINC000036312062 554218400 /nfs/dbraw/zinc/21/84/00/554218400.db2.gz YIJPGRFPIJKBLA-HSZRJFAPSA-N 0 0 502.428 4.852 50 0 KJAARN Cc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccc(Br)c3)CC2)cc1F ZINC000036312063 554218471 /nfs/dbraw/zinc/21/84/71/554218471.db2.gz YIJPGRFPIJKBLA-QHCPKHFHSA-N 0 0 502.428 4.852 50 0 KJAARN COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036312183 554218409 /nfs/dbraw/zinc/21/84/09/554218409.db2.gz GQUGTTYDOFATQX-UHFFFAOYSA-N 0 0 501.002 4.565 50 0 KJAARN CN1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2)CC1 ZINC000036312258 554218527 /nfs/dbraw/zinc/21/85/27/554218527.db2.gz VAPIZURCOYPYSF-QHCPKHFHSA-N 0 0 513.013 4.707 50 0 KJAARN CN1CCN(c2onc(-c3ccc(F)cc3)c2CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2)CC1 ZINC000036312260 554218508 /nfs/dbraw/zinc/21/85/08/554218508.db2.gz VAPIZURCOYPYSF-HSZRJFAPSA-N 0 0 513.013 4.707 50 0 KJAARN COc1ccc(C(=O)N(CCN2CCOCC2)Cc2c(-c3ccccc3)noc2N2CCCC[C@H]2C)cc1 ZINC000036312723 554218477 /nfs/dbraw/zinc/21/84/77/554218477.db2.gz GJIABIUXJQUWRL-HSZRJFAPSA-N 0 0 518.658 4.704 50 0 KJAARN COc1ccc(C(=O)N(CCN2CCOCC2)Cc2c(-c3ccccc3)noc2N2CCCC[C@@H]2C)cc1 ZINC000036312725 554218485 /nfs/dbraw/zinc/21/84/85/554218485.db2.gz GJIABIUXJQUWRL-QHCPKHFHSA-N 0 0 518.658 4.704 50 0 KJAARN C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)c1ccccc1F ZINC000036312740 554218436 /nfs/dbraw/zinc/21/84/36/554218436.db2.gz BCFAVORJADPWQD-JOCHJYFZSA-N 0 0 506.622 4.834 50 0 KJAARN C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)c1ccccc1F ZINC000036312742 554218452 /nfs/dbraw/zinc/21/84/52/554218452.db2.gz BCFAVORJADPWQD-QFIPXVFZSA-N 0 0 506.622 4.834 50 0 KJAARN C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)c1cccc(F)c1 ZINC000036312743 554218582 /nfs/dbraw/zinc/21/85/82/554218582.db2.gz HEHNGLSLIRFRNT-JOCHJYFZSA-N 0 0 506.622 4.834 50 0 KJAARN C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)c1cccc(F)c1 ZINC000036312745 554218500 /nfs/dbraw/zinc/21/85/00/554218500.db2.gz HEHNGLSLIRFRNT-QFIPXVFZSA-N 0 0 506.622 4.834 50 0 KJAARN COc1ccccc1C(=O)N(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C ZINC000036312753 554218855 /nfs/dbraw/zinc/21/88/55/554218855.db2.gz GETKZFOWFWGKGY-HSZRJFAPSA-N 0 0 518.658 4.704 50 0 KJAARN COc1ccccc1C(=O)N(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C ZINC000036312754 554219026 /nfs/dbraw/zinc/21/90/26/554219026.db2.gz GETKZFOWFWGKGY-QHCPKHFHSA-N 0 0 518.658 4.704 50 0 KJAARN COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000036312868 554218788 /nfs/dbraw/zinc/21/87/88/554218788.db2.gz AOCFTHYLPKHFRM-UHFFFAOYSA-N 0 0 516.017 4.957 50 0 KJAARN COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=S)Nc1ccc(F)cc1 ZINC000036312898 554218801 /nfs/dbraw/zinc/21/88/01/554218801.db2.gz XULUTOLIZWFPIF-UHFFFAOYSA-N 0 0 515.630 4.607 50 0 KJAARN Fc1ccc(NC(=S)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C[C@@H]2CCCO2)cc1 ZINC000036313358 554218864 /nfs/dbraw/zinc/21/88/64/554218864.db2.gz MOSFWOOUMKVRSB-FQEVSTJZSA-N 0 0 514.598 4.834 50 0 KJAARN Fc1ccc(NC(=S)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C[C@H]2CCCO2)cc1 ZINC000036313359 554218910 /nfs/dbraw/zinc/21/89/10/554218910.db2.gz MOSFWOOUMKVRSB-HXUWFJFHSA-N 0 0 514.598 4.834 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CCC(C)C)Cc2c(-c3ccccc3F)noc2N2CCOCC2)cc1 ZINC000036313365 554218961 /nfs/dbraw/zinc/21/89/61/554218961.db2.gz VIQXFHOWTIMZKC-UHFFFAOYSA-N 0 0 501.624 4.863 50 0 KJAARN CCCCOC[C@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313865 554219395 /nfs/dbraw/zinc/21/93/95/554219395.db2.gz LBJGFOWAMQXFSY-XMMPIXPASA-N 0 0 511.663 4.862 50 0 KJAARN CCCCOC[C@@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313866 554219229 /nfs/dbraw/zinc/21/92/29/554219229.db2.gz LBJGFOWAMQXFSY-DEOSSOPVSA-N 0 0 511.663 4.862 50 0 KJAARN COCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1cccc(Br)c1 ZINC000036314164 554219317 /nfs/dbraw/zinc/21/93/17/554219317.db2.gz CYGDDBWRVXOHHB-UHFFFAOYSA-N 0 0 514.420 4.538 50 0 KJAARN CCCC(=O)OC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316414 554219476 /nfs/dbraw/zinc/21/94/76/554219476.db2.gz FOALFEJQMVNGMI-HSZRJFAPSA-N 0 0 507.631 4.904 50 0 KJAARN CCCC(=O)OC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316415 554219482 /nfs/dbraw/zinc/21/94/82/554219482.db2.gz FOALFEJQMVNGMI-QHCPKHFHSA-N 0 0 507.631 4.904 50 0 KJAARN Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)n1 ZINC000036340220 554219832 /nfs/dbraw/zinc/21/98/32/554219832.db2.gz YUBHKUBCUPYHBM-QFIPXVFZSA-N 0 0 501.458 4.553 50 0 KJAARN Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)n1 ZINC000036340221 554219838 /nfs/dbraw/zinc/21/98/38/554219838.db2.gz YUBHKUBCUPYHBM-JOCHJYFZSA-N 0 0 501.458 4.553 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036341016 554220129 /nfs/dbraw/zinc/22/01/29/554220129.db2.gz RUTOEJDSXKCQGT-NDEPHWFRSA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036341017 554220230 /nfs/dbraw/zinc/22/02/30/554220230.db2.gz RUTOEJDSXKCQGT-MUUNZHRXSA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341028 554220193 /nfs/dbraw/zinc/22/01/93/554220193.db2.gz JXFUNGSMZRIATD-NDEPHWFRSA-N 0 0 533.072 4.853 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341029 554220254 /nfs/dbraw/zinc/22/02/54/554220254.db2.gz JXFUNGSMZRIATD-MUUNZHRXSA-N 0 0 533.072 4.853 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341044 554220639 /nfs/dbraw/zinc/22/06/39/554220639.db2.gz FABHRTHRDKJBBS-MHZLTWQESA-N 0 0 507.009 4.988 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341045 554220560 /nfs/dbraw/zinc/22/05/60/554220560.db2.gz FABHRTHRDKJBBS-HHHXNRCGSA-N 0 0 507.009 4.988 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341046 554220565 /nfs/dbraw/zinc/22/05/65/554220565.db2.gz DODYDYYJQHGNCX-NDEPHWFRSA-N 0 0 503.046 4.844 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341047 554220603 /nfs/dbraw/zinc/22/06/03/554220603.db2.gz DODYDYYJQHGNCX-MUUNZHRXSA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000036341122 554220598 /nfs/dbraw/zinc/22/05/98/554220598.db2.gz LLGGMXIXTTVBHY-MHZLTWQESA-N 0 0 507.009 4.988 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000036341123 554220618 /nfs/dbraw/zinc/22/06/18/554220618.db2.gz LLGGMXIXTTVBHY-HHHXNRCGSA-N 0 0 507.009 4.988 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341138 554220584 /nfs/dbraw/zinc/22/05/84/554220584.db2.gz RJPYTZUXLLGYJB-MHZLTWQESA-N 0 0 507.009 4.988 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341139 554220489 /nfs/dbraw/zinc/22/04/89/554220489.db2.gz RJPYTZUXLLGYJB-HHHXNRCGSA-N 0 0 507.009 4.988 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341140 554220589 /nfs/dbraw/zinc/22/05/89/554220589.db2.gz ZBQPTRCAVZZSPW-NDEPHWFRSA-N 0 0 503.046 4.844 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341141 554220521 /nfs/dbraw/zinc/22/05/21/554220521.db2.gz ZBQPTRCAVZZSPW-MUUNZHRXSA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000036341178 554220556 /nfs/dbraw/zinc/22/05/56/554220556.db2.gz VMNPKNVZSAYCDW-MHZLTWQESA-N 0 0 507.009 4.988 50 0 KJAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000036341179 554220552 /nfs/dbraw/zinc/22/05/52/554220552.db2.gz VMNPKNVZSAYCDW-HHHXNRCGSA-N 0 0 507.009 4.988 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036341180 554220531 /nfs/dbraw/zinc/22/05/31/554220531.db2.gz AYTGMQWQJOQKOS-NDEPHWFRSA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036341181 554220645 /nfs/dbraw/zinc/22/06/45/554220645.db2.gz AYTGMQWQJOQKOS-MUUNZHRXSA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000036341391 554220813 /nfs/dbraw/zinc/22/08/13/554220813.db2.gz KKHYJLRTSFLDGJ-MHZLTWQESA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000036341392 554220751 /nfs/dbraw/zinc/22/07/51/554220751.db2.gz KKHYJLRTSFLDGJ-HHHXNRCGSA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000036341681 554220784 /nfs/dbraw/zinc/22/07/84/554220784.db2.gz KRCIDFXVENYQJI-LJAQVGFWSA-N 0 0 530.644 4.960 50 0 KJAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000036341682 554220807 /nfs/dbraw/zinc/22/08/07/554220807.db2.gz KRCIDFXVENYQJI-GDLZYMKVSA-N 0 0 530.644 4.960 50 0 KJAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036341683 554220876 /nfs/dbraw/zinc/22/08/76/554220876.db2.gz HYVJMFBXQBTDIF-PMERELPUSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036341684 554220958 /nfs/dbraw/zinc/22/09/58/554220958.db2.gz HYVJMFBXQBTDIF-SSEXGKCCSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036341703 554221252 /nfs/dbraw/zinc/22/12/52/554221252.db2.gz HJPMEPPLXRFUDK-NDEPHWFRSA-N 0 0 533.072 4.853 50 0 KJAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036341705 554221121 /nfs/dbraw/zinc/22/11/21/554221121.db2.gz HJPMEPPLXRFUDK-MUUNZHRXSA-N 0 0 533.072 4.853 50 0 KJAARN O=C(CN1CCN(c2ccccc2F)CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341795 554221244 /nfs/dbraw/zinc/22/12/44/554221244.db2.gz RNKIYROFQRZSTQ-VWLOTQADSA-N 0 0 520.992 4.708 50 0 KJAARN O=C(CN1CCN(c2ccccc2F)CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341796 554221248 /nfs/dbraw/zinc/22/12/48/554221248.db2.gz RNKIYROFQRZSTQ-RUZDIDTESA-N 0 0 520.992 4.708 50 0 KJAARN O=C(CN1CCN(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341797 554221171 /nfs/dbraw/zinc/22/11/71/554221171.db2.gz AVNIUWWWVVVXST-SANMLTNESA-N 0 0 517.029 4.564 50 0 KJAARN O=C(CN1CCN(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341798 554221259 /nfs/dbraw/zinc/22/12/59/554221259.db2.gz AVNIUWWWVVVXST-AREMUKBSSA-N 0 0 517.029 4.564 50 0 KJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000036342156 554221543 /nfs/dbraw/zinc/22/15/43/554221543.db2.gz ZMBIWJFFBSVHSP-MUUNZHRXSA-N 0 0 512.654 4.668 50 0 KJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccccc1)C[C@@H](O)CN1CCOCC1 ZINC000036342157 554221626 /nfs/dbraw/zinc/22/16/26/554221626.db2.gz ZMBIWJFFBSVHSP-NDEPHWFRSA-N 0 0 512.654 4.668 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343288 554221856 /nfs/dbraw/zinc/22/18/56/554221856.db2.gz XEXNKJWSRVNWLT-SANMLTNESA-N 0 0 503.599 4.531 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000036343290 554221990 /nfs/dbraw/zinc/22/19/90/554221990.db2.gz XEXNKJWSRVNWLT-AREMUKBSSA-N 0 0 503.599 4.531 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000036343376 554221824 /nfs/dbraw/zinc/22/18/24/554221824.db2.gz OSKFBQLNEBREGQ-NDEPHWFRSA-N 0 0 516.617 4.651 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000036343378 554222029 /nfs/dbraw/zinc/22/20/29/554222029.db2.gz OSKFBQLNEBREGQ-MUUNZHRXSA-N 0 0 516.617 4.651 50 0 KJAARN COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000036343419 554221829 /nfs/dbraw/zinc/22/18/29/554221829.db2.gz HFMIIFMCGDVAIW-NDEPHWFRSA-N 0 0 516.617 4.651 50 0 KJAARN COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000036343420 554221804 /nfs/dbraw/zinc/22/18/04/554221804.db2.gz HFMIIFMCGDVAIW-MUUNZHRXSA-N 0 0 516.617 4.651 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000036343441 554222009 /nfs/dbraw/zinc/22/20/09/554222009.db2.gz ACIATYOOZTUCSG-LJAQVGFWSA-N 0 0 530.644 4.960 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000036343443 554221877 /nfs/dbraw/zinc/22/18/77/554221877.db2.gz ACIATYOOZTUCSG-GDLZYMKVSA-N 0 0 530.644 4.960 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343444 554221925 /nfs/dbraw/zinc/22/19/25/554221925.db2.gz QYYRHMWURZWELZ-PMERELPUSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343446 554221904 /nfs/dbraw/zinc/22/19/04/554221904.db2.gz QYYRHMWURZWELZ-SSEXGKCCSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccccc1C1=NN(C(=O)CN2CCN(c3ccccc3F)CC2)[C@H](c2ccccc2Cl)C1 ZINC000036343911 554222417 /nfs/dbraw/zinc/22/24/17/554222417.db2.gz HHBHYJFLHLRDGB-SANMLTNESA-N 0 0 507.009 4.988 50 0 KJAARN COc1ccccc1C1=NN(C(=O)CN2CCN(c3ccccc3F)CC2)[C@@H](c2ccccc2Cl)C1 ZINC000036343913 554222262 /nfs/dbraw/zinc/22/22/62/554222262.db2.gz HHBHYJFLHLRDGB-AREMUKBSSA-N 0 0 507.009 4.988 50 0 KJAARN COc1ccccc1C1=NN(C(=O)CN2CCN(Cc3ccccc3)CC2)[C@H](c2ccccc2Cl)C1 ZINC000036343915 554222319 /nfs/dbraw/zinc/22/23/19/554222319.db2.gz XHFAWPSGALPCNH-MHZLTWQESA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccccc1C1=NN(C(=O)CN2CCN(Cc3ccccc3)CC2)[C@@H](c2ccccc2Cl)C1 ZINC000036343917 554222420 /nfs/dbraw/zinc/22/24/20/554222420.db2.gz XHFAWPSGALPCNH-HHHXNRCGSA-N 0 0 503.046 4.844 50 0 KJAARN CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000036343955 554222437 /nfs/dbraw/zinc/22/24/37/554222437.db2.gz MPNFPCXWCWEPJO-NDEPHWFRSA-N 0 0 504.581 4.863 50 0 KJAARN CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000036343956 554222301 /nfs/dbraw/zinc/22/23/01/554222301.db2.gz MPNFPCXWCWEPJO-MUUNZHRXSA-N 0 0 504.581 4.863 50 0 KJAARN CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036343957 554222402 /nfs/dbraw/zinc/22/24/02/554222402.db2.gz KXVHAPZHPZISKL-LJAQVGFWSA-N 0 0 500.618 4.720 50 0 KJAARN CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036343958 554222310 /nfs/dbraw/zinc/22/23/10/554222310.db2.gz KXVHAPZHPZISKL-GDLZYMKVSA-N 0 0 500.618 4.720 50 0 KJAARN CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036344030 554222346 /nfs/dbraw/zinc/22/23/46/554222346.db2.gz AJHQTTPGPFHFSF-PMERELPUSA-N 0 0 512.654 4.589 50 0 KJAARN CCOc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036344031 554222440 /nfs/dbraw/zinc/22/24/40/554222440.db2.gz AJHQTTPGPFHFSF-SSEXGKCCSA-N 0 0 512.654 4.589 50 0 KJAARN CCOc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036344058 554222426 /nfs/dbraw/zinc/22/24/26/554222426.db2.gz WPHBEBZGRHCBAZ-PMERELPUSA-N 0 0 512.654 4.589 50 0 KJAARN CCOc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036344059 554222452 /nfs/dbraw/zinc/22/24/52/554222452.db2.gz WPHBEBZGRHCBAZ-SSEXGKCCSA-N 0 0 512.654 4.589 50 0 KJAARN CCOc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036344160 554222615 /nfs/dbraw/zinc/22/26/15/554222615.db2.gz BLTGWTBDJCBCCW-LJAQVGFWSA-N 0 0 512.654 4.589 50 0 KJAARN CCOc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000036344161 554222722 /nfs/dbraw/zinc/22/27/22/554222722.db2.gz BLTGWTBDJCBCCW-GDLZYMKVSA-N 0 0 512.654 4.589 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000036344200 554222719 /nfs/dbraw/zinc/22/27/19/554222719.db2.gz MHYSOCTVVDAZER-LJAQVGFWSA-N 0 0 530.644 4.960 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000036344201 554222640 /nfs/dbraw/zinc/22/26/40/554222640.db2.gz MHYSOCTVVDAZER-GDLZYMKVSA-N 0 0 530.644 4.960 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344202 554222574 /nfs/dbraw/zinc/22/25/74/554222574.db2.gz FRVYPZPQUCBEKS-PMERELPUSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344203 554222730 /nfs/dbraw/zinc/22/27/30/554222730.db2.gz FRVYPZPQUCBEKS-SSEXGKCCSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344226 554222674 /nfs/dbraw/zinc/22/26/74/554222674.db2.gz UGQNDTXGYIWJAP-NDEPHWFRSA-N 0 0 533.072 4.853 50 0 KJAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344227 554222600 /nfs/dbraw/zinc/22/26/00/554222600.db2.gz UGQNDTXGYIWJAP-MUUNZHRXSA-N 0 0 533.072 4.853 50 0 KJAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000036344349 554222946 /nfs/dbraw/zinc/22/29/46/554222946.db2.gz BSPBMVDCKMISFT-NDEPHWFRSA-N 0 0 516.617 4.651 50 0 KJAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000036344350 554223071 /nfs/dbraw/zinc/22/30/71/554223071.db2.gz BSPBMVDCKMISFT-MUUNZHRXSA-N 0 0 516.617 4.651 50 0 KJAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036344361 554223057 /nfs/dbraw/zinc/22/30/57/554223057.db2.gz ZZZXGUQMTQGSSN-PMERELPUSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036344362 554222932 /nfs/dbraw/zinc/22/29/32/554222932.db2.gz ZZZXGUQMTQGSSN-SSEXGKCCSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc(OC)c([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036344373 554223053 /nfs/dbraw/zinc/22/30/53/554223053.db2.gz QYIZQWXGJCNJMY-PMERELPUSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc(OC)c([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000036344374 554223030 /nfs/dbraw/zinc/22/30/30/554223030.db2.gz QYIZQWXGJCNJMY-SSEXGKCCSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344460 554222952 /nfs/dbraw/zinc/22/29/52/554222952.db2.gz DFGHHKCHKNJBQP-PMERELPUSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344461 554223108 /nfs/dbraw/zinc/22/31/08/554223108.db2.gz DFGHHKCHKNJBQP-SSEXGKCCSA-N 0 0 526.681 4.816 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344576 554223380 /nfs/dbraw/zinc/22/33/80/554223380.db2.gz BEFDUSMAJMYOAT-LJAQVGFWSA-N 0 0 500.618 4.951 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344577 554223353 /nfs/dbraw/zinc/22/33/53/554223353.db2.gz BEFDUSMAJMYOAT-GDLZYMKVSA-N 0 0 500.618 4.951 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344927 554223273 /nfs/dbraw/zinc/22/32/73/554223273.db2.gz HAFOFKRGTBZFJY-NDEPHWFRSA-N 0 0 516.617 4.651 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344928 554223357 /nfs/dbraw/zinc/22/33/57/554223357.db2.gz HAFOFKRGTBZFJY-MUUNZHRXSA-N 0 0 516.617 4.651 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344929 554223296 /nfs/dbraw/zinc/22/32/96/554223296.db2.gz RQMASLKPDSPUJX-LJAQVGFWSA-N 0 0 512.654 4.508 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344930 554223363 /nfs/dbraw/zinc/22/33/63/554223363.db2.gz RQMASLKPDSPUJX-GDLZYMKVSA-N 0 0 512.654 4.508 50 0 KJAARN COc1ccccc1C1=NN(C(=O)CN2CCN(Cc3ccccc3)CC2)[C@H](c2ccc(Cl)cc2)C1 ZINC000036345075 554223403 /nfs/dbraw/zinc/22/34/03/554223403.db2.gz WRYRQLJAHBMIOV-MHZLTWQESA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccccc1C1=NN(C(=O)CN2CCN(Cc3ccccc3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000036345076 554223374 /nfs/dbraw/zinc/22/33/74/554223374.db2.gz WRYRQLJAHBMIOV-HHHXNRCGSA-N 0 0 503.046 4.844 50 0 KJAARN COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000036345129 554223238 /nfs/dbraw/zinc/22/32/38/554223238.db2.gz ASTONUOJPPEKEE-LJAQVGFWSA-N 0 0 500.618 4.951 50 0 KJAARN COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000036345130 554223417 /nfs/dbraw/zinc/22/34/17/554223417.db2.gz ASTONUOJPPEKEE-GDLZYMKVSA-N 0 0 500.618 4.951 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)c(C)c1 ZINC000036345577 554223694 /nfs/dbraw/zinc/22/36/94/554223694.db2.gz VBDXDPWHFSKDFX-NDEPHWFRSA-N 0 0 510.638 4.528 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)c(C)c1 ZINC000036345578 554223635 /nfs/dbraw/zinc/22/36/35/554223635.db2.gz VBDXDPWHFSKDFX-MUUNZHRXSA-N 0 0 510.638 4.528 50 0 KJAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000036345595 554223705 /nfs/dbraw/zinc/22/37/05/554223705.db2.gz TYVOPWWNSGRTLY-NDEPHWFRSA-N 0 0 510.638 4.528 50 0 KJAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000036345596 554223679 /nfs/dbraw/zinc/22/36/79/554223679.db2.gz TYVOPWWNSGRTLY-MUUNZHRXSA-N 0 0 510.638 4.528 50 0 KJAARN COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000036345657 554223588 /nfs/dbraw/zinc/22/35/88/554223588.db2.gz QJAGVABSIWVYKM-LJAQVGFWSA-N 0 0 500.618 4.951 50 0 KJAARN COc1cccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000036345658 554223719 /nfs/dbraw/zinc/22/37/19/554223719.db2.gz QJAGVABSIWVYKM-GDLZYMKVSA-N 0 0 500.618 4.951 50 0 KJAARN COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000036345683 554223557 /nfs/dbraw/zinc/22/35/57/554223557.db2.gz BMXMGJFREZIDGB-LJAQVGFWSA-N 0 0 500.618 4.951 50 0 KJAARN COc1cccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000036345684 554223640 /nfs/dbraw/zinc/22/36/40/554223640.db2.gz BMXMGJFREZIDGB-GDLZYMKVSA-N 0 0 500.618 4.951 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345753 554223701 /nfs/dbraw/zinc/22/37/01/554223701.db2.gz FJIGOZFVHGSBLG-LJAQVGFWSA-N 0 0 500.618 4.951 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345754 554223631 /nfs/dbraw/zinc/22/36/31/554223631.db2.gz FJIGOZFVHGSBLG-GDLZYMKVSA-N 0 0 500.618 4.951 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345781 554223664 /nfs/dbraw/zinc/22/36/64/554223664.db2.gz QLKRFOLIBFFZHU-LJAQVGFWSA-N 0 0 530.644 4.960 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345782 554223585 /nfs/dbraw/zinc/22/35/85/554223585.db2.gz QLKRFOLIBFFZHU-GDLZYMKVSA-N 0 0 530.644 4.960 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345783 554223592 /nfs/dbraw/zinc/22/35/92/554223592.db2.gz WXLFVBLOUREFPX-PMERELPUSA-N 0 0 526.681 4.816 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345784 554223722 /nfs/dbraw/zinc/22/37/22/554223722.db2.gz WXLFVBLOUREFPX-SSEXGKCCSA-N 0 0 526.681 4.816 50 0 KJAARN CCOC(=O)c1ccccc1COCc1cc([C@H]2N[C@@H](C(=O)OC)Cc3c4ccccc4[nH]c32)ccc1OC ZINC000036368091 554224059 /nfs/dbraw/zinc/22/40/59/554224059.db2.gz CFGBQSLJZKRBDT-IXCJQBJRSA-N 0 0 528.605 4.847 50 0 biogenic KJAARN CCOC(=O)c1ccccc1COCc1cc([C@@H]2N[C@@H](C(=O)OC)Cc3c4ccccc4[nH]c32)ccc1OC ZINC000036368093 554224045 /nfs/dbraw/zinc/22/40/45/554224045.db2.gz CFGBQSLJZKRBDT-IAPPQJPRSA-N 0 0 528.605 4.847 50 0 biogenic KJAARN CCOC(=O)c1ccccc1COCc1cc([C@H]2N[C@H](C(=O)OC)Cc3c4ccccc4[nH]c32)ccc1OC ZINC000036368095 554224075 /nfs/dbraw/zinc/22/40/75/554224075.db2.gz CFGBQSLJZKRBDT-XTEPFMGCSA-N 0 0 528.605 4.847 50 0 biogenic KJAARN CCOC(=O)c1ccccc1COCc1cc([C@@H]2N[C@H](C(=O)OC)Cc3c4ccccc4[nH]c32)ccc1OC ZINC000036368097 554223989 /nfs/dbraw/zinc/22/39/89/554223989.db2.gz CFGBQSLJZKRBDT-XCZPVHLTSA-N 0 0 528.605 4.847 50 0 biogenic KJAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000036370272 554224208 /nfs/dbraw/zinc/22/42/08/554224208.db2.gz YGOKCQWUEUNOHN-MBSDFSHPSA-N 0 0 520.518 4.741 50 0 KJAARN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000036370273 554224314 /nfs/dbraw/zinc/22/43/14/554224314.db2.gz YGOKCQWUEUNOHN-JPYJTQIMSA-N 0 0 520.518 4.741 50 0 KJAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000036370274 554224229 /nfs/dbraw/zinc/22/42/29/554224229.db2.gz YGOKCQWUEUNOHN-FDDCHVKYSA-N 0 0 520.518 4.741 50 0 KJAARN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000036370275 554224350 /nfs/dbraw/zinc/22/43/50/554224350.db2.gz YGOKCQWUEUNOHN-WZONZLPQSA-N 0 0 520.518 4.741 50 0 KJAARN O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)CC1 ZINC000036380165 554224665 /nfs/dbraw/zinc/22/46/65/554224665.db2.gz KMKVOYKUISABSH-UHFFFAOYSA-N 0 0 500.958 4.739 50 0 KJAARN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000036380247 554224606 /nfs/dbraw/zinc/22/46/06/554224606.db2.gz UHHIVOAGOSKCQA-NJYVYQBISA-N 0 0 516.907 4.712 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(-c3nnc(SCC(=O)c4ccc5c(c4)OCCO5)n3C)c12 ZINC000036612109 554225756 /nfs/dbraw/zinc/22/57/56/554225756.db2.gz YBWRYWKNPXINGP-UHFFFAOYSA-N 0 0 512.595 4.579 50 0 KJAARN CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1O ZINC000036614492 554226333 /nfs/dbraw/zinc/22/63/33/554226333.db2.gz WFXDUSOWTDPMKL-QVAZZMNOSA-N 0 0 511.615 4.725 50 0 KJAARN COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000036707991 554230302 /nfs/dbraw/zinc/23/03/02/554230302.db2.gz ZJBMZTBPHKIFCV-HSZRJFAPSA-N 0 0 504.004 4.733 50 0 KJAARN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000036707992 554230359 /nfs/dbraw/zinc/23/03/59/554230359.db2.gz ZJBMZTBPHKIFCV-QHCPKHFHSA-N 0 0 504.004 4.733 50 0 KJAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000037242778 554231068 /nfs/dbraw/zinc/23/10/68/554231068.db2.gz PMFNNFMCELNYRP-MTTNDXRRSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000037242823 554231011 /nfs/dbraw/zinc/23/10/11/554231011.db2.gz GVFGORHLALSXTD-KQDYNHKDSA-N 0 0 511.615 4.638 50 0 biogenic KJAARN COc1ccc2c(c1)sc1nc(-c3cc(OC)ccc3OC)c(CN3CCN(C(=O)CC(C)C)CC3)n21 ZINC000037263841 554231310 /nfs/dbraw/zinc/23/13/10/554231310.db2.gz JIRDBRZSNDSMHI-UHFFFAOYSA-N 0 0 522.671 4.932 50 0 KJAARN NC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000037263966 554231475 /nfs/dbraw/zinc/23/14/75/554231475.db2.gz HYPKCMFHZQCIJU-RUZDIDTESA-N 0 0 506.990 4.986 50 0 KJAARN NC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H](c2ccc(F)cc2)SCC1=O ZINC000037263967 554231442 /nfs/dbraw/zinc/23/14/42/554231442.db2.gz HYPKCMFHZQCIJU-VWLOTQADSA-N 0 0 506.990 4.986 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@H](c2ccccc2F)SCC1=O ZINC000037264016 554231754 /nfs/dbraw/zinc/23/17/54/554231754.db2.gz IOUZJKFERDUVSC-VWLOTQADSA-N 0 0 524.662 4.549 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@@H](c2ccccc2F)SCC1=O ZINC000037264017 554231742 /nfs/dbraw/zinc/23/17/42/554231742.db2.gz IOUZJKFERDUVSC-RUZDIDTESA-N 0 0 524.662 4.549 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2)[C@H](c2cccs2)SCC1=O ZINC000037264062 554231860 /nfs/dbraw/zinc/23/18/60/554231860.db2.gz XSSMICPWQBZAHY-DEOSSOPVSA-N 0 0 526.728 4.862 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2)[C@@H](c2cccs2)SCC1=O ZINC000037264063 554231928 /nfs/dbraw/zinc/23/19/28/554231928.db2.gz XSSMICPWQBZAHY-XMMPIXPASA-N 0 0 526.728 4.862 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@H](c2cccs2)SCC1=O ZINC000037264068 554232084 /nfs/dbraw/zinc/23/20/84/554232084.db2.gz SLEZQQGBTHGLDZ-DEOSSOPVSA-N 0 0 526.728 4.862 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@@H](c2cccs2)SCC1=O ZINC000037264069 554232099 /nfs/dbraw/zinc/23/20/99/554232099.db2.gz SLEZQQGBTHGLDZ-XMMPIXPASA-N 0 0 526.728 4.862 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@H](c2ccsc2)SCC1=O ZINC000037264070 554232073 /nfs/dbraw/zinc/23/20/73/554232073.db2.gz OVBUDELJYQLSNG-DEOSSOPVSA-N 0 0 526.728 4.862 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@@H](c2ccsc2)SCC1=O ZINC000037264071 554232132 /nfs/dbraw/zinc/23/21/32/554232132.db2.gz OVBUDELJYQLSNG-XMMPIXPASA-N 0 0 526.728 4.862 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2cccs2)SCC1=O ZINC000037264080 554232088 /nfs/dbraw/zinc/23/20/88/554232088.db2.gz MLSWGDYSAWZHNM-HSZRJFAPSA-N 0 0 530.691 4.692 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2cccs2)SCC1=O ZINC000037264081 554232063 /nfs/dbraw/zinc/23/20/63/554232063.db2.gz MLSWGDYSAWZHNM-QHCPKHFHSA-N 0 0 530.691 4.692 50 0 KJAARN Cc1cccc([C@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)c1 ZINC000037264104 554232305 /nfs/dbraw/zinc/23/23/05/554232305.db2.gz ZMKRJSMTZLNAGH-HHHXNRCGSA-N 0 0 532.710 4.815 50 0 KJAARN Cc1cccc([C@@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)c1 ZINC000037264105 554232349 /nfs/dbraw/zinc/23/23/49/554232349.db2.gz ZMKRJSMTZLNAGH-MHZLTWQESA-N 0 0 532.710 4.815 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000037264124 554232353 /nfs/dbraw/zinc/23/23/53/554232353.db2.gz RXMOKGUEHCKQJP-AREMUKBSSA-N 0 0 518.683 4.935 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000037264125 554232342 /nfs/dbraw/zinc/23/23/42/554232342.db2.gz RXMOKGUEHCKQJP-SANMLTNESA-N 0 0 518.683 4.935 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCc2cccnc2)c2c1c(C(C)(C)C)nn2C(C)(C)C ZINC000037264146 554232569 /nfs/dbraw/zinc/23/25/69/554232569.db2.gz ADGPECBSSPYEDN-RUZDIDTESA-N 0 0 535.714 4.825 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCc2cccnc2)c2c1c(C(C)(C)C)nn2C(C)(C)C ZINC000037264147 554232583 /nfs/dbraw/zinc/23/25/83/554232583.db2.gz ADGPECBSSPYEDN-VWLOTQADSA-N 0 0 535.714 4.825 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@@H](c2cccs2)SCC1=O ZINC000037264162 554232579 /nfs/dbraw/zinc/23/25/79/554232579.db2.gz DTZBOXPEZMIFQW-HSZRJFAPSA-N 0 0 530.691 4.692 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@H](c2cccs2)SCC1=O ZINC000037264163 554232554 /nfs/dbraw/zinc/23/25/54/554232554.db2.gz DTZBOXPEZMIFQW-QHCPKHFHSA-N 0 0 530.691 4.692 50 0 KJAARN CCc1ccccc1OCC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NCCC(C)C)o1)C(=O)CO2 ZINC000037275010 554232713 /nfs/dbraw/zinc/23/27/13/554232713.db2.gz BXVLBABRESJJEF-UHFFFAOYSA-N 0 0 504.583 4.805 50 0 KJAARN Cc1cccc(C)c1OCC(=O)c1ccc2c(c1)N(CCCC(=O)NCc1ccc(F)cc1)C(=O)CO2 ZINC000037275409 554232727 /nfs/dbraw/zinc/23/27/27/554232727.db2.gz MONAOLPRTKSZQB-UHFFFAOYSA-N 0 0 504.558 4.526 50 0 KJAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2nc(C(=O)N4CCC(C)CC4)cs2)C(=O)CO3)c1 ZINC000037275432 554232822 /nfs/dbraw/zinc/23/28/22/554232822.db2.gz IRQVNCFNONJDKF-UHFFFAOYSA-N 0 0 519.623 4.511 50 0 KJAARN Cc1ccccc1OCC(=O)c1ccc2c(c1)N(Cc1nc(C(=O)N3CCC(C)CC3)cs1)C(=O)CO2 ZINC000037275444 554232796 /nfs/dbraw/zinc/23/27/96/554232796.db2.gz OSVYRTBCYDPGQT-UHFFFAOYSA-N 0 0 519.623 4.511 50 0 KJAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3ccccc3Cl)CC2)cc1OC ZINC000037276450 554232777 /nfs/dbraw/zinc/23/27/77/554232777.db2.gz XZZJXPLTVVBREA-UHFFFAOYSA-N 0 0 522.045 4.729 50 0 biogenic KJAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000037276466 554233086 /nfs/dbraw/zinc/23/30/86/554233086.db2.gz XPQFLPXZZJMHLJ-UHFFFAOYSA-N 0 0 522.045 4.729 50 0 biogenic KJAARN O=C(COc1ccc(Cl)cc1)NC1CCN(c2ccccc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000037277139 554233079 /nfs/dbraw/zinc/23/30/79/554233079.db2.gz FXBSJSVZKCMDTE-UHFFFAOYSA-N 0 0 504.030 4.703 50 0 KJAARN O=C(Cc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000037277311 554233009 /nfs/dbraw/zinc/23/30/09/554233009.db2.gz UWEKTXRRHWOUER-UHFFFAOYSA-N 0 0 517.073 4.630 50 0 KJAARN Cc1ccc(N2CCN(C(=O)c3ccccc3N3CCC(NC(=O)Cc4ccccc4)CC3)CC2)cc1C ZINC000037277317 554233104 /nfs/dbraw/zinc/23/31/04/554233104.db2.gz DQZRUFMBUFKIIJ-UHFFFAOYSA-N 0 0 510.682 4.594 50 0 KJAARN Cc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000037277498 554233326 /nfs/dbraw/zinc/23/33/26/554233326.db2.gz UIDJLEWREMPZOM-HHHXNRCGSA-N 0 0 503.668 4.750 50 0 KJAARN Cc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000037277501 554233374 /nfs/dbraw/zinc/23/33/74/554233374.db2.gz UIDJLEWREMPZOM-MHZLTWQESA-N 0 0 503.668 4.750 50 0 KJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037277503 554233372 /nfs/dbraw/zinc/23/33/72/554233372.db2.gz ZSIILQOAVYMSTL-SANMLTNESA-N 0 0 507.631 4.580 50 0 KJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037277506 554233297 /nfs/dbraw/zinc/23/32/97/554233297.db2.gz ZSIILQOAVYMSTL-AREMUKBSSA-N 0 0 507.631 4.580 50 0 KJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1)NCc1ccc2c(c1)OCO2 ZINC000037279287 554233305 /nfs/dbraw/zinc/23/33/05/554233305.db2.gz ILBZAYLGQHPQDV-UHFFFAOYSA-N 0 0 508.574 4.886 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccc(OC)cc3)C(=O)c3ccccc3)cc2)C1 ZINC000037279451 554233366 /nfs/dbraw/zinc/23/33/66/554233366.db2.gz OEIDFVIZCAIELE-AREMUKBSSA-N 0 0 514.622 4.886 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccc(OC)cc3)C(=O)c3ccccc3)cc2)C1 ZINC000037279453 554233286 /nfs/dbraw/zinc/23/32/86/554233286.db2.gz OEIDFVIZCAIELE-SANMLTNESA-N 0 0 514.622 4.886 50 0 KJAARN CCOC(=O)C1CCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3cccc(OC)c3)cc2)CC1 ZINC000037279481 554233290 /nfs/dbraw/zinc/23/32/90/554233290.db2.gz IBYAMBDIIQXCGE-UHFFFAOYSA-N 0 0 514.622 4.886 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3cccc(OC)c3)cc2)C1 ZINC000037279483 554233401 /nfs/dbraw/zinc/23/34/01/554233401.db2.gz HQACLSDALDAPFY-AREMUKBSSA-N 0 0 514.622 4.886 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)c3cccc(OC)c3)cc2)C1 ZINC000037279485 554233369 /nfs/dbraw/zinc/23/33/69/554233369.db2.gz HQACLSDALDAPFY-SANMLTNESA-N 0 0 514.622 4.886 50 0 KJAARN CCOC(=O)C1CCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)COc3ccccc3)cc2)CC1 ZINC000037279487 554233349 /nfs/dbraw/zinc/23/33/49/554233349.db2.gz SJSSNOAXPKLZNF-UHFFFAOYSA-N 0 0 514.622 4.643 50 0 KJAARN CN(Cc1ccccc1)c1nc2c(c(Oc3ccc(F)cc3)n1)CN(S(=O)(=O)c1ccccc1)CC2 ZINC000037280230 554233653 /nfs/dbraw/zinc/23/36/53/554233653.db2.gz JGDBSAFAXKPJCC-UHFFFAOYSA-N 0 0 504.587 4.791 50 0 KJAARN Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NC[C@@H]5CCCO5)co4)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037282044 554234143 /nfs/dbraw/zinc/23/41/43/554234143.db2.gz YLHLOAHBKMWALN-SETSBSEESA-N 0 0 531.653 4.991 50 0 KJAARN Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NC[C@@H]5CCCO5)co4)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037282046 554234155 /nfs/dbraw/zinc/23/41/55/554234155.db2.gz YLHLOAHBKMWALN-QCDSWUKFSA-N 0 0 531.653 4.991 50 0 KJAARN Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NC[C@H]5CCCO5)co4)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037282049 554234099 /nfs/dbraw/zinc/23/40/99/554234099.db2.gz YLHLOAHBKMWALN-FYBSXPHGSA-N 0 0 531.653 4.991 50 0 KJAARN Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NC[C@H]5CCCO5)co4)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037282051 554234215 /nfs/dbraw/zinc/23/42/15/554234215.db2.gz YLHLOAHBKMWALN-RNAHPLFWSA-N 0 0 531.653 4.991 50 0 KJAARN Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)N5CCOCC5)co4)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000037282269 554234512 /nfs/dbraw/zinc/23/45/12/554234512.db2.gz VVNHXIQDPWGIGG-GDLZYMKVSA-N 0 0 529.637 4.699 50 0 KJAARN Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)N5CCOCC5)co4)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000037282273 554234505 /nfs/dbraw/zinc/23/45/05/554234505.db2.gz VVNHXIQDPWGIGG-LJAQVGFWSA-N 0 0 529.637 4.699 50 0 KJAARN Cc1noc(C)c1CSc1nc2cc(S(=O)(=O)N3CCC[C@H](C)C3)ccc2n1C[C@H]1CCCO1 ZINC000037284928 554234615 /nfs/dbraw/zinc/23/46/15/554234615.db2.gz JMSLEPJRSIULRJ-QFBILLFUSA-N 0 0 504.678 4.533 50 0 KJAARN Cc1ccc(N2CCN(C(=O)c3ccccc3N3CCC(NC(=O)c4cccs4)CC3)CC2)cc1C ZINC000037288624 554234631 /nfs/dbraw/zinc/23/46/31/554234631.db2.gz DFMIOUHXGLDHRW-UHFFFAOYSA-N 0 0 502.684 4.726 50 0 KJAARN CCOC(=O)C1CCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3ccccc3OC)n2)CC1 ZINC000037357722 554234684 /nfs/dbraw/zinc/23/46/84/554234684.db2.gz NEAHJZJFWHRQII-UHFFFAOYSA-N 0 0 506.994 4.506 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3ccccc3OC)n2)C1 ZINC000037358099 554234689 /nfs/dbraw/zinc/23/46/89/554234689.db2.gz NBKMEFMOZVWOKG-MRXNPFEDSA-N 0 0 506.994 4.506 50 0 KJAARN CCOC(=O)[C@H]1CCCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3ccccc3OC)n2)C1 ZINC000037358103 554234778 /nfs/dbraw/zinc/23/47/78/554234778.db2.gz NBKMEFMOZVWOKG-INIZCTEOSA-N 0 0 506.994 4.506 50 0 KJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCCOc1ccccc1)nc2-c1ccc2c(c1)OCO2 ZINC000037360024 554235128 /nfs/dbraw/zinc/23/51/28/554235128.db2.gz VQHWBKVCFQPLLL-UHFFFAOYSA-N 0 0 500.946 4.938 50 0 KJAARN COc1ccc(-n2nc3nc(N4CCN(c5ccccc5)CC4)nc(-c4cccc(F)c4F)c3c2N)cc1 ZINC000037376066 554235448 /nfs/dbraw/zinc/23/54/48/554235448.db2.gz RBQVZOBYPMLXTO-UHFFFAOYSA-N 0 0 513.552 4.678 50 0 KJAARN Cn1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc(-c3ccc(F)c(Cl)c3)c2c1N ZINC000037376203 554235461 /nfs/dbraw/zinc/23/54/61/554235461.db2.gz YOMNMRFDOXKFFE-UHFFFAOYSA-N 0 0 505.907 4.750 50 0 KJAARN CCOC(=O)N1CCN(c2nc3nn(-c4ccc(F)cc4)c(N)c3c(-c3ccc(C(C)C)cc3)n2)CC1 ZINC000037376650 554235362 /nfs/dbraw/zinc/23/53/62/554235362.db2.gz QILZWNHWSSNRBP-UHFFFAOYSA-N 0 0 503.582 4.606 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000037377252 554235315 /nfs/dbraw/zinc/23/53/15/554235315.db2.gz WWMKCVRFOBSNPE-UHFFFAOYSA-N 0 0 500.622 4.887 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)Cc3ccc(OC)cc3)CC2)n1 ZINC000037377255 554235334 /nfs/dbraw/zinc/23/53/34/554235334.db2.gz MAFWCBBLCJCTPW-UHFFFAOYSA-N 0 0 516.621 4.506 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000037377283 554235417 /nfs/dbraw/zinc/23/54/17/554235417.db2.gz HEYLEXHLBOQTDW-UHFFFAOYSA-N 0 0 502.594 4.577 50 0 KJAARN CCC[C@@H](C)c1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)CCC(=O)OCC)CC2)n1 ZINC000037377319 554235296 /nfs/dbraw/zinc/23/52/96/554235296.db2.gz JKVXKMCZSCFULF-LJQANCHMSA-N 0 0 524.641 4.549 50 0 KJAARN CCC[C@H](C)c1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)CCC(=O)OCC)CC2)n1 ZINC000037377322 554235433 /nfs/dbraw/zinc/23/54/33/554235433.db2.gz JKVXKMCZSCFULF-IBGZPJMESA-N 0 0 524.641 4.549 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(c2nc3nn(-c4ccc(OC)cc4)c(N)c3c(-c3ccc(F)c(Cl)c3)n2)C1 ZINC000037377485 554235647 /nfs/dbraw/zinc/23/56/47/554235647.db2.gz CQLSFVXULNBCFJ-MRXNPFEDSA-N 0 0 524.984 4.645 50 0 KJAARN CCOC(=O)[C@H]1CCCN(c2nc3nn(-c4ccc(OC)cc4)c(N)c3c(-c3ccc(F)c(Cl)c3)n2)C1 ZINC000037377489 554235658 /nfs/dbraw/zinc/23/56/58/554235658.db2.gz CQLSFVXULNBCFJ-INIZCTEOSA-N 0 0 524.984 4.645 50 0 KJAARN COc1ccccc1N1CCN(c2nc3nn(C)c(N)c3c(-c3cccc(Oc4ccccc4)c3)n2)CC1 ZINC000037377554 554235679 /nfs/dbraw/zinc/23/56/79/554235679.db2.gz POXXFPBUMSCWRH-UHFFFAOYSA-N 0 0 507.598 4.740 50 0 KJAARN CCCCNC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037378171 554235936 /nfs/dbraw/zinc/23/59/36/554235936.db2.gz ZJNIPESYYCLGKD-UHFFFAOYSA-N 0 0 515.637 4.876 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)c3cc(OC)cc(OC)c3)CC2)n1 ZINC000037378584 554235929 /nfs/dbraw/zinc/23/59/29/554235929.db2.gz LEJKZTCSEIUKSC-UHFFFAOYSA-N 0 0 532.620 4.585 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccc(C)cc3)nc(N3CCCN(C(=O)C(C)C)CC3)c12 ZINC000037378788 554236212 /nfs/dbraw/zinc/23/62/12/554236212.db2.gz VSPXGDYERDXRMC-UHFFFAOYSA-N 0 0 500.622 4.857 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)COCc4ccccc4)CC3)c12 ZINC000037378818 554236145 /nfs/dbraw/zinc/23/61/45/554236145.db2.gz DNSKBPOGLBZNQJ-UHFFFAOYSA-N 0 0 530.648 4.717 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(C(=O)c4ccco4)CC3)c12 ZINC000037378852 554236195 /nfs/dbraw/zinc/23/61/95/554236195.db2.gz QGNVJSLROGPHMQ-UHFFFAOYSA-N 0 0 510.573 4.718 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)c4ccco4)CC3)c12 ZINC000037378865 554236178 /nfs/dbraw/zinc/23/61/78/554236178.db2.gz CNOLMYZEWMIIAM-UHFFFAOYSA-N 0 0 510.573 4.799 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000037378894 554236224 /nfs/dbraw/zinc/23/62/24/554236224.db2.gz APVZOQOUCAEHJA-UHFFFAOYSA-N 0 0 523.012 4.597 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(CC3CCCCC3)nc(N3CCN(C(=O)c4ccco4)CC3)c12 ZINC000037379244 554236422 /nfs/dbraw/zinc/23/64/22/554236422.db2.gz ASVQMTJSGBPXND-UHFFFAOYSA-N 0 0 502.594 4.941 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)CSc3ccccc3)CC2)n1 ZINC000037379338 554236430 /nfs/dbraw/zinc/23/64/30/554236430.db2.gz GZBXOARFCNOGRT-UHFFFAOYSA-N 0 0 504.635 4.656 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000037379356 554236385 /nfs/dbraw/zinc/23/63/85/554236385.db2.gz FXUVWNHWIJPGDX-UHFFFAOYSA-N 0 0 502.594 4.577 50 0 KJAARN CCCCNC(=O)N1CCN(c2nc(Cc3ccc(C)cc3)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037379368 554236331 /nfs/dbraw/zinc/23/63/31/554236331.db2.gz VWSMIYKANBSRFH-UHFFFAOYSA-N 0 0 515.637 4.794 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000037379397 554236360 /nfs/dbraw/zinc/23/63/60/554236360.db2.gz HCNXMEXYJKHCOJ-UHFFFAOYSA-N 0 0 500.622 4.887 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccccc3OC)CC2)n1 ZINC000037379411 554236728 /nfs/dbraw/zinc/23/67/28/554236728.db2.gz BDLUJVNEXNAMEE-UHFFFAOYSA-N 0 0 502.594 4.577 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)COc3ccccc3)CC2)n1 ZINC000037379433 554236731 /nfs/dbraw/zinc/23/67/31/554236731.db2.gz MKXMRTCAYKTOCH-UHFFFAOYSA-N 0 0 516.621 4.723 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCCN(C(=O)COc4ccccc4)CC3)c12 ZINC000037379629 554236878 /nfs/dbraw/zinc/23/68/78/554236878.db2.gz UHTNQFRBHKBCHO-UHFFFAOYSA-N 0 0 530.648 4.969 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)Cc4ccccc4)CC3)c12 ZINC000037379635 554236845 /nfs/dbraw/zinc/23/68/45/554236845.db2.gz HGGVTRRIYLVOKA-UHFFFAOYSA-N 0 0 520.612 4.745 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4cccs4)CC3)c12 ZINC000037379638 554236854 /nfs/dbraw/zinc/23/68/54/554236854.db2.gz QVIREFVGALAVOU-UHFFFAOYSA-N 0 0 512.614 4.878 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)CC(C)(C)C)CC3)c12 ZINC000037379647 554236889 /nfs/dbraw/zinc/23/68/89/554236889.db2.gz ADPRPSVDXBUDJX-UHFFFAOYSA-N 0 0 500.622 4.939 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4ccccc4F)CC3)c12 ZINC000037379654 554236916 /nfs/dbraw/zinc/23/69/16/554236916.db2.gz HLXYPLPZFOLQCQ-UHFFFAOYSA-N 0 0 524.575 4.955 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)C(C)(C)C)CC3)c12 ZINC000037379670 554236931 /nfs/dbraw/zinc/23/69/31/554236931.db2.gz ISFSVPRSFYDDOA-UHFFFAOYSA-N 0 0 500.622 4.939 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)COCc3ccccc3)CC2)n1 ZINC000037379821 554236954 /nfs/dbraw/zinc/23/69/54/554236954.db2.gz ZMMFXVHWKPAHQJ-UHFFFAOYSA-N 0 0 530.648 4.861 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c12 ZINC000037379919 554237225 /nfs/dbraw/zinc/23/72/25/554237225.db2.gz IKJPBESLECPLRR-UHFFFAOYSA-N 0 0 504.585 4.953 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)COc4ccccc4)CC3)c12 ZINC000037379931 554237274 /nfs/dbraw/zinc/23/72/74/554237274.db2.gz IPMHHOROFXAAKB-UHFFFAOYSA-N 0 0 516.621 4.579 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)c4ccccc4F)CC3)c12 ZINC000037379949 554237181 /nfs/dbraw/zinc/23/71/81/554237181.db2.gz NUZGHQANTVXSIQ-UHFFFAOYSA-N 0 0 504.585 4.953 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)Cc4cccs4)CC3)c12 ZINC000037380022 554237266 /nfs/dbraw/zinc/23/72/66/554237266.db2.gz LZOQCXJQWCGGGV-UHFFFAOYSA-N 0 0 526.641 4.807 50 0 KJAARN COc1cc(-c2noc(CCN(CCc3ccccc3)C(=O)c3ccc(C)cc3)n2)cc(OC)c1OC ZINC000037380332 554237562 /nfs/dbraw/zinc/23/75/62/554237562.db2.gz MUJHMNQNOZNGGY-UHFFFAOYSA-N 0 0 501.583 4.998 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)Cc4cccs4)CC3)c12 ZINC000037380532 554237506 /nfs/dbraw/zinc/23/75/06/554237506.db2.gz UMKJYEDSJQSJIS-UHFFFAOYSA-N 0 0 506.651 4.804 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCN(C(=O)c4cccc(F)c4)CC3)c12 ZINC000037380537 554237565 /nfs/dbraw/zinc/23/75/65/554237565.db2.gz YFBJBRUFSOXCQV-UHFFFAOYSA-N 0 0 504.585 4.953 50 0 KJAARN COc1cccc(-c2noc(CCN(CCc3ccc(OC)c(OC)c3)C(=O)COCc3ccccc3)n2)c1 ZINC000037380984 554237735 /nfs/dbraw/zinc/23/77/35/554237735.db2.gz QBZMNRMUYAKXSB-UHFFFAOYSA-N 0 0 531.609 4.593 50 0 KJAARN COc1ccc(CCN(CCc2nc(-c3ccc(OC)c(OC)c3)no2)C(=O)CC(C)(C)C)cc1OC ZINC000037381042 554237706 /nfs/dbraw/zinc/23/77/06/554237706.db2.gz FHFYOWNVXBEMOK-UHFFFAOYSA-N 0 0 511.619 4.821 50 0 KJAARN COc1ccc(CCN(CCc2nc(-c3ccc(N(C)C)cc3)no2)C(=O)c2cccc(F)c2)cc1OC ZINC000037381054 554237729 /nfs/dbraw/zinc/23/77/29/554237729.db2.gz HCVVVZYOIPECEL-UHFFFAOYSA-N 0 0 518.589 4.887 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c12 ZINC000037381095 554237710 /nfs/dbraw/zinc/23/77/10/554237710.db2.gz XUXGFVJSHOHITC-UHFFFAOYSA-N 0 0 524.575 4.955 50 0 KJAARN COc1ccc(-c2noc(CCN(CCc3ccc(OC)c(OC)c3)C(=O)COCc3ccccc3)n2)cc1 ZINC000037381348 554237739 /nfs/dbraw/zinc/23/77/39/554237739.db2.gz FJDQJTQYAFAOPQ-UHFFFAOYSA-N 0 0 531.609 4.593 50 0 KJAARN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCOCC3)c3ccc(C)cc3)c3ccccc32)cc1 ZINC000037381579 554237748 /nfs/dbraw/zinc/23/77/48/554237748.db2.gz VAWKZAHLXBAEPH-GDLZYMKVSA-N 0 0 511.666 4.977 50 0 KJAARN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCOCC3)c3ccc(C)cc3)c3ccccc32)cc1 ZINC000037381583 554237765 /nfs/dbraw/zinc/23/77/65/554237765.db2.gz VAWKZAHLXBAEPH-LJAQVGFWSA-N 0 0 511.666 4.977 50 0 KJAARN COc1ccc(CCN(CCc2nc(-c3ccc(OC)c(OC)c3)no2)C(=O)c2cccs2)cc1OC ZINC000037381901 554237912 /nfs/dbraw/zinc/23/79/12/554237912.db2.gz CATBYCBUQSBFKT-UHFFFAOYSA-N 0 0 523.611 4.760 50 0 KJAARN O=S(=O)(NCCNc1nc(-c2cccc(Br)c2)nc2ccccc21)c1ccc(F)cc1 ZINC000037382042 554238074 /nfs/dbraw/zinc/23/80/74/554238074.db2.gz YXFLJALJHOYQOL-UHFFFAOYSA-N 0 0 501.381 4.589 50 0 KJAARN CC[C@@H](C)NC(=O)CCN(CCCN1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000037382547 554237996 /nfs/dbraw/zinc/23/79/96/554237996.db2.gz SHIGWBMQVVGHNE-OAQYLSRUSA-N 0 0 510.082 4.784 50 0 KJAARN CC[C@H](C)NC(=O)CCN(CCCN1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000037382553 554237951 /nfs/dbraw/zinc/23/79/51/554237951.db2.gz SHIGWBMQVVGHNE-NRFANRHFSA-N 0 0 510.082 4.784 50 0 KJAARN C[C@H](NC(=O)CCN(CCCN1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000037382649 554237871 /nfs/dbraw/zinc/23/78/71/554237871.db2.gz SGMMOPAKBPSIHU-QHCPKHFHSA-N 0 0 513.642 4.686 50 0 KJAARN C[C@@H](NC(=O)CCN(CCCN1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000037382653 554237916 /nfs/dbraw/zinc/23/79/16/554237916.db2.gz SGMMOPAKBPSIHU-HSZRJFAPSA-N 0 0 513.642 4.686 50 0 KJAARN O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc21)NCc1ccccc1 ZINC000037383469 554238264 /nfs/dbraw/zinc/23/82/64/554238264.db2.gz FKKVLTZBTJUVGI-UHFFFAOYSA-N 0 0 527.644 4.671 50 0 KJAARN CC(C)CNC(=O)CCN(CCCN1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000037383489 554238311 /nfs/dbraw/zinc/23/83/11/554238311.db2.gz NYBBNUGUKXSWHJ-UHFFFAOYSA-N 0 0 510.082 4.641 50 0 KJAARN O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000037383561 554238298 /nfs/dbraw/zinc/23/82/98/554238298.db2.gz OMOMFLLDCIIRFC-UHFFFAOYSA-N 0 0 503.578 4.586 50 0 KJAARN COCCNC(=O)CCN(Cc1ccco1)c1nc(-c2cccc(Br)c2)nc2ccccc21 ZINC000037384477 554238523 /nfs/dbraw/zinc/23/85/23/554238523.db2.gz QCNOOYLPPCZASJ-UHFFFAOYSA-N 0 0 509.404 4.812 50 0 KJAARN O=C(CCN(CCCN1CCOCC1)c1nc(-c2cccs2)nc2ccccc21)NCc1ccccc1 ZINC000037384642 554238529 /nfs/dbraw/zinc/23/85/29/554238529.db2.gz COSYPAWTAOHRNC-UHFFFAOYSA-N 0 0 515.683 4.594 50 0 KJAARN COCCN(CCC(=O)N1CCN(c2ccccc2F)CC1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037384653 554238808 /nfs/dbraw/zinc/23/88/08/554238808.db2.gz WNFMCZBAIBOPHE-UHFFFAOYSA-N 0 0 519.646 4.689 50 0 KJAARN CCN1CCN(C(=O)c2ccc(CSc3nnc(-c4ccco4)n3-c3ccccc3OC)cc2)CC1 ZINC000037397721 554240001 /nfs/dbraw/zinc/24/00/01/554240001.db2.gz GNAFJRLWCVXHQI-UHFFFAOYSA-N 0 0 503.628 4.606 50 0 KJAARN COCCNC(=O)c1ccc(CSc2nnc(-c3cccc(OC)c3)n2-c2ccc(OC)cc2)cc1 ZINC000037397755 554240064 /nfs/dbraw/zinc/24/00/64/554240064.db2.gz MKNVQPOZQVPCTF-UHFFFAOYSA-N 0 0 504.612 4.620 50 0 KJAARN COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000037397761 554240041 /nfs/dbraw/zinc/24/00/41/554240041.db2.gz LRTZAVCVEXVZSA-UHFFFAOYSA-N 0 0 500.624 4.631 50 0 KJAARN CCN1CCN(C(=O)c2ccc(CSc3nnc(-c4ccncc4)n3-c3ccc(F)cc3)cc2)CC1 ZINC000037397871 554240310 /nfs/dbraw/zinc/24/03/10/554240310.db2.gz YROZAOHUWWJGEO-UHFFFAOYSA-N 0 0 502.619 4.538 50 0 KJAARN O=C(NCCN1CCOCC1)[C@H](c1ccccc1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398012 554240328 /nfs/dbraw/zinc/24/03/28/554240328.db2.gz FOXOPUMPFCWBLS-MHZLTWQESA-N 0 0 523.464 4.972 50 0 KJAARN O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398013 554240244 /nfs/dbraw/zinc/24/02/44/554240244.db2.gz FOXOPUMPFCWBLS-HHHXNRCGSA-N 0 0 523.464 4.972 50 0 KJAARN COc1cccc(-c2nnc(SCc3ccc(C(=O)N4CCN(C)CC4)cc3)n2-c2ccc(F)cc2)c1 ZINC000037398513 554240817 /nfs/dbraw/zinc/24/08/17/554240817.db2.gz IYYPVQRSXLKLLR-UHFFFAOYSA-N 0 0 517.630 4.762 50 0 KJAARN COc1cccc(-c2nnc(SCc3ccc(C(=O)N4CCN(C)CC4)cc3)n2-c2cccc(C)c2)c1 ZINC000037398529 554240854 /nfs/dbraw/zinc/24/08/54/554240854.db2.gz CNXREAGIDNAQIV-UHFFFAOYSA-N 0 0 513.667 4.931 50 0 KJAARN COc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000037398549 554240772 /nfs/dbraw/zinc/24/07/72/554240772.db2.gz IUWZCROMTZHCRY-UHFFFAOYSA-N 0 0 500.624 4.631 50 0 KJAARN COc1ccccc1-n1c(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)nnc1-c1ccc(C)cc1 ZINC000037398591 554240876 /nfs/dbraw/zinc/24/08/76/554240876.db2.gz MKOQLWUXQBJHEB-UHFFFAOYSA-N 0 0 513.667 4.931 50 0 KJAARN COc1ccc(-n2c(SCc3ccc(C(=O)NCc4ccncc4)cc3)nnc2-c2ccncc2)cc1 ZINC000037398824 554241123 /nfs/dbraw/zinc/24/11/23/554241123.db2.gz BMQONPZHBYBTOK-UHFFFAOYSA-N 0 0 508.607 4.955 50 0 KJAARN COc1ccc(-n2c(C)nnc2SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)cc1 ZINC000037398827 554241192 /nfs/dbraw/zinc/24/11/92/554241192.db2.gz ANGVTWLZWICGOG-UHFFFAOYSA-N 0 0 517.630 4.978 50 0 KJAARN COc1cccc(-c2nnc(SCc3ccc(C(=O)N4CCOCC4)cc3)n2-c2ccc(F)cc2)c1 ZINC000037398991 554241109 /nfs/dbraw/zinc/24/11/09/554241109.db2.gz YUTLHNKIXZYHNV-UHFFFAOYSA-N 0 0 504.587 4.847 50 0 KJAARN COCc1nc(C)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1Cc1c(F)cccc1Cl ZINC000037399222 554241513 /nfs/dbraw/zinc/24/15/13/554241513.db2.gz BKASVDCGOJMBRK-UHFFFAOYSA-N 0 0 503.405 4.931 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000037399291 554241334 /nfs/dbraw/zinc/24/13/34/554241334.db2.gz IDYSCLHBXQOHTB-UHFFFAOYSA-N 0 0 512.029 4.913 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(=O)c3ccccc3F)c2)cc1 ZINC000037400083 554241722 /nfs/dbraw/zinc/24/17/22/554241722.db2.gz RNYXMVOCASILSR-UHFFFAOYSA-N 0 0 522.554 4.987 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CN(Cc3ccco3)C(=O)c3cccc(F)c3)c2)cc1 ZINC000037400085 554241677 /nfs/dbraw/zinc/24/16/77/554241677.db2.gz XASYLNVLMDZCEZ-UHFFFAOYSA-N 0 0 522.554 4.987 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037400271 554241975 /nfs/dbraw/zinc/24/19/75/554241975.db2.gz HDIRSXJEBFUKSC-QFIPXVFZSA-N 0 0 517.550 4.563 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037400274 554242051 /nfs/dbraw/zinc/24/20/51/554242051.db2.gz HDIRSXJEBFUKSC-JOCHJYFZSA-N 0 0 517.550 4.563 50 0 KJAARN COc1ccc(S(=O)(=O)Oc2cc(CN(CC(C)C)C(=O)c3cccc(F)c3)ccc2OC)cc1 ZINC000037400328 554241962 /nfs/dbraw/zinc/24/19/62/554241962.db2.gz QUVPTFFSXLRJEQ-UHFFFAOYSA-N 0 0 501.576 4.909 50 0 KJAARN COc1ccccc1NC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000037400383 554242011 /nfs/dbraw/zinc/24/20/11/554242011.db2.gz MNALHUVRYZZJGB-NRFANRHFSA-N 0 0 514.575 4.815 50 0 KJAARN COc1ccccc1NC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000037400386 554242016 /nfs/dbraw/zinc/24/20/16/554242016.db2.gz MNALHUVRYZZJGB-OAQYLSRUSA-N 0 0 514.575 4.815 50 0 KJAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3Cl)cc2)cc1 ZINC000037400996 554242078 /nfs/dbraw/zinc/24/20/78/554242078.db2.gz SCHHLYKLCBTTHA-QFIPXVFZSA-N 0 0 516.015 4.938 50 0 KJAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3Cl)cc2)cc1 ZINC000037400999 554242124 /nfs/dbraw/zinc/24/21/24/554242124.db2.gz SCHHLYKLCBTTHA-JOCHJYFZSA-N 0 0 516.015 4.938 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)c2cccs2)cc1 ZINC000037401204 554242139 /nfs/dbraw/zinc/24/21/39/554242139.db2.gz BYIOAWGABXKHJA-UHFFFAOYSA-N 0 0 510.593 4.910 50 0 KJAARN COc1ccc(CN(C(=O)c2ccccc2F)C(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037401261 554242111 /nfs/dbraw/zinc/24/21/11/554242111.db2.gz FKKFDVLMUMKWPL-UHFFFAOYSA-N 0 0 514.575 4.611 50 0 KJAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)CC(C)(C)C ZINC000037401267 554242216 /nfs/dbraw/zinc/24/22/16/554242216.db2.gz JRIRMDBBBIUAMI-GOSISDBHSA-N 0 0 504.649 4.985 50 0 KJAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)CC(C)(C)C ZINC000037401269 554242200 /nfs/dbraw/zinc/24/22/00/554242200.db2.gz JRIRMDBBBIUAMI-SFHVURJKSA-N 0 0 504.649 4.985 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037401316 554242152 /nfs/dbraw/zinc/24/21/52/554242152.db2.gz OUGPGTJAPLCZQO-FQEVSTJZSA-N 0 0 517.550 4.563 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037401319 554242210 /nfs/dbraw/zinc/24/22/10/554242210.db2.gz OUGPGTJAPLCZQO-HXUWFJFHSA-N 0 0 517.550 4.563 50 0 KJAARN CCS(=O)(=O)Oc1cc(CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2OC)ccc1OC ZINC000037401481 554242493 /nfs/dbraw/zinc/24/24/93/554242493.db2.gz MCCYCLCWEQONTL-UHFFFAOYSA-N 0 0 502.564 4.806 50 0 KJAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)NC(C)(C)C ZINC000037401485 554242530 /nfs/dbraw/zinc/24/25/30/554242530.db2.gz UUTFBZRAFOOYSY-QGZVFWFLSA-N 0 0 505.637 4.530 50 0 KJAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)NC(C)(C)C ZINC000037401487 554242429 /nfs/dbraw/zinc/24/24/29/554242429.db2.gz UUTFBZRAFOOYSY-KRWDZBQOSA-N 0 0 505.637 4.530 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)c2ccccc2F)cc1 ZINC000037403145 554242474 /nfs/dbraw/zinc/24/24/74/554242474.db2.gz RWZWKALXDLNFDO-UHFFFAOYSA-N 0 0 522.554 4.987 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2CN(Cc2ccco2)C(=O)c2cccc(F)c2)cc1 ZINC000037403149 554242646 /nfs/dbraw/zinc/24/26/46/554242646.db2.gz XPQZZUNEFQMYNX-UHFFFAOYSA-N 0 0 522.554 4.987 50 0 KJAARN COc1ccc(CN(Cc2ccco2)C(=O)CC(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037403193 554242610 /nfs/dbraw/zinc/24/26/10/554242610.db2.gz SAZNPUHURBHLRB-UHFFFAOYSA-N 0 0 514.600 4.589 50 0 KJAARN COc1ccc(CN(Cc2ccco2)C(=O)CC(C)(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037403196 554242637 /nfs/dbraw/zinc/24/26/37/554242637.db2.gz HCGXSEKYTZUGLV-UHFFFAOYSA-N 0 0 528.627 4.979 50 0 KJAARN COc1ccc(CN(C(=O)c2cccc(F)c2)C(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037403202 554242614 /nfs/dbraw/zinc/24/26/14/554242614.db2.gz KWTSYSUMUFZWIB-UHFFFAOYSA-N 0 0 514.575 4.611 50 0 KJAARN COc1ccc(CN(Cc2ccc(F)cc2)C(=O)NC(C)C)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037403220 554242659 /nfs/dbraw/zinc/24/26/59/554242659.db2.gz OWPNHJBOPADIMU-UHFFFAOYSA-N 0 0 504.555 4.861 50 0 KJAARN CCNC(=O)[C@]1(OCc2cccc(Cl)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2c(F)cccc2F)C1 ZINC000037403675 554242685 /nfs/dbraw/zinc/24/26/85/554242685.db2.gz IEUGDJWLFXEKLB-KWNHSTDBSA-N 0 0 509.977 4.909 50 0 KJAARN CCNC(=O)[C@]1(OCc2cccc(Cl)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2c(F)cccc2F)C1 ZINC000037403678 554242634 /nfs/dbraw/zinc/24/26/34/554242634.db2.gz IEUGDJWLFXEKLB-DUOVIKOCSA-N 0 0 509.977 4.909 50 0 KJAARN CC(C)NC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2c(F)cccc2F)C1 ZINC000037419993 554242612 /nfs/dbraw/zinc/24/26/12/554242612.db2.gz WMISTZCLFPLJJG-CHQSNSNVSA-N 0 0 507.549 4.783 50 0 KJAARN CC(C)NC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2c(F)cccc2F)C1 ZINC000037419997 554242640 /nfs/dbraw/zinc/24/26/40/554242640.db2.gz WMISTZCLFPLJJG-AALWMKDKSA-N 0 0 507.549 4.783 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NC3CC3)C[C@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000037420001 554242632 /nfs/dbraw/zinc/24/26/32/554242632.db2.gz WIIUOWLHGHHKHB-AALWMKDKSA-N 0 0 503.998 4.912 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NC3CC3)C[C@@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000037420005 554242604 /nfs/dbraw/zinc/24/26/04/554242604.db2.gz WIIUOWLHGHHKHB-CHQSNSNVSA-N 0 0 503.998 4.912 50 0 KJAARN COc1ccc(CN(C(=O)c2cccs2)C(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037420038 554242653 /nfs/dbraw/zinc/24/26/53/554242653.db2.gz AQLTVLCAURBYEV-UHFFFAOYSA-N 0 0 502.614 4.534 50 0 KJAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)c1cccs1 ZINC000037420044 554242624 /nfs/dbraw/zinc/24/26/24/554242624.db2.gz JBTDZDJKOHPJNX-QGZVFWFLSA-N 0 0 516.641 4.924 50 0 KJAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)c1cccs1 ZINC000037420047 554242680 /nfs/dbraw/zinc/24/26/80/554242680.db2.gz JBTDZDJKOHPJNX-KRWDZBQOSA-N 0 0 516.641 4.924 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3)(C(=O)NC3CC3)C[C@H](OCc3c(F)cccc3F)[C@@H]2O1 ZINC000037420379 554242689 /nfs/dbraw/zinc/24/26/89/554242689.db2.gz QVFPITYZJQKKNH-AALWMKDKSA-N 0 0 505.533 4.537 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3)(C(=O)NC3CC3)C[C@@H](OCc3c(F)cccc3F)[C@@H]2O1 ZINC000037420384 554242643 /nfs/dbraw/zinc/24/26/43/554242643.db2.gz QVFPITYZJQKKNH-CHQSNSNVSA-N 0 0 505.533 4.537 50 0 KJAARN Cc1cccc(CO[C@@]2(C(=O)NCC3CC3)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3c(F)cccc3F)C2)c1 ZINC000037421150 554242930 /nfs/dbraw/zinc/24/29/30/554242930.db2.gz FWEWPRFRWGDVJJ-NANFOGFDSA-N 0 0 515.597 4.954 50 0 KJAARN Cc1cccc(CO[C@@]2(C(=O)NCC3CC3)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3c(F)cccc3F)C2)c1 ZINC000037421154 554242888 /nfs/dbraw/zinc/24/28/88/554242888.db2.gz FWEWPRFRWGDVJJ-XWDJFTLGSA-N 0 0 515.597 4.954 50 0 KJAARN CC(C)NC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(F)c2F)C1 ZINC000037421337 554243188 /nfs/dbraw/zinc/24/31/88/554243188.db2.gz BIDUBSAAEBYKPD-FQUWXVCBSA-N 0 0 507.549 4.783 50 0 KJAARN CC(C)NC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(F)c2F)C1 ZINC000037421340 554243210 /nfs/dbraw/zinc/24/32/10/554243210.db2.gz BIDUBSAAEBYKPD-FVBVUHMPSA-N 0 0 507.549 4.783 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(Cc2ccco2)C(=O)NC(C)C)cc1 ZINC000037422573 554243460 /nfs/dbraw/zinc/24/34/60/554243460.db2.gz IESNTWJVMAVLRT-UHFFFAOYSA-N 0 0 520.007 4.779 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(CC(C)C)C(=O)c2ccco2)cc1 ZINC000037422581 554243450 /nfs/dbraw/zinc/24/34/50/554243450.db2.gz YAQGDQBKSNUCQE-UHFFFAOYSA-N 0 0 504.992 4.958 50 0 KJAARN CCNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccccc2)C1 ZINC000037422703 554243520 /nfs/dbraw/zinc/24/35/20/554243520.db2.gz XLSXXQPZBBHZBJ-KWNHSTDBSA-N 0 0 507.549 4.996 50 0 KJAARN CCNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccccc2)C1 ZINC000037422706 554243447 /nfs/dbraw/zinc/24/34/47/554243447.db2.gz XLSXXQPZBBHZBJ-DUOVIKOCSA-N 0 0 507.549 4.996 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000037423084 554243483 /nfs/dbraw/zinc/24/34/83/554243483.db2.gz LTKZAWKTJLXGRT-UHFFFAOYSA-N 0 0 504.967 4.754 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(Cc2ccco2)C(=O)C(C)C)cc1 ZINC000037423890 554243946 /nfs/dbraw/zinc/24/39/46/554243946.db2.gz BGRKUQKHGPQRAI-UHFFFAOYSA-N 0 0 504.992 4.844 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(C[C@@H]2CCCO2)C(=O)CC(C)C)cc1 ZINC000037424023 554243980 /nfs/dbraw/zinc/24/39/80/554243980.db2.gz UPSPNZDSGQZOHX-QFIPXVFZSA-N 0 0 523.051 4.620 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(C[C@H]2CCCO2)C(=O)CC(C)C)cc1 ZINC000037424026 554243989 /nfs/dbraw/zinc/24/39/89/554243989.db2.gz UPSPNZDSGQZOHX-JOCHJYFZSA-N 0 0 523.051 4.620 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(Cc2ccco2)C(=O)C2CCC2)cc1 ZINC000037424103 554244247 /nfs/dbraw/zinc/24/42/47/554244247.db2.gz GTHGOUNJLVOILS-UHFFFAOYSA-N 0 0 517.003 4.988 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2C)[C@H](c2cccs2)SCC1=O ZINC000037424486 554244218 /nfs/dbraw/zinc/24/42/18/554244218.db2.gz UYOYTQYEUZHWDJ-DEOSSOPVSA-N 0 0 526.728 4.780 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2C)[C@@H](c2cccs2)SCC1=O ZINC000037424488 554244293 /nfs/dbraw/zinc/24/42/93/554244293.db2.gz UYOYTQYEUZHWDJ-XMMPIXPASA-N 0 0 526.728 4.780 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2ccccc2C)SCC1=O ZINC000037424549 554244186 /nfs/dbraw/zinc/24/41/86/554244186.db2.gz GONLPMDGAASKKP-RUZDIDTESA-N 0 0 524.662 4.549 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2ccccc2C)SCC1=O ZINC000037424551 554244261 /nfs/dbraw/zinc/24/42/61/554244261.db2.gz GONLPMDGAASKKP-VWLOTQADSA-N 0 0 524.662 4.549 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3cccc(F)c3)(C(=O)NC3CC3)C[C@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000037424579 554244157 /nfs/dbraw/zinc/24/41/57/554244157.db2.gz YQYBGJPBLUSVER-AALWMKDKSA-N 0 0 503.998 4.912 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3cccc(F)c3)(C(=O)NC3CC3)C[C@@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000037424582 554244234 /nfs/dbraw/zinc/24/42/34/554244234.db2.gz YQYBGJPBLUSVER-CHQSNSNVSA-N 0 0 503.998 4.912 50 0 KJAARN CNC(=O)[C@]1(OCc2cccc(F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000037424990 554244472 /nfs/dbraw/zinc/24/44/72/554244472.db2.gz DLSSNHSFQDPVHS-XOEOCAAJSA-N 0 0 511.512 4.745 50 0 KJAARN CNC(=O)[C@]1(OCc2cccc(F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000037424992 554244464 /nfs/dbraw/zinc/24/44/64/554244464.db2.gz DLSSNHSFQDPVHS-ILSIFQBBSA-N 0 0 511.512 4.745 50 0 KJAARN CNC(=O)[C@]1(OCc2cccc(F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000037424995 554244346 /nfs/dbraw/zinc/24/43/46/554244346.db2.gz XDGHJERVIZDEKM-XOEOCAAJSA-N 0 0 511.512 4.745 50 0 KJAARN CNC(=O)[C@]1(OCc2cccc(F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000037424997 554244477 /nfs/dbraw/zinc/24/44/77/554244477.db2.gz XDGHJERVIZDEKM-ILSIFQBBSA-N 0 0 511.512 4.745 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2C)[C@H](c2cccs2)SCC1=O ZINC000037425238 554244430 /nfs/dbraw/zinc/24/44/30/554244430.db2.gz IUPNGQDSMKWJDJ-DEOSSOPVSA-N 0 0 526.728 4.780 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2C)[C@@H](c2cccs2)SCC1=O ZINC000037425240 554244341 /nfs/dbraw/zinc/24/43/41/554244341.db2.gz IUPNGQDSMKWJDJ-XMMPIXPASA-N 0 0 526.728 4.780 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2C)[C@H](c2ccsc2)SCC1=O ZINC000037425246 554244748 /nfs/dbraw/zinc/24/47/48/554244748.db2.gz ZFTJAVPSAZRYNX-DEOSSOPVSA-N 0 0 526.728 4.780 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2C)[C@@H](c2ccsc2)SCC1=O ZINC000037425248 554244815 /nfs/dbraw/zinc/24/48/15/554244815.db2.gz ZFTJAVPSAZRYNX-XMMPIXPASA-N 0 0 526.728 4.780 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccs2)c1 ZINC000037425471 554244764 /nfs/dbraw/zinc/24/47/64/554244764.db2.gz RABAAZAUDYXZEP-DEOSSOPVSA-N 0 0 524.712 4.568 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccs2)c1 ZINC000037425472 554244786 /nfs/dbraw/zinc/24/47/86/554244786.db2.gz RABAAZAUDYXZEP-XMMPIXPASA-N 0 0 524.712 4.568 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@H](c2ccc(F)cc2)SCC1=O ZINC000037425503 554244979 /nfs/dbraw/zinc/24/49/79/554244979.db2.gz NJUQJRBWNVKTGL-VWLOTQADSA-N 0 0 524.662 4.549 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000037425504 554245012 /nfs/dbraw/zinc/24/50/12/554245012.db2.gz NJUQJRBWNVKTGL-RUZDIDTESA-N 0 0 524.662 4.549 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2)[C@H](c2ccccc2F)SCC1=O ZINC000037425507 554245004 /nfs/dbraw/zinc/24/50/04/554245004.db2.gz UNXNSEHCVXUWGV-VWLOTQADSA-N 0 0 524.662 4.549 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2)[C@@H](c2ccccc2F)SCC1=O ZINC000037425508 554244991 /nfs/dbraw/zinc/24/49/91/554244991.db2.gz UNXNSEHCVXUWGV-RUZDIDTESA-N 0 0 524.662 4.549 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000037425511 554245026 /nfs/dbraw/zinc/24/50/26/554245026.db2.gz YXSDUCJMVSTBCP-DEOSSOPVSA-N 0 0 524.712 4.568 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000037425512 554244976 /nfs/dbraw/zinc/24/49/76/554244976.db2.gz YXSDUCJMVSTBCP-XMMPIXPASA-N 0 0 524.712 4.568 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2ccsc2)cc1 ZINC000037425515 554244968 /nfs/dbraw/zinc/24/49/68/554244968.db2.gz GVDWHFLSPOKMQU-DEOSSOPVSA-N 0 0 524.712 4.568 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2ccsc2)cc1 ZINC000037425516 554244947 /nfs/dbraw/zinc/24/49/47/554244947.db2.gz GVDWHFLSPOKMQU-XMMPIXPASA-N 0 0 524.712 4.568 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2C(C)(C)C)[C@H](c2ccccc2Cl)SCC1=O ZINC000037425521 554244957 /nfs/dbraw/zinc/24/49/57/554244957.db2.gz OPCVKRQJJONKHO-VWLOTQADSA-N 0 0 527.090 4.890 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2C(C)(C)C)[C@@H](c2ccccc2Cl)SCC1=O ZINC000037425522 554244993 /nfs/dbraw/zinc/24/49/93/554244993.db2.gz OPCVKRQJJONKHO-RUZDIDTESA-N 0 0 527.090 4.890 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@H](c2ccc(F)cc2)SCC1=O ZINC000037425544 554244959 /nfs/dbraw/zinc/24/49/59/554244959.db2.gz HQQFRFOOFBYNER-VWLOTQADSA-N 0 0 524.662 4.549 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000037425545 554244964 /nfs/dbraw/zinc/24/49/64/554244964.db2.gz HQQFRFOOFBYNER-RUZDIDTESA-N 0 0 524.662 4.549 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2ccc(F)cc2)cc1 ZINC000037425548 554244985 /nfs/dbraw/zinc/24/49/85/554244985.db2.gz PJFMISAPGSTIEP-RUZDIDTESA-N 0 0 522.646 4.765 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2ccc(F)cc2)cc1 ZINC000037425549 554244996 /nfs/dbraw/zinc/24/49/96/554244996.db2.gz PJFMISAPGSTIEP-VWLOTQADSA-N 0 0 522.646 4.765 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC(C)C)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000037425552 554245244 /nfs/dbraw/zinc/24/52/44/554245244.db2.gz GWBPPLHOTQALDX-QHCPKHFHSA-N 0 0 512.701 4.934 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC(C)C)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000037425553 554245296 /nfs/dbraw/zinc/24/52/96/554245296.db2.gz GWBPPLHOTQALDX-HSZRJFAPSA-N 0 0 512.701 4.934 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2cccs2)SCC1=O ZINC000037425554 554245281 /nfs/dbraw/zinc/24/52/81/554245281.db2.gz UFMHETOHNUOFEN-QHCPKHFHSA-N 0 0 512.701 4.935 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2cccs2)SCC1=O ZINC000037425555 554245285 /nfs/dbraw/zinc/24/52/85/554245285.db2.gz UFMHETOHNUOFEN-HSZRJFAPSA-N 0 0 512.701 4.935 50 0 KJAARN CC1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3C)[C@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000037425688 554245590 /nfs/dbraw/zinc/24/55/90/554245590.db2.gz HAJHEBCBUPLHJY-SANMLTNESA-N 0 0 510.610 4.793 50 0 KJAARN CC1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3C)[C@@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000037425689 554245640 /nfs/dbraw/zinc/24/56/40/554245640.db2.gz HAJHEBCBUPLHJY-AREMUKBSSA-N 0 0 510.610 4.793 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000037425824 554245648 /nfs/dbraw/zinc/24/56/48/554245648.db2.gz AWKUGLQHRAAKMS-HSZRJFAPSA-N 0 0 510.685 4.688 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000037425825 554245610 /nfs/dbraw/zinc/24/56/10/554245610.db2.gz AWKUGLQHRAAKMS-QHCPKHFHSA-N 0 0 510.685 4.688 50 0 KJAARN COCCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037425890 554245800 /nfs/dbraw/zinc/24/58/00/554245800.db2.gz MOLRWYXPRZWSBQ-UHFFFAOYSA-N 0 0 506.550 4.701 50 0 KJAARN COc1ccc(Nc2nc(C(=O)N(CCC(=O)NCc3ccccn3)Cc3ccccc3)cs2)cc1 ZINC000037426149 554245795 /nfs/dbraw/zinc/24/57/95/554245795.db2.gz WZBPBCBEYNTGJN-UHFFFAOYSA-N 0 0 501.612 4.639 50 0 KJAARN O=C(CNC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)NCc1cccc(C(F)(F)F)c1 ZINC000037426215 554245825 /nfs/dbraw/zinc/24/58/25/554245825.db2.gz MEXLVUIHNDAKHZ-UHFFFAOYSA-N 0 0 502.440 4.971 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2cccc(C)c2)SCC1=O ZINC000037426663 554246103 /nfs/dbraw/zinc/24/61/03/554246103.db2.gz CFXDQDFHVBJJBY-RUZDIDTESA-N 0 0 524.662 4.549 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2cccc(C)c2)SCC1=O ZINC000037426664 554246106 /nfs/dbraw/zinc/24/61/06/554246106.db2.gz CFXDQDFHVBJJBY-VWLOTQADSA-N 0 0 524.662 4.549 50 0 KJAARN COCCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1 ZINC000037426754 554246051 /nfs/dbraw/zinc/24/60/51/554246051.db2.gz WILSRDXPWQIAAD-UHFFFAOYSA-N 0 0 507.443 4.989 50 0 KJAARN O=C(CN(Cc1ccccc1)C(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1)N1CCOCC1 ZINC000037426764 554246212 /nfs/dbraw/zinc/24/62/12/554246212.db2.gz ZCAZMEBAFRZNBR-UHFFFAOYSA-N 0 0 505.427 4.695 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2)[C@H](c2cccc(F)c2)SCC1=O ZINC000037427364 554246548 /nfs/dbraw/zinc/24/65/48/554246548.db2.gz DCELRUXKKNNJEY-VWLOTQADSA-N 0 0 524.662 4.549 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2)[C@@H](c2cccc(F)c2)SCC1=O ZINC000037427365 554246571 /nfs/dbraw/zinc/24/65/71/554246571.db2.gz DCELRUXKKNNJEY-RUZDIDTESA-N 0 0 524.662 4.549 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2ccccc2C)c1 ZINC000037427372 554246557 /nfs/dbraw/zinc/24/65/57/554246557.db2.gz RSJBRVDEDGIWJR-MHZLTWQESA-N 0 0 532.710 4.815 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2ccccc2C)c1 ZINC000037427373 554246688 /nfs/dbraw/zinc/24/66/88/554246688.db2.gz RSJBRVDEDGIWJR-HHHXNRCGSA-N 0 0 532.710 4.815 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2)[C@H](c2cccc(C)c2)SCC1=O ZINC000037427447 554246733 /nfs/dbraw/zinc/24/67/33/554246733.db2.gz GZQSFQWMQFXHNX-SANMLTNESA-N 0 0 520.699 4.718 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(C)cc2)[C@@H](c2cccc(C)c2)SCC1=O ZINC000037427448 554246756 /nfs/dbraw/zinc/24/67/56/554246756.db2.gz GZQSFQWMQFXHNX-AREMUKBSSA-N 0 0 520.699 4.718 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2cccc(F)c2)cc1 ZINC000037427495 554246752 /nfs/dbraw/zinc/24/67/52/554246752.db2.gz FBPGSKMTNXVSOA-RUZDIDTESA-N 0 0 522.646 4.765 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2cccc(F)c2)cc1 ZINC000037427496 554246720 /nfs/dbraw/zinc/24/67/20/554246720.db2.gz FBPGSKMTNXVSOA-VWLOTQADSA-N 0 0 522.646 4.765 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000037427513 554246921 /nfs/dbraw/zinc/24/69/21/554246921.db2.gz GJWZCOXPQZULEA-MHZLTWQESA-N 0 0 532.710 4.815 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000037427514 554246959 /nfs/dbraw/zinc/24/69/59/554246959.db2.gz GJWZCOXPQZULEA-HHHXNRCGSA-N 0 0 532.710 4.815 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCc2ccncc2)c2c1c(C(C)(C)C)nn2C(C)(C)C ZINC000037427559 554246948 /nfs/dbraw/zinc/24/69/48/554246948.db2.gz ZKMUVHQWCVXHEB-RUZDIDTESA-N 0 0 535.714 4.825 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCc2ccncc2)c2c1c(C(C)(C)C)nn2C(C)(C)C ZINC000037427560 554246955 /nfs/dbraw/zinc/24/69/55/554246955.db2.gz ZKMUVHQWCVXHEB-VWLOTQADSA-N 0 0 535.714 4.825 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000037427697 554247153 /nfs/dbraw/zinc/24/71/53/554247153.db2.gz UVSUYQJBPMTNOG-AREMUKBSSA-N 0 0 518.683 4.935 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000037427698 554247104 /nfs/dbraw/zinc/24/71/04/554247104.db2.gz UVSUYQJBPMTNOG-SANMLTNESA-N 0 0 518.683 4.935 50 0 KJAARN CC(C)(C)c1nn(C(C)(C)C)c2c1[C@@H](c1cccc(F)c1)SCC(=O)N2CC(=O)NCc1ccncc1 ZINC000037427730 554247198 /nfs/dbraw/zinc/24/71/98/554247198.db2.gz INVPSUPCDRYPSL-XMMPIXPASA-N 0 0 523.678 4.955 50 0 KJAARN CC(C)(C)c1nn(C(C)(C)C)c2c1[C@H](c1cccc(F)c1)SCC(=O)N2CC(=O)NCc1ccncc1 ZINC000037427731 554247196 /nfs/dbraw/zinc/24/71/96/554247196.db2.gz INVPSUPCDRYPSL-DEOSSOPVSA-N 0 0 523.678 4.955 50 0 KJAARN Cc1s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1C ZINC000037427839 554247325 /nfs/dbraw/zinc/24/73/25/554247325.db2.gz UHXIOWMHMDWCSB-NGNZEAJZSA-N 0 0 517.573 4.883 50 0 KJAARN Cc1s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c1C ZINC000037427840 554247312 /nfs/dbraw/zinc/24/73/12/554247312.db2.gz UHXIOWMHMDWCSB-QPRQTZNDSA-N 0 0 517.573 4.883 50 0 KJAARN Cc1s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1C ZINC000037427847 554247327 /nfs/dbraw/zinc/24/73/27/554247327.db2.gz ZHAUHLGGCXPGGJ-NGNZEAJZSA-N 0 0 517.573 4.883 50 0 KJAARN Cc1s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1C ZINC000037427848 554247395 /nfs/dbraw/zinc/24/73/95/554247395.db2.gz ZHAUHLGGCXPGGJ-QPRQTZNDSA-N 0 0 517.573 4.883 50 0 KJAARN CCN1CCN(C(=O)c2cccc(Cn3c4ccccc4s/c3=N\C(=O)c3cccc(Cl)c3)c2)CC1 ZINC000037427849 554247342 /nfs/dbraw/zinc/24/73/42/554247342.db2.gz VOPYNGRJSJJHRY-HYOGKJQXSA-N 0 0 519.070 4.923 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCc2ccccn2)c2c1c(C(C)(C)C)nn2C(C)(C)C ZINC000037427903 554247314 /nfs/dbraw/zinc/24/73/14/554247314.db2.gz GBOGYWIKZRHJMO-RUZDIDTESA-N 0 0 535.714 4.825 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCc2ccccn2)c2c1c(C(C)(C)C)nn2C(C)(C)C ZINC000037427904 554247366 /nfs/dbraw/zinc/24/73/66/554247366.db2.gz GBOGYWIKZRHJMO-VWLOTQADSA-N 0 0 535.714 4.825 50 0 KJAARN Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(Cc2ccc(C(=O)NC[C@@H]3CCCO3)o2)c1C ZINC000037428038 554247672 /nfs/dbraw/zinc/24/76/72/554247672.db2.gz JYNLYKFVNAQYKI-FAUYJNLGSA-N 0 0 508.427 4.764 50 0 KJAARN Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(Cc2ccc(C(=O)NC[C@H]3CCCO3)o2)c1C ZINC000037428039 554247571 /nfs/dbraw/zinc/24/75/71/554247571.db2.gz JYNLYKFVNAQYKI-DPDDTZJLSA-N 0 0 508.427 4.764 50 0 KJAARN Cc1cs/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n1Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000037428046 554247568 /nfs/dbraw/zinc/24/75/68/554247568.db2.gz JMPKCOQVYXDNGC-MSSAIVSKSA-N 0 0 503.546 4.575 50 0 KJAARN Cc1cs/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n1Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000037428047 554247644 /nfs/dbraw/zinc/24/76/44/554247644.db2.gz JMPKCOQVYXDNGC-PLHZELPKSA-N 0 0 503.546 4.575 50 0 KJAARN Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(Cc2ccccc2C(=O)N2CCOCC2)c1C ZINC000037428240 554247656 /nfs/dbraw/zinc/24/76/56/554247656.db2.gz OKLRHUXHWPPCGP-PNHLSOANSA-N 0 0 504.439 4.735 50 0 KJAARN CCN1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccc(Cl)cc3Cl)o2)CC1 ZINC000037428257 554247635 /nfs/dbraw/zinc/24/76/35/554247635.db2.gz XIRGFTMFIKLBCH-PNHLSOANSA-N 0 0 521.470 4.633 50 0 KJAARN Cc1cn(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)/c(=N/C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000037428388 554247682 /nfs/dbraw/zinc/24/76/82/554247682.db2.gz QGWNHADEPFLRAY-IQDGNKONSA-N 0 0 504.439 4.863 50 0 KJAARN Cc1cn(Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)/c(=N/C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000037428389 554247617 /nfs/dbraw/zinc/24/76/17/554247617.db2.gz QGWNHADEPFLRAY-JALILWDOSA-N 0 0 504.439 4.863 50 0 KJAARN CCN1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N\C(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000037428399 554247573 /nfs/dbraw/zinc/24/75/73/554247573.db2.gz AFXUCBSLHWZKPR-FVDSYPCUSA-N 0 0 517.482 4.732 50 0 KJAARN CCN1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000037428428 554247663 /nfs/dbraw/zinc/24/76/63/554247663.db2.gz QCPKLEMSYHKENM-PNHLSOANSA-N 0 0 521.470 4.633 50 0 KJAARN COc1ccc(CCN(C)C(=O)c2cccc(Cn3cc(C)s/c3=N\C(=O)c3ccco3)c2)cc1OC ZINC000037435542 554247843 /nfs/dbraw/zinc/24/78/43/554247843.db2.gz RGBRVOSZOYSKEH-ZIADKAODSA-N 0 0 519.623 4.572 50 0 KJAARN COc1ccccc1Nc1nc(C(=O)N(CCC(=O)NCc2ccccn2)Cc2ccccc2)cs1 ZINC000037435576 554247800 /nfs/dbraw/zinc/24/78/00/554247800.db2.gz LFADBLJMDDCVTB-UHFFFAOYSA-N 0 0 501.612 4.639 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2cccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccccc3F)c2)CC1 ZINC000037435771 554247768 /nfs/dbraw/zinc/24/77/68/554247768.db2.gz XTVQRLZHFDQGFO-HYOGKJQXSA-N 0 0 523.630 4.510 50 0 KJAARN CCN1CCN(C(=O)c2cccc(Cn3c(C)cs/c3=N\C(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000037436653 554248053 /nfs/dbraw/zinc/24/80/53/554248053.db2.gz PLGIUBYESFJDJQ-FVDSYPCUSA-N 0 0 517.482 4.732 50 0 KJAARN Cc1cs/c(=N\C(=O)c2ccc(Cl)c(Cl)c2)n1Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000037436656 554248193 /nfs/dbraw/zinc/24/81/93/554248193.db2.gz YNTOGJGXVGKRIK-IQDGNKONSA-N 0 0 504.439 4.863 50 0 KJAARN Cc1cs/c(=N\C(=O)c2ccc(Cl)c(Cl)c2)n1Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000037436658 554248110 /nfs/dbraw/zinc/24/81/10/554248110.db2.gz YNTOGJGXVGKRIK-JALILWDOSA-N 0 0 504.439 4.863 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2cccc(Cn3cc(C)s/c3=N\C(=O)c3ccccc3Cl)c2)CC1 ZINC000037436926 554248180 /nfs/dbraw/zinc/24/81/80/554248180.db2.gz FWDNRZZTYVMDOB-OHYPFYFLSA-N 0 0 526.058 4.716 50 0 KJAARN CCOC(=O)C1CCN(C(=O)CN(c2nc(-c3ccc(OC)cc3)cs2)c2ccc(OC)cc2)CC1 ZINC000037437377 554248205 /nfs/dbraw/zinc/24/82/05/554248205.db2.gz AUGUIWCSIASABJ-UHFFFAOYSA-N 0 0 509.628 4.767 50 0 KJAARN COCCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1 ZINC000037438017 554248188 /nfs/dbraw/zinc/24/81/88/554248188.db2.gz FESBBEYIFMWCIS-UHFFFAOYSA-N 0 0 507.443 4.989 50 0 KJAARN CCOC(=O)C1CCN(C(=O)CN(c2nc(-c3ccc(OC)cc3)cs2)c2ccccc2OC)CC1 ZINC000037438884 554248427 /nfs/dbraw/zinc/24/84/27/554248427.db2.gz LSCXDJWPMDAIIO-UHFFFAOYSA-N 0 0 509.628 4.767 50 0 KJAARN O=C(COc1ccccc1F)c1ccc2c(c1)N(Cc1ccc(C(=O)Nc3ccc(F)cc3)o1)C(=O)CO2 ZINC000037510320 554248625 /nfs/dbraw/zinc/24/86/25/554248625.db2.gz ROZUIAWBAFHCQN-UHFFFAOYSA-N 0 0 518.472 4.997 50 0 KJAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCc4ccccc4)o2)C(=O)CO3)c1 ZINC000037510575 554248932 /nfs/dbraw/zinc/24/89/32/554248932.db2.gz RFYGYZNMVCSPED-UHFFFAOYSA-N 0 0 510.546 4.705 50 0 KJAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)N4CCC(C)CC4)o2)C(=O)CO3)c1 ZINC000037510589 554249011 /nfs/dbraw/zinc/24/90/11/554249011.db2.gz VQRIGJZYJQNDKW-UHFFFAOYSA-N 0 0 502.567 4.647 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccccc4)cc32)o1 ZINC000037510623 554248919 /nfs/dbraw/zinc/24/89/19/554248919.db2.gz NJVGLHPBOWNPJL-UHFFFAOYSA-N 0 0 510.546 4.739 50 0 KJAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC4CCCCC4)o2)C(=O)CO3)cc1 ZINC000037510630 554248867 /nfs/dbraw/zinc/24/88/67/554248867.db2.gz UAIAGNRAQHBQDI-UHFFFAOYSA-N 0 0 502.567 4.838 50 0 KJAARN O=C(COc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)NCc3ccccc3)o1)C(=O)CO2 ZINC000037510658 554248834 /nfs/dbraw/zinc/24/88/34/554248834.db2.gz DHHGMHNFXOZCGK-UHFFFAOYSA-N 0 0 514.509 4.536 50 0 KJAARN CC1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccccc5Cl)cc43)o2)CC1 ZINC000037510815 554249005 /nfs/dbraw/zinc/24/90/05/554249005.db2.gz PLESLHGKWCIPBF-UHFFFAOYSA-N 0 0 522.985 4.992 50 0 KJAARN CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCc4ccccc4)o2)C(=O)CO3)c1 ZINC000037510821 554248928 /nfs/dbraw/zinc/24/89/28/554248928.db2.gz BREHFGXYOJDFAK-UHFFFAOYSA-N 0 0 524.573 4.959 50 0 KJAARN CC(C)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(Cl)cc4)cc32)o1 ZINC000037510955 554249207 /nfs/dbraw/zinc/24/92/07/554249207.db2.gz JQCGRMYXNJUPFW-UHFFFAOYSA-N 0 0 510.974 4.896 50 0 KJAARN CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCc4ccco4)o2)C(=O)CO3)c1 ZINC000037510965 554249191 /nfs/dbraw/zinc/24/91/91/554249191.db2.gz PRELVUDQZJWARU-UHFFFAOYSA-N 0 0 514.534 4.552 50 0 KJAARN O=C(COc1ccccc1F)c1ccc2c(c1)N(Cc1ccc(C(=O)NCc3ccccc3)o1)C(=O)CO2 ZINC000037511042 554249216 /nfs/dbraw/zinc/24/92/16/554249216.db2.gz LHSIPSKRVFTJCV-UHFFFAOYSA-N 0 0 514.509 4.536 50 0 KJAARN O=C(COc1ccccc1)c1ccc2c(c1)N(Cc1ccc(C(=O)Nc3ccc(F)cc3)o1)C(=O)CO2 ZINC000037511227 554249294 /nfs/dbraw/zinc/24/92/94/554249294.db2.gz WZFAUUGDPHRLAO-UHFFFAOYSA-N 0 0 500.482 4.858 50 0 KJAARN O=C(COc1ccccc1F)c1ccc2c(c1)N(Cc1ccc(C(=O)Nc3ccccc3)o1)C(=O)CO2 ZINC000037511242 554249188 /nfs/dbraw/zinc/24/91/88/554249188.db2.gz KLHQEWJLOBNUGV-UHFFFAOYSA-N 0 0 500.482 4.858 50 0 KJAARN O=C(COc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)NC3CCCCC3)o1)C(=O)CO2 ZINC000037511518 554249620 /nfs/dbraw/zinc/24/96/20/554249620.db2.gz ZVSQXMZHOQQKEV-UHFFFAOYSA-N 0 0 506.530 4.669 50 0 KJAARN Cc1ccccc1OCC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CCC(C)CC3)o1)C(=O)CO2 ZINC000037511524 554249516 /nfs/dbraw/zinc/24/95/16/554249516.db2.gz WWVXRSVXVNQUCW-UHFFFAOYSA-N 0 0 502.567 4.647 50 0 KJAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC4CCCCC4)o2)C(=O)CO3)c1 ZINC000037511535 554249625 /nfs/dbraw/zinc/24/96/25/554249625.db2.gz RDROOIPRNJVCBK-UHFFFAOYSA-N 0 0 502.567 4.838 50 0 KJAARN CC1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccc(Cl)cc5)cc43)o2)CC1 ZINC000037511700 554249550 /nfs/dbraw/zinc/24/95/50/554249550.db2.gz LPUOAVFDYCJFNG-UHFFFAOYSA-N 0 0 522.985 4.992 50 0 KJAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)N[C@@H](C)c2ccccc2)C(=O)CO3)cc1C ZINC000037512654 554249809 /nfs/dbraw/zinc/24/98/09/554249809.db2.gz XEPCJJGERJVFPC-QFIPXVFZSA-N 0 0 500.595 4.948 50 0 KJAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)N[C@H](C)c2ccccc2)C(=O)CO3)cc1C ZINC000037512655 554249819 /nfs/dbraw/zinc/24/98/19/554249819.db2.gz XEPCJJGERJVFPC-JOCHJYFZSA-N 0 0 500.595 4.948 50 0 KJAARN O=C(CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)NCc1ccc(F)cc1 ZINC000037512680 554249713 /nfs/dbraw/zinc/24/97/13/554249713.db2.gz BRCMUVSFSUAPOG-UHFFFAOYSA-N 0 0 510.949 4.563 50 0 KJAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCc2ccc(F)cc2)C(=O)CO3)cc1C ZINC000037512817 554249850 /nfs/dbraw/zinc/24/98/50/554249850.db2.gz ZWBBYVPJFLCERX-UHFFFAOYSA-N 0 0 504.558 4.526 50 0 KJAARN Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCc2ccc(F)cc2)C(=O)CO3)c1 ZINC000037512889 554249739 /nfs/dbraw/zinc/24/97/39/554249739.db2.gz BIXMHVCNKJXIGG-UHFFFAOYSA-N 0 0 504.558 4.526 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000037523720 554250182 /nfs/dbraw/zinc/25/01/82/554250182.db2.gz CZRWYLGRPZQSKQ-UHFFFAOYSA-N 0 0 525.527 4.763 50 0 KJAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC000037524418 554250416 /nfs/dbraw/zinc/25/04/16/554250416.db2.gz BOZOFQZWKOVRJC-UHFFFAOYSA-N 0 0 522.045 4.729 50 0 KJAARN O=C(NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1)c1cccc(Br)c1 ZINC000037524715 554250271 /nfs/dbraw/zinc/25/02/71/554250271.db2.gz FWZOTEPDSVPLSL-UHFFFAOYSA-N 0 0 510.407 4.917 50 0 KJAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccc3Cl)CC2)CC1)c1cccs1 ZINC000037524954 554250431 /nfs/dbraw/zinc/25/04/31/554250431.db2.gz VIEXSWGAJHFDNW-UHFFFAOYSA-N 0 0 509.075 4.763 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1ccccc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000037525118 554250247 /nfs/dbraw/zinc/25/02/47/554250247.db2.gz CQCNDCCOBUQVQU-UHFFFAOYSA-N 0 0 510.407 4.917 50 0 KJAARN O=C(NC1CCN(c2ccccc2C(=O)NCc2ccccc2F)CC1)c1cccc(Br)c1 ZINC000037525159 554250374 /nfs/dbraw/zinc/25/03/74/554250374.db2.gz CCOFRKOHMGKJGU-UHFFFAOYSA-N 0 0 510.407 4.917 50 0 KJAARN CCOc1ccccc1N1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000037525225 554250610 /nfs/dbraw/zinc/25/06/10/554250610.db2.gz GEHJRHHIXHXSCR-UHFFFAOYSA-N 0 0 530.644 4.586 50 0 KJAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1)C1CCCCC1 ZINC000037525228 554250525 /nfs/dbraw/zinc/25/05/25/554250525.db2.gz WPXXEJJOTBTBSB-UHFFFAOYSA-N 0 0 509.094 4.968 50 0 KJAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1)c1cccs1 ZINC000037525276 554250519 /nfs/dbraw/zinc/25/05/19/554250519.db2.gz 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CCOC(=O)C1CCN(C(=O)c2cc3sc(Br)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000037542653 554250759 /nfs/dbraw/zinc/25/07/59/554250759.db2.gz TUEXGZZRWNFMBQ-UHFFFAOYSA-N 0 0 505.434 4.938 50 0 KJAARN CC(C)(C)c1ccc(Cn2c(C(=O)NCCN3CCOCC3)cc3sc(Br)cc32)cc1 ZINC000037542681 554250880 /nfs/dbraw/zinc/25/08/80/554250880.db2.gz VQHFPIMZTSSCAH-UHFFFAOYSA-N 0 0 504.494 4.873 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(Br)cc3n2Cc2cccc(OC)c2)CC1 ZINC000037542744 554250891 /nfs/dbraw/zinc/25/08/91/554250891.db2.gz DDMQNEJSTGLQTG-UHFFFAOYSA-N 0 0 505.434 4.938 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(Br)cc3n2Cc2cccc(OC)c2)C1 ZINC000037542746 554250894 /nfs/dbraw/zinc/25/08/94/554250894.db2.gz ASUPLYLJJPFEFK-MRXNPFEDSA-N 0 0 505.434 4.938 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(Br)cc3n2Cc2cccc(OC)c2)C1 ZINC000037542748 554250822 /nfs/dbraw/zinc/25/08/22/554250822.db2.gz ASUPLYLJJPFEFK-INIZCTEOSA-N 0 0 505.434 4.938 50 0 KJAARN COc1cc(Cn2c(C(=O)NCCc3ccccn3)cc3scc(Br)c32)cc(OC)c1 ZINC000037542939 554251175 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Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NC[C@@H]5CCCO5)cs4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037601380 554253559 /nfs/dbraw/zinc/25/35/59/554253559.db2.gz DIEGGQCASQEFHQ-CUBQBAPOSA-N 0 0 531.678 4.823 50 0 KJAARN Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NC[C@H]5CCCO5)cs4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037601381 554253552 /nfs/dbraw/zinc/25/35/52/554253552.db2.gz DIEGGQCASQEFHQ-UFHPHHKVSA-N 0 0 531.678 4.823 50 0 KJAARN Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NC[C@H]5CCCO5)cs4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037601382 554253547 /nfs/dbraw/zinc/25/35/47/554253547.db2.gz DIEGGQCASQEFHQ-YWEHKCAJSA-N 0 0 531.678 4.823 50 0 KJAARN COCCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2ccc(C)cc2)N(C(=O)CC(C)C)CC3)n1 ZINC000037601997 554253808 /nfs/dbraw/zinc/25/38/08/554253808.db2.gz WQOAIIXZXYYKCY-MUUNZHRXSA-N 0 0 521.683 4.927 50 0 KJAARN COCCNC(=O)c1csc(COc2ccc3c(c2)[C@H](c2ccc(C)cc2)N(C(=O)CC(C)C)CC3)n1 ZINC000037601998 554253751 /nfs/dbraw/zinc/25/37/51/554253751.db2.gz WQOAIIXZXYYKCY-NDEPHWFRSA-N 0 0 521.683 4.927 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@@H]4CCCO4)cs3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602035 554253770 /nfs/dbraw/zinc/25/37/70/554253770.db2.gz NKZOPRCOXSVMLH-FIPFOOKPSA-N 0 0 519.667 4.823 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@@H]4CCCO4)cs3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602036 554253850 /nfs/dbraw/zinc/25/38/50/554253850.db2.gz NKZOPRCOXSVMLH-NEKDWFFYSA-N 0 0 519.667 4.823 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@H]4CCCO4)cs3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602037 554253742 /nfs/dbraw/zinc/25/37/42/554253742.db2.gz NKZOPRCOXSVMLH-LXFBAYGMSA-N 0 0 519.667 4.823 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@H]4CCCO4)cs3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602038 554253802 /nfs/dbraw/zinc/25/38/02/554253802.db2.gz NKZOPRCOXSVMLH-QDPGVEIFSA-N 0 0 519.667 4.823 50 0 KJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NC[C@@H]1CCCO1 ZINC000037602257 554253944 /nfs/dbraw/zinc/25/39/44/554253944.db2.gz SBYQYJCRPIRMQQ-MYKRZTLLSA-N 0 0 508.634 4.943 50 0 KJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NC[C@H]1CCCO1 ZINC000037602259 554254043 /nfs/dbraw/zinc/25/40/43/554254043.db2.gz SBYQYJCRPIRMQQ-PKXQUSJVSA-N 0 0 508.634 4.943 50 0 KJAARN COCCNC(=O)c1csc(COc2ccc3c(c2)[C@H](c2ccccc2)N(C(=O)CC(C)C)CC3)n1 ZINC000037602337 554254103 /nfs/dbraw/zinc/25/41/03/554254103.db2.gz FOAKCEQQVPIYFF-MHZLTWQESA-N 0 0 507.656 4.619 50 0 KJAARN COCCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(C(=O)CC(C)C)CC3)n1 ZINC000037602338 554254112 /nfs/dbraw/zinc/25/41/12/554254112.db2.gz FOAKCEQQVPIYFF-HHHXNRCGSA-N 0 0 507.656 4.619 50 0 KJAARN CC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CCSCC4)cs3)cc2[C@@H]1c1cccc(F)c1 ZINC000037602771 554254428 /nfs/dbraw/zinc/25/44/28/554254428.db2.gz SDXOBGLFOBHGJX-VWLOTQADSA-N 0 0 511.644 4.544 50 0 KJAARN CC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CCSCC4)cs3)cc2[C@H]1c1cccc(F)c1 ZINC000037602772 554254452 /nfs/dbraw/zinc/25/44/52/554254452.db2.gz SDXOBGLFOBHGJX-RUZDIDTESA-N 0 0 511.644 4.544 50 0 KJAARN CCNC(=O)c1csc(COc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)c2ccco2)CC3)n1 ZINC000037602783 554254418 /nfs/dbraw/zinc/25/44/18/554254418.db2.gz IJYKTHUNDBLRIU-VWLOTQADSA-N 0 0 505.571 4.992 50 0 KJAARN CCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)c2ccco2)CC3)n1 ZINC000037602784 554254413 /nfs/dbraw/zinc/25/44/13/554254413.db2.gz IJYKTHUNDBLRIU-RUZDIDTESA-N 0 0 505.571 4.992 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CCOCC4)cs3)cc2[C@@H]1c1ccccc1 ZINC000037602945 554254363 /nfs/dbraw/zinc/25/43/63/554254363.db2.gz VYQACOXWBZWEED-NDEPHWFRSA-N 0 0 519.667 4.715 50 0 KJAARN CC(C)CC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CCOCC4)cs3)cc2[C@H]1c1ccccc1 ZINC000037602946 554254310 /nfs/dbraw/zinc/25/43/10/554254310.db2.gz VYQACOXWBZWEED-MUUNZHRXSA-N 0 0 519.667 4.715 50 0 KJAARN COCCNC(=O)c1csc(COc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)C(C)(C)C)CC3)n1 ZINC000037603401 554254931 /nfs/dbraw/zinc/25/49/31/554254931.db2.gz KZKZJPMXKSJOLL-VWLOTQADSA-N 0 0 525.646 4.758 50 0 KJAARN COCCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)C(C)(C)C)CC3)n1 ZINC000037603402 554254963 /nfs/dbraw/zinc/25/49/63/554254963.db2.gz KZKZJPMXKSJOLL-RUZDIDTESA-N 0 0 525.646 4.758 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)o3)cc2[C@@H]1c1ccccc1 ZINC000037603931 554255390 /nfs/dbraw/zinc/25/53/90/554255390.db2.gz WZDPBNBZWOUXJF-CUBQBAPOSA-N 0 0 502.611 4.898 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)o3)cc2[C@H]1c1ccccc1 ZINC000037603932 554255425 /nfs/dbraw/zinc/25/54/25/554255425.db2.gz WZDPBNBZWOUXJF-RBJSKKJNSA-N 0 0 502.611 4.898 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@H]4CCCO4)o3)cc2[C@@H]1c1ccccc1 ZINC000037603933 554255394 /nfs/dbraw/zinc/25/53/94/554255394.db2.gz WZDPBNBZWOUXJF-YWEHKCAJSA-N 0 0 502.611 4.898 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@H]4CCCO4)o3)cc2[C@H]1c1ccccc1 ZINC000037603934 554255382 /nfs/dbraw/zinc/25/53/82/554255382.db2.gz WZDPBNBZWOUXJF-UFHPHHKVSA-N 0 0 502.611 4.898 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)o3)cc2[C@@H]1c1cccc(C)c1 ZINC000037604435 554255887 /nfs/dbraw/zinc/25/58/87/554255887.db2.gz NCCMARNHEWYCCW-OUTSHDOLSA-N 0 0 502.611 4.960 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)o3)cc2[C@H]1c1cccc(C)c1 ZINC000037604436 554255894 /nfs/dbraw/zinc/25/58/94/554255894.db2.gz NCCMARNHEWYCCW-PWUYWRBVSA-N 0 0 502.611 4.960 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@H]4CCCO4)o3)cc2[C@@H]1c1cccc(C)c1 ZINC000037604437 554255871 /nfs/dbraw/zinc/25/58/71/554255871.db2.gz NCCMARNHEWYCCW-GIGWZHCTSA-N 0 0 502.611 4.960 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@H]4CCCO4)o3)cc2[C@H]1c1cccc(C)c1 ZINC000037604438 554255935 /nfs/dbraw/zinc/25/59/35/554255935.db2.gz NCCMARNHEWYCCW-FUFSCUOVSA-N 0 0 502.611 4.960 50 0 KJAARN COCCNC(=O)c1ccc(COc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)CC(C)C)CC3)o1 ZINC000037604739 554256093 /nfs/dbraw/zinc/25/60/93/554256093.db2.gz WDGLTEMGISFFOF-NDEPHWFRSA-N 0 0 508.590 4.894 50 0 KJAARN COCCNC(=O)c1ccc(COc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)CC(C)C)CC3)o1 ZINC000037604740 554256242 /nfs/dbraw/zinc/25/62/42/554256242.db2.gz WDGLTEMGISFFOF-MUUNZHRXSA-N 0 0 508.590 4.894 50 0 KJAARN COCCNC(=O)c1ccc(COc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)C(C)(C)C)CC3)o1 ZINC000037604899 554256301 /nfs/dbraw/zinc/25/63/01/554256301.db2.gz CNINZCTXUYDMLB-SANMLTNESA-N 0 0 508.590 4.894 50 0 KJAARN COCCNC(=O)c1ccc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)C(C)(C)C)CC3)o1 ZINC000037604900 554256306 /nfs/dbraw/zinc/25/63/06/554256306.db2.gz CNINZCTXUYDMLB-AREMUKBSSA-N 0 0 508.590 4.894 50 0 KJAARN Cc1cccc([C@@H]2c3cc(OCc4nc(C(=O)NCc5ccco5)co4)ccc3CCN2C(=O)C2CC2)c1 ZINC000037604917 554256297 /nfs/dbraw/zinc/25/62/97/554256297.db2.gz QZXZKQGKHMYRGJ-MUUNZHRXSA-N 0 0 511.578 4.969 50 0 KJAARN Cc1cccc([C@H]2c3cc(OCc4nc(C(=O)NCc5ccco5)co4)ccc3CCN2C(=O)C2CC2)c1 ZINC000037604918 554256336 /nfs/dbraw/zinc/25/63/36/554256336.db2.gz QZXZKQGKHMYRGJ-NDEPHWFRSA-N 0 0 511.578 4.969 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)o3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037605114 554256536 /nfs/dbraw/zinc/25/65/36/554256536.db2.gz JJSFXZQKAMUYOR-OUTSHDOLSA-N 0 0 502.611 4.960 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)o3)cc2[C@H]1c1ccc(C)cc1 ZINC000037605117 554256616 /nfs/dbraw/zinc/25/66/16/554256616.db2.gz JJSFXZQKAMUYOR-PWUYWRBVSA-N 0 0 502.611 4.960 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@H]4CCCO4)o3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037605121 554256605 /nfs/dbraw/zinc/25/66/05/554256605.db2.gz JJSFXZQKAMUYOR-GIGWZHCTSA-N 0 0 502.611 4.960 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@H]4CCCO4)o3)cc2[C@H]1c1ccc(C)cc1 ZINC000037605123 554256618 /nfs/dbraw/zinc/25/66/18/554256618.db2.gz JJSFXZQKAMUYOR-FUFSCUOVSA-N 0 0 502.611 4.960 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000037605370 554256792 /nfs/dbraw/zinc/25/67/92/554256792.db2.gz FQPPXFPOEPJBGA-FIPFOOKPSA-N 0 0 506.574 4.791 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@@H]4CCCO4)o3)cc2[C@H]1c1cccc(F)c1 ZINC000037605373 554256796 /nfs/dbraw/zinc/25/67/96/554256796.db2.gz FQPPXFPOEPJBGA-NEKDWFFYSA-N 0 0 506.574 4.791 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@H]4CCCO4)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000037605376 554256804 /nfs/dbraw/zinc/25/68/04/554256804.db2.gz FQPPXFPOEPJBGA-LXFBAYGMSA-N 0 0 506.574 4.791 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC[C@H]4CCCO4)o3)cc2[C@H]1c1cccc(F)c1 ZINC000037605379 554256791 /nfs/dbraw/zinc/25/67/91/554256791.db2.gz FQPPXFPOEPJBGA-QDPGVEIFSA-N 0 0 506.574 4.791 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCOCC4)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000037605746 554257004 /nfs/dbraw/zinc/25/70/04/554257004.db2.gz SHAHRCXRCOIYOK-MHZLTWQESA-N 0 0 506.574 4.600 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCOCC4)o3)cc2[C@H]1c1cccc(F)c1 ZINC000037605748 554257040 /nfs/dbraw/zinc/25/70/40/554257040.db2.gz SHAHRCXRCOIYOK-HHHXNRCGSA-N 0 0 506.574 4.600 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NCc4ccco4)co3)cc2[C@@H]1c1ccc(F)cc1 ZINC000037606062 554257074 /nfs/dbraw/zinc/25/70/74/554257074.db2.gz JOKYXONWZVHEBF-MHZLTWQESA-N 0 0 503.530 4.800 50 0 KJAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NCc4ccco4)co3)cc2[C@H]1c1ccc(F)cc1 ZINC000037606065 554257066 /nfs/dbraw/zinc/25/70/66/554257066.db2.gz JOKYXONWZVHEBF-HHHXNRCGSA-N 0 0 503.530 4.800 50 0 KJAARN Cc1ccc([C@@H]2c3cc(OCc4ccc(C(=O)NC[C@@H]5CCCO5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037606276 554257308 /nfs/dbraw/zinc/25/73/08/554257308.db2.gz MTLNGMYBBZYVAQ-ABYGYWHVSA-N 0 0 514.622 4.960 50 0 KJAARN Cc1ccc([C@H]2c3cc(OCc4ccc(C(=O)NC[C@@H]5CCCO5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037606280 554257316 /nfs/dbraw/zinc/25/73/16/554257316.db2.gz MTLNGMYBBZYVAQ-SVEHJYQDSA-N 0 0 514.622 4.960 50 0 KJAARN Cc1ccc([C@@H]2c3cc(OCc4ccc(C(=O)NC[C@H]5CCCO5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037606283 554257284 /nfs/dbraw/zinc/25/72/84/554257284.db2.gz MTLNGMYBBZYVAQ-VAVYLYDRSA-N 0 0 514.622 4.960 50 0 KJAARN Cc1ccc([C@H]2c3cc(OCc4ccc(C(=O)NC[C@H]5CCCO5)o4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037606287 554257368 /nfs/dbraw/zinc/25/73/68/554257368.db2.gz MTLNGMYBBZYVAQ-IRPSRAIASA-N 0 0 514.622 4.960 50 0 KJAARN COCCNC(=O)c1coc(COc2ccc3c(c2)[C@@H](c2ccc(C)cc2)N(C(=O)C2CCCC2)CC3)n1 ZINC000037606302 554257370 /nfs/dbraw/zinc/25/73/70/554257370.db2.gz CHVZXNUCERXKPD-MUUNZHRXSA-N 0 0 517.626 4.603 50 0 KJAARN COCCNC(=O)c1coc(COc2ccc3c(c2)[C@H](c2ccc(C)cc2)N(C(=O)C2CCCC2)CC3)n1 ZINC000037606305 554257265 /nfs/dbraw/zinc/25/72/65/554257265.db2.gz CHVZXNUCERXKPD-NDEPHWFRSA-N 0 0 517.626 4.603 50 0 KJAARN COCCNC(=O)c1ccc(COc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)o1 ZINC000037606313 554257288 /nfs/dbraw/zinc/25/72/88/554257288.db2.gz BJUZKASNPGXAKL-NDEPHWFRSA-N 0 0 508.590 4.894 50 0 KJAARN COCCNC(=O)c1ccc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)o1 ZINC000037606315 554257364 /nfs/dbraw/zinc/25/73/64/554257364.db2.gz BJUZKASNPGXAKL-MUUNZHRXSA-N 0 0 508.590 4.894 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCOCC4)o3)cc2[C@@H]1c1ccc(F)cc1 ZINC000037606589 554257486 /nfs/dbraw/zinc/25/74/86/554257486.db2.gz BQMDKDSFEMEJKF-MHZLTWQESA-N 0 0 506.574 4.600 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCOCC4)o3)cc2[C@H]1c1ccc(F)cc1 ZINC000037606592 554257591 /nfs/dbraw/zinc/25/75/91/554257591.db2.gz BQMDKDSFEMEJKF-HHHXNRCGSA-N 0 0 506.574 4.600 50 0 KJAARN CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCOCC4)o3)cc2[C@@H]1c1ccccc1 ZINC000037606692 554257523 /nfs/dbraw/zinc/25/75/23/554257523.db2.gz ZNBIQBFORFPEES-MHZLTWQESA-N 0 0 502.611 4.851 50 0 KJAARN CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCOCC4)o3)cc2[C@H]1c1ccccc1 ZINC000037606696 554257552 /nfs/dbraw/zinc/25/75/52/554257552.db2.gz ZNBIQBFORFPEES-HHHXNRCGSA-N 0 0 502.611 4.851 50 0 KJAARN Cc1cccc([C@@H]2c3cc(OCc4ccc(C(=O)N5CCOCC5)o4)ccc3CCN2C(=O)C2CC2)c1 ZINC000037606869 554257740 /nfs/dbraw/zinc/25/77/40/554257740.db2.gz ICYUOGNBTXTVAM-MUUNZHRXSA-N 0 0 500.595 4.524 50 0 KJAARN Cc1cccc([C@H]2c3cc(OCc4ccc(C(=O)N5CCOCC5)o4)ccc3CCN2C(=O)C2CC2)c1 ZINC000037606873 554257828 /nfs/dbraw/zinc/25/78/28/554257828.db2.gz ICYUOGNBTXTVAM-NDEPHWFRSA-N 0 0 500.595 4.524 50 0 KJAARN CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCOCC4)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000037607422 554257951 /nfs/dbraw/zinc/25/79/51/554257951.db2.gz PEPKQKDYFUGHSX-MHZLTWQESA-N 0 0 520.601 4.990 50 0 KJAARN CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCOCC4)o3)cc2[C@H]1c1cccc(F)c1 ZINC000037607425 554257913 /nfs/dbraw/zinc/25/79/13/554257913.db2.gz PEPKQKDYFUGHSX-HHHXNRCGSA-N 0 0 520.601 4.990 50 0 KJAARN CC(C)CN(C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000037609948 554258308 /nfs/dbraw/zinc/25/83/08/554258308.db2.gz NDWUEFFHLFZFDJ-QFIPXVFZSA-N 0 0 512.956 4.763 50 0 KJAARN CC(C)CN(C[C@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000037609951 554258263 /nfs/dbraw/zinc/25/82/63/554258263.db2.gz NDWUEFFHLFZFDJ-JOCHJYFZSA-N 0 0 512.956 4.763 50 0 KJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037611633 554258392 /nfs/dbraw/zinc/25/83/92/554258392.db2.gz KFRKJZGCYQYYSB-XMMPIXPASA-N 0 0 526.464 4.836 50 0 KJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037611636 554258503 /nfs/dbraw/zinc/25/85/03/554258503.db2.gz KFRKJZGCYQYYSB-DEOSSOPVSA-N 0 0 526.464 4.836 50 0 KJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc3c4ccccc4[nH]c3c2=O)cc1OC ZINC000038139073 554258891 /nfs/dbraw/zinc/25/88/91/554258891.db2.gz JTWXDSXODKJDQC-UHFFFAOYSA-N 0 0 543.605 4.573 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000038139218 554259606 /nfs/dbraw/zinc/25/96/06/554259606.db2.gz DNXHGPIBAIPAOW-LDLOPFEMSA-N 0 0 545.661 4.545 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCN(Cc2ccccc2)CC1 ZINC000038139220 554259549 /nfs/dbraw/zinc/25/95/49/554259549.db2.gz PSHFOWBZYMLULJ-UHFFFAOYSA-N 0 0 569.658 4.777 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)N1CCN(Cc2ccccc2)CC1 ZINC000038139222 554259548 /nfs/dbraw/zinc/25/95/48/554259548.db2.gz YNSAAZKXUASUHH-UHFFFAOYSA-N 0 0 551.668 4.638 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3OC)c2)C1 ZINC000038139385 554260151 /nfs/dbraw/zinc/26/01/51/554260151.db2.gz GDDPSVGNXFHLDT-XMMPIXPASA-N 0 0 536.650 4.506 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3OC)c2)C1 ZINC000038139386 554260164 /nfs/dbraw/zinc/26/01/64/554260164.db2.gz GDDPSVGNXFHLDT-DEOSSOPVSA-N 0 0 536.650 4.506 50 0 KJAARN COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5cccc(C(F)(F)F)c5)CC4)c23)cc1 ZINC000038139541 554260826 /nfs/dbraw/zinc/26/08/26/554260826.db2.gz LRYHVBOOASGQNX-UHFFFAOYSA-N 0 0 534.585 4.897 50 0 KJAARN O=C(NCCCN1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O ZINC000038139948 554261900 /nfs/dbraw/zinc/26/19/00/554261900.db2.gz BNZPDENCVXRJMM-JDXGNMNLSA-N 0 0 598.103 4.756 50 0 biogenic KJAARN O=C(NCCCN1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000038139950 554261876 /nfs/dbraw/zinc/26/18/76/554261876.db2.gz BNZPDENCVXRJMM-MFMCTBQISA-N 0 0 598.103 4.756 50 0 biogenic KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000038140397 554263424 /nfs/dbraw/zinc/26/34/24/554263424.db2.gz QIIYAUFUGUBELH-UHFFFAOYSA-N 0 0 536.679 4.573 50 0 KJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000038140428 554263304 /nfs/dbraw/zinc/26/33/04/554263304.db2.gz YRTXDZKFDAVUBW-UHFFFAOYSA-N 0 0 532.493 4.772 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)ccc1Cl ZINC000038140490 554263975 /nfs/dbraw/zinc/26/39/75/554263975.db2.gz HXFRQMAAIGNPOJ-UHFFFAOYSA-N 0 0 536.123 4.847 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000038140501 554264003 /nfs/dbraw/zinc/26/40/03/554264003.db2.gz FTXHHQMYUXGCIH-KXQOOQHDSA-N 0 0 552.052 4.581 50 0 KJAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc32)cc1 ZINC000038141501 554264706 /nfs/dbraw/zinc/26/47/06/554264706.db2.gz UKRDQCGAVOUISY-UHFFFAOYSA-N 0 0 547.677 4.548 50 0 biogenic KJAARN COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3ccccc3F)c3ccccc23)cc1OC ZINC000038141517 554264933 /nfs/dbraw/zinc/26/49/33/554264933.db2.gz AWDHVNRCORZZTM-UHFFFAOYSA-N 0 0 535.641 4.679 50 0 KJAARN CCOc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc32)cc1 ZINC000038141527 554264875 /nfs/dbraw/zinc/26/48/75/554264875.db2.gz UZJKJGUQVAPYHL-UHFFFAOYSA-N 0 0 531.634 4.972 50 0 KJAARN CCOc1ccc(C(=O)NCCn2cc(SCC(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc32)cc1 ZINC000038141528 554264928 /nfs/dbraw/zinc/26/49/28/554264928.db2.gz NXASAIRERRWVEW-UHFFFAOYSA-N 0 0 561.704 4.938 50 0 biogenic KJAARN O=C(CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000038141533 554264848 /nfs/dbraw/zinc/26/48/48/554264848.db2.gz AMJYDDUQISFTJN-UHFFFAOYSA-N 0 0 523.561 4.852 50 0 KJAARN COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3c(F)cccc3F)c3ccccc23)cc1OC ZINC000038141534 554264833 /nfs/dbraw/zinc/26/48/33/554264833.db2.gz LJRUTKJHIBXKHZ-UHFFFAOYSA-N 0 0 553.631 4.818 50 0 KJAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc32)cc1OC ZINC000038141539 554264937 /nfs/dbraw/zinc/26/49/37/554264937.db2.gz VFKLHAZRRBMWCW-UHFFFAOYSA-N 0 0 547.633 4.591 50 0 KJAARN COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3ccc(OC)c(OC)c3)c3ccccc23)cc1OC ZINC000038141540 554264912 /nfs/dbraw/zinc/26/49/12/554264912.db2.gz RSVYCKGHWMWELH-UHFFFAOYSA-N 0 0 577.703 4.557 50 0 biogenic KJAARN COc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c3ccccc3n2)cc(OC)c1OC ZINC000038141730 554265166 /nfs/dbraw/zinc/26/51/66/554265166.db2.gz UXYQLZISHHXXSY-UHFFFAOYSA-N 0 0 535.622 4.739 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c1 ZINC000038141731 554265229 /nfs/dbraw/zinc/26/52/29/554265229.db2.gz FACDMHIBPCZQKQ-UHFFFAOYSA-N 0 0 565.648 4.916 50 0 KJAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000038141933 554265198 /nfs/dbraw/zinc/26/51/98/554265198.db2.gz MXYFWKHLICARCR-UHFFFAOYSA-N 0 0 520.558 4.768 50 0 KJAARN CN(C)C(=O)COc1ccccc1C(=O)OCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000038141953 554265178 /nfs/dbraw/zinc/26/51/78/554265178.db2.gz MHTKYPDRXLVYIO-UHFFFAOYSA-N 0 0 527.371 4.504 50 0 KJAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000038142028 554265175 /nfs/dbraw/zinc/26/51/75/554265175.db2.gz QLNFOIHEIJFLHS-UHFFFAOYSA-N 0 0 537.642 4.589 50 0 KJAARN Cc1c(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(F)cc3)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000038145409 554267318 /nfs/dbraw/zinc/26/73/18/554267318.db2.gz BIUIRGAQFSMOCA-UHFFFAOYSA-N 0 0 577.465 4.704 50 0 KJAARN COc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)c3ccccc3n2)cc(OC)c1OC ZINC000038145696 554267630 /nfs/dbraw/zinc/26/76/30/554267630.db2.gz LTWJMQDMVFVNEK-UHFFFAOYSA-N 0 0 577.659 4.509 50 0 KJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000038145774 554267786 /nfs/dbraw/zinc/26/77/86/554267786.db2.gz GALSECMVGWTIIH-UHFFFAOYSA-N 0 0 532.493 4.772 50 0 KJAARN Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000038145809 554268099 /nfs/dbraw/zinc/26/80/99/554268099.db2.gz XMJIZLLIJSATQA-UHFFFAOYSA-N 0 0 531.984 4.553 50 0 KJAARN COc1cc(NC(=O)C2=C(N3CCOCC3)/C(=C\c3ccc(Br)cc3)CC2)cc(OC)c1OC ZINC000038146225 554269868 /nfs/dbraw/zinc/26/98/68/554269868.db2.gz MAISCPBEPRDSHT-JXAWBTAJSA-N 0 0 529.431 4.877 50 0 KJAARN O=S(=O)(c1nnn2c1nc(NC1CCN(Cc3ccccc3)CC1)c1cc(Cl)ccc12)c1ccccc1 ZINC000038146967 554269924 /nfs/dbraw/zinc/26/99/24/554269924.db2.gz GTSWEASKGKSAIN-UHFFFAOYSA-N 0 0 533.057 4.840 50 0 KJAARN COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000038147454 554270443 /nfs/dbraw/zinc/27/04/43/554270443.db2.gz IYOZOWCADJZVQX-XMMPIXPASA-N 0 0 543.414 4.579 50 0 KJAARN Cc1cc(C2(c3cc(C)c(NC(=O)CN4CCOCC4)c(C)c3)CCCCC2)cc(C)c1NC(=O)CN1CCOCC1 ZINC000038149501 554270868 /nfs/dbraw/zinc/27/08/68/554270868.db2.gz ILBQZRWMQANTMY-UHFFFAOYSA-N 0 0 576.782 4.712 50 0 KJAARN CCOc1ccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccncc3)c2)cc1 ZINC000038150071 554271251 /nfs/dbraw/zinc/27/12/51/554271251.db2.gz DCBUXLLABYPISO-QPPBQGQZSA-N 0 0 549.631 4.770 50 0 KJAARN Cc1oc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)c2c1c(C)n[nH]c2=O ZINC000038151085 554271766 /nfs/dbraw/zinc/27/17/66/554271766.db2.gz ILLRTMMYTGZBCP-UHFFFAOYSA-N 0 0 539.520 4.577 50 0 KJAARN O=C(c1ccc(F)cc1)[C@@H](CCCCC[C@@H](CN1CCOCC1)C(=O)c1ccc(F)cc1)CN1CCOCC1 ZINC000038152521 554272758 /nfs/dbraw/zinc/27/27/58/554272758.db2.gz QAECBDXCFKOMLD-SVBPBHIXSA-N 0 0 542.667 4.878 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000038152762 554272838 /nfs/dbraw/zinc/27/28/38/554272838.db2.gz XYPOFCOXPGPNAR-UHFFFAOYSA-N 0 0 531.984 4.553 50 0 KJAARN COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5cccc(Br)c5)CC4)c23)cc1 ZINC000038152795 554273045 /nfs/dbraw/zinc/27/30/45/554273045.db2.gz BQMWLIFBWYZYIM-UHFFFAOYSA-N 0 0 545.484 4.640 50 0 KJAARN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000038154848 554273606 /nfs/dbraw/zinc/27/36/06/554273606.db2.gz KULUJIKJDQNVTK-UHFFFAOYSA-N 0 0 541.515 4.587 50 0 KJAARN CCN(CC)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc1 ZINC000038744983 554275329 /nfs/dbraw/zinc/27/53/29/554275329.db2.gz HECCJXFKDIMKMU-SFBITKCESA-N 0 0 501.606 4.659 50 0 KJAARN Cc1cc(C)n(CCN(C(=O)CCCS(=O)(=O)c2ccccc2)c2nc3c(cc(F)cc3F)s2)n1 ZINC000038902492 554278287 /nfs/dbraw/zinc/27/82/87/554278287.db2.gz SQBIFJMHKMVTMT-UHFFFAOYSA-N 0 0 518.611 4.675 50 0 KJAARN CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2 ZINC000038913962 554278337 /nfs/dbraw/zinc/27/83/37/554278337.db2.gz QWKAUGRRIXBIPO-UHFFFAOYSA-N 0 0 527.637 4.790 50 0 investigational KJAARN CCOC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000039248969 554278702 /nfs/dbraw/zinc/27/87/02/554278702.db2.gz RJEOTYAVVAKHEY-HOKHCIIBSA-N 0 0 502.405 4.796 50 0 KJAARN CCOC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1 ZINC000039248970 554278623 /nfs/dbraw/zinc/27/86/23/554278623.db2.gz RJEOTYAVVAKHEY-LFAGZIFBSA-N 0 0 502.405 4.796 50 0 KJAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cc(OC)ccc3OC)c(N3CCCC3)nc2c1 ZINC000039420971 1067162529 /nfs/dbraw/zinc/16/25/29/1067162529.db2.gz BHWIPDKELGPCID-DEOSSOPVSA-N 0 0 505.615 4.682 50 0 KJAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cc(OC)ccc3OC)c(N3CCCC3)nc2c1 ZINC000039420972 1067162584 /nfs/dbraw/zinc/16/25/84/1067162584.db2.gz BHWIPDKELGPCID-XMMPIXPASA-N 0 0 505.615 4.682 50 0 KJAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(OC)c(OC)c3)c(N3CCCC3)nc2c1 ZINC000039430036 1067162419 /nfs/dbraw/zinc/16/24/19/1067162419.db2.gz ITXFLUYBCZEHIW-DEOSSOPVSA-N 0 0 505.615 4.682 50 0 KJAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(OC)c(OC)c3)c(N3CCCC3)nc2c1 ZINC000039430037 1067162587 /nfs/dbraw/zinc/16/25/87/1067162587.db2.gz ITXFLUYBCZEHIW-XMMPIXPASA-N 0 0 505.615 4.682 50 0 KJAARN Cc1ccc2nc(N3CCCC3)c(CN(CCCN3CCCC3=O)C(=O)c3ccc4c(c3)OCO4)cc2c1 ZINC000039509675 1067162254 /nfs/dbraw/zinc/16/22/54/1067162254.db2.gz LAQWVKKAFVJXSR-UHFFFAOYSA-N 0 0 514.626 4.527 50 0 KJAARN COc1cc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)cc(OC)c1 ZINC000039551399 554279676 /nfs/dbraw/zinc/27/96/76/554279676.db2.gz UGNLZYWOOQKVBI-CUBQBAPOSA-N 0 0 526.052 4.588 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)N([C@@H]1CC(=O)N(c3ccccc3)C1=O)CC2 ZINC000039709970 554279660 /nfs/dbraw/zinc/27/96/60/554279660.db2.gz CHFZDZFEGRNZCK-ATIYNZHBSA-N 0 0 521.411 4.746 50 0 KJAARN CC[C@H](Sc1nnc(CC(=O)Nc2ccc(OC)cc2)n1-c1ccccc1)C(=O)Nc1ccccc1 ZINC000039751061 554280026 /nfs/dbraw/zinc/28/00/26/554280026.db2.gz UPWZQBIDZWSKTA-QHCPKHFHSA-N 0 0 501.612 4.967 50 0 KJAARN CC[C@@H](Sc1nnc(CC(=O)Nc2ccc(OC)cc2)n1-c1ccccc1)C(=O)Nc1ccccc1 ZINC000039751062 554280056 /nfs/dbraw/zinc/28/00/56/554280056.db2.gz UPWZQBIDZWSKTA-HSZRJFAPSA-N 0 0 501.612 4.967 50 0 KJAARN COC(=O)CN1c2ccccc2C(=O)N(Cc2ccccc2)[P@]1(=O)C(=S)Nc1ccc(OC)cc1 ZINC000039931268 554281257 /nfs/dbraw/zinc/28/12/57/554281257.db2.gz FRHGVHIRNCHSEJ-UMSFTDKQSA-N 0 0 509.524 4.921 50 0 KJAARN COC(=O)CN1c2ccccc2C(=O)N(Cc2ccccc2)[P@@]1(=O)C(=S)Nc1ccc(OC)cc1 ZINC000039931269 554281199 /nfs/dbraw/zinc/28/11/99/554281199.db2.gz FRHGVHIRNCHSEJ-UUWRZZSWSA-N 0 0 509.524 4.921 50 0 KJAARN COC(=O)c1cc(Cc2c(C)c3ccccc3n2S(=O)(=O)c2ccccc2)c(NC(C)=O)cc1OC ZINC000039933070 554281314 /nfs/dbraw/zinc/28/13/14/554281314.db2.gz CFATWKDDQVOFJK-UHFFFAOYSA-N 0 0 506.580 4.531 50 0 KJAARN Cc1ccc(-n2c(/C=C3/C(=O)Nc4ccccc43)nc3ccc(I)cc3c2=O)cc1 ZINC000039949398 554281717 /nfs/dbraw/zinc/28/17/17/554281717.db2.gz GDFCOPJQXFPAFT-QGOAFFKASA-N 0 0 505.315 4.791 50 0 KJAARN Cc1ccc2c(c1)/C(=C\c1nc3ccc(I)cc3c(=O)n1-c1ccccc1)C(=O)N2 ZINC000039949399 554281570 /nfs/dbraw/zinc/28/15/70/554281570.db2.gz SJYOHTSAQPEQDD-QGOAFFKASA-N 0 0 505.315 4.791 50 0 KJAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000040400137 554284671 /nfs/dbraw/zinc/28/46/71/554284671.db2.gz JFINBEUZVNOTMB-KAYWLYCHSA-N 0 0 518.057 4.862 50 0 KJAARN COc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000040400139 554284465 /nfs/dbraw/zinc/28/44/65/554284465.db2.gz JFINBEUZVNOTMB-SXOMAYOGSA-N 0 0 518.057 4.862 50 0 KJAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000040400141 554284601 /nfs/dbraw/zinc/28/46/01/554284601.db2.gz JFINBEUZVNOTMB-RRPNLBNLSA-N 0 0 518.057 4.862 50 0 KJAARN COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000040400143 554284650 /nfs/dbraw/zinc/28/46/50/554284650.db2.gz JFINBEUZVNOTMB-SVBPBHIXSA-N 0 0 518.057 4.862 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2cccc(Cl)c2)C2CC2)c1 ZINC000040400378 554284954 /nfs/dbraw/zinc/28/49/54/554284954.db2.gz IXLHSRFIJSWSKC-UHFFFAOYSA-N 0 0 500.986 5.445 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccc(OC)cc3)cn2-c2ccc(C)cc2)C2CC2)cc1 ZINC000040400554 554284875 /nfs/dbraw/zinc/28/48/75/554284875.db2.gz NZHYQVRZCLIEPZ-UHFFFAOYSA-N 0 0 510.594 5.108 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(C)cc3Br)cc21 ZINC000040450299 554285081 /nfs/dbraw/zinc/28/50/81/554285081.db2.gz IRIPUDFDXXCJQP-UHFFFAOYSA-N 0 0 502.228 4.620 50 0 KJAARN Cc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(Br)c1 ZINC000040450453 554285522 /nfs/dbraw/zinc/28/55/22/554285522.db2.gz DREHQMGFQVGJEC-UHFFFAOYSA-N 0 0 514.239 4.620 50 0 KJAARN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc21 ZINC000040450506 554285511 /nfs/dbraw/zinc/28/55/11/554285511.db2.gz USZMMNPQSMCZAM-UHFFFAOYSA-N 0 0 511.441 4.816 50 0 KJAARN CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450555 554285546 /nfs/dbraw/zinc/28/55/46/554285546.db2.gz ZYQHHFKZCQCDOU-UHFFFAOYSA-N 0 0 517.367 4.982 50 0 KJAARN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)c(Br)cc2C[C@@H]1C ZINC000040450657 554285651 /nfs/dbraw/zinc/28/56/51/554285651.db2.gz KSJYGQQBKNJPES-NSHDSACASA-N 0 0 502.228 4.618 50 0 KJAARN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)c(Br)cc2C[C@H]1C ZINC000040450658 554285717 /nfs/dbraw/zinc/28/57/17/554285717.db2.gz KSJYGQQBKNJPES-LLVKDONJSA-N 0 0 502.228 4.618 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3C)cc21 ZINC000040450820 554285942 /nfs/dbraw/zinc/28/59/42/554285942.db2.gz ZZVDVUVSNHVELA-UHFFFAOYSA-N 0 0 513.841 4.513 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(C(C)C)cc3)cc21 ZINC000040450826 554285996 /nfs/dbraw/zinc/28/59/96/554285996.db2.gz LSYUZCPYFKCIHQ-UHFFFAOYSA-N 0 0 507.450 4.674 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N(CC)c3ccc(C)c(C)c3)cc21 ZINC000040450835 554285979 /nfs/dbraw/zinc/28/59/79/554285979.db2.gz VEMKMZDWAOLUNI-UHFFFAOYSA-N 0 0 521.477 4.582 50 0 KJAARN CC(C)c1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450925 554286408 /nfs/dbraw/zinc/28/64/08/554286408.db2.gz WVHOSWRBUYIAEV-UHFFFAOYSA-N 0 0 519.461 4.674 50 0 KJAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 ZINC000040476183 554286731 /nfs/dbraw/zinc/28/67/31/554286731.db2.gz DBRVYNJAJPZAKI-UHFFFAOYSA-N 0 0 533.694 4.936 50 0 KJAARN CCCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)cc1 ZINC000040476192 554286604 /nfs/dbraw/zinc/28/66/04/554286604.db2.gz LFUIVLRDBZLSCV-UHFFFAOYSA-N 0 0 515.676 4.519 50 0 KJAARN Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2=O)cc1 ZINC000040478449 554286656 /nfs/dbraw/zinc/28/66/56/554286656.db2.gz QEPRBOBBJGRNFY-UHFFFAOYSA-N 0 0 501.892 4.831 50 0 KJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32C(=O)Nc3ccc(Br)cc32)cc1OC ZINC000040487512 554287407 /nfs/dbraw/zinc/28/74/07/554287407.db2.gz STRYJZHDJLNWCH-NBGIEHNGSA-N 0 0 506.356 4.815 50 0 KJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32C(=O)Nc3ccc(Br)cc32)cc1OC ZINC000040487513 554287431 /nfs/dbraw/zinc/28/74/31/554287431.db2.gz STRYJZHDJLNWCH-CJFMBICVSA-N 0 0 506.356 4.815 50 0 KJAARN COc1cc(-c2c3c(N)c(C(=O)Nc4ccccc4)sc3nc3c2CN(C)CC3)cc(OC)c1OC ZINC000040570113 554287720 /nfs/dbraw/zinc/28/77/20/554287720.db2.gz KASNVIFPGWMNQU-UHFFFAOYSA-N 0 0 504.612 4.812 50 0 KJAARN CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041024898 554291607 /nfs/dbraw/zinc/29/16/07/554291607.db2.gz ARRYRQMQEOQAJM-HXUWFJFHSA-N 0 0 502.036 4.878 50 0 KJAARN CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041024899 554292019 /nfs/dbraw/zinc/29/20/19/554292019.db2.gz ARRYRQMQEOQAJM-FQEVSTJZSA-N 0 0 502.036 4.878 50 0 KJAARN CCOc1cc(C(=O)Nc2ccc(C)cc2OCc2cc(=O)n3oc(C)cc3n2)cc(OCC)c1OCC ZINC000041077207 554292170 /nfs/dbraw/zinc/29/21/70/554292170.db2.gz RGGXJQGGFQUYFI-UHFFFAOYSA-N 0 0 521.570 4.932 50 0 KJAARN CCOc1cc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc(OCC)c1OCC ZINC000041077213 554292180 /nfs/dbraw/zinc/29/21/80/554292180.db2.gz KPNTXZHJSYHFSR-UHFFFAOYSA-N 0 0 521.570 4.932 50 0 KJAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)COc3cccc(C(F)(F)F)c3)cc(=O)n2o1 ZINC000041077228 554292215 /nfs/dbraw/zinc/29/22/15/554292215.db2.gz LGPLEPBOWUEZHT-UHFFFAOYSA-N 0 0 507.852 4.865 50 0 KJAARN Cc1cc2nc(COC(=O)c3ccc(Cl)c(NC(=O)c4ccccc4C(F)(F)F)c3)cc(=O)n2o1 ZINC000041077246 554292234 /nfs/dbraw/zinc/29/22/34/554292234.db2.gz MOSJSIMZYIJABW-UHFFFAOYSA-N 0 0 505.836 4.877 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)cc1 ZINC000041085837 554294651 /nfs/dbraw/zinc/29/46/51/554294651.db2.gz ZHDZGESRCQGFDO-UHFFFAOYSA-N 0 0 522.074 4.727 50 0 KJAARN COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000041089532 554294594 /nfs/dbraw/zinc/29/45/94/554294594.db2.gz NTYFZJPTUQYSSW-UHFFFAOYSA-N 0 0 502.310 4.521 50 0 KJAARN Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)cc(=O)n2o1 ZINC000041089596 554294620 /nfs/dbraw/zinc/29/46/20/554294620.db2.gz OTOQQJMWLGUDBB-UHFFFAOYSA-N 0 0 503.555 4.576 50 0 KJAARN CCOc1cc(C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)cc(OCC)c1OCC ZINC000041089660 554294840 /nfs/dbraw/zinc/29/48/40/554294840.db2.gz LTBPSNKXUOOWIM-UHFFFAOYSA-N 0 0 507.543 4.623 50 0 KJAARN CC(C)c1nccn1S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)n3ccnc3C(C)C)cc2)cc1 ZINC000041096931 554294937 /nfs/dbraw/zinc/29/49/37/554294937.db2.gz XDNZPVGDZIRPJE-UHFFFAOYSA-N 0 0 514.629 4.593 50 0 KJAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000041128063 554295894 /nfs/dbraw/zinc/29/58/94/554295894.db2.gz WXBMGCCSWQLWKZ-LJAQVGFWSA-N 0 0 517.004 4.637 50 0 KJAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000041128065 554295859 /nfs/dbraw/zinc/29/58/59/554295859.db2.gz WXBMGCCSWQLWKZ-GDLZYMKVSA-N 0 0 517.004 4.637 50 0 KJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(-c2ccc(Cl)cc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000041155296 554295868 /nfs/dbraw/zinc/29/58/68/554295868.db2.gz FJAFPOUXMULFOH-MRXNPFEDSA-N 0 0 514.818 4.887 50 0 KJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(-c2ccc(Cl)cc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000041155300 554295827 /nfs/dbraw/zinc/29/58/27/554295827.db2.gz FJAFPOUXMULFOH-INIZCTEOSA-N 0 0 514.818 4.887 50 0 KJAARN COc1ccc(CNC(=O)CCNC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 ZINC000041155466 554295752 /nfs/dbraw/zinc/29/57/52/554295752.db2.gz XHJUHLCXXZWIEK-UHFFFAOYSA-N 0 0 505.427 4.521 50 0 KJAARN CCc1ccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041155857 554295732 /nfs/dbraw/zinc/29/57/32/554295732.db2.gz QRRVJFQGJWPYCL-JOCHJYFZSA-N 0 0 511.644 4.524 50 0 KJAARN CCc1ccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041155860 554295813 /nfs/dbraw/zinc/29/58/13/554295813.db2.gz QRRVJFQGJWPYCL-QFIPXVFZSA-N 0 0 511.644 4.524 50 0 KJAARN CC(C)COc1ccc(-c2cc(NC(=O)COc3ccccc3Cl)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000041155863 554295817 /nfs/dbraw/zinc/29/58/17/554295817.db2.gz LQOUSYRETWXYDV-LJQANCHMSA-N 0 0 518.035 4.615 50 0 KJAARN CC(C)COc1ccc(-c2cc(NC(=O)COc3ccccc3Cl)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000041155866 554295901 /nfs/dbraw/zinc/29/59/01/554295901.db2.gz LQOUSYRETWXYDV-IBGZPJMESA-N 0 0 518.035 4.615 50 0 KJAARN Cc1cc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C ZINC000041155870 554295889 /nfs/dbraw/zinc/29/58/89/554295889.db2.gz BMOWZOSUSJOPEZ-HXUWFJFHSA-N 0 0 518.035 4.676 50 0 KJAARN Cc1cc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n([C@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C ZINC000041155873 554295801 /nfs/dbraw/zinc/29/58/01/554295801.db2.gz BMOWZOSUSJOPEZ-FQEVSTJZSA-N 0 0 518.035 4.676 50 0 KJAARN Cc1cccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@@H]2CCS(=O)(=O)C2)c1C ZINC000041155977 554295906 /nfs/dbraw/zinc/29/59/06/554295906.db2.gz JYUPVAZDMXRVAE-JOCHJYFZSA-N 0 0 511.644 4.579 50 0 KJAARN Cc1cccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@H]2CCS(=O)(=O)C2)c1C ZINC000041155982 554295805 /nfs/dbraw/zinc/29/58/05/554295805.db2.gz JYUPVAZDMXRVAE-QFIPXVFZSA-N 0 0 511.644 4.579 50 0 KJAARN Cc1cccc(OCC(=O)Nc2cc(-c3ccc(OC(C)C)c(C)c3)nn2[C@@H]2CCS(=O)(=O)C2)c1C ZINC000041155992 554296183 /nfs/dbraw/zinc/29/61/83/554296183.db2.gz ZIVGTCXJGDMGAX-JOCHJYFZSA-N 0 0 511.644 4.640 50 0 KJAARN Cc1cccc(OCC(=O)Nc2cc(-c3ccc(OC(C)C)c(C)c3)nn2[C@H]2CCS(=O)(=O)C2)c1C ZINC000041155997 554296138 /nfs/dbraw/zinc/29/61/38/554296138.db2.gz ZIVGTCXJGDMGAX-QFIPXVFZSA-N 0 0 511.644 4.640 50 0 KJAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccc(OC(C)C)c(C)c3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000041156034 554296056 /nfs/dbraw/zinc/29/60/56/554296056.db2.gz SVJQZVABAIDCMC-JOCHJYFZSA-N 0 0 511.644 4.640 50 0 KJAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccc(OC(C)C)c(C)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000041156037 554296115 /nfs/dbraw/zinc/29/61/15/554296115.db2.gz SVJQZVABAIDCMC-QFIPXVFZSA-N 0 0 511.644 4.640 50 0 KJAARN Cc1cc(-c2cc(NC(=O)COc3ccccc3Cl)n([C@@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C ZINC000041156056 554296168 /nfs/dbraw/zinc/29/61/68/554296168.db2.gz XXRFEZQLRBKQEB-LJQANCHMSA-N 0 0 518.035 4.676 50 0 KJAARN Cc1cc(-c2cc(NC(=O)COc3ccccc3Cl)n([C@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C ZINC000041156059 554296199 /nfs/dbraw/zinc/29/61/99/554296199.db2.gz XXRFEZQLRBKQEB-IBGZPJMESA-N 0 0 518.035 4.676 50 0 KJAARN CCc1ccc(OCC(=O)Nc2cc(-c3ccc(OC(C)C)c(C)c3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041156066 554296149 /nfs/dbraw/zinc/29/61/49/554296149.db2.gz VXZBTXPCLOZWPC-JOCHJYFZSA-N 0 0 511.644 4.585 50 0 KJAARN CCc1ccc(OCC(=O)Nc2cc(-c3ccc(OC(C)C)c(C)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041156069 554296067 /nfs/dbraw/zinc/29/60/67/554296067.db2.gz VXZBTXPCLOZWPC-QFIPXVFZSA-N 0 0 511.644 4.585 50 0 KJAARN CC(C)COc1ccc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000041156094 554296176 /nfs/dbraw/zinc/29/61/76/554296176.db2.gz DXCRFFFXJVDWIX-HXUWFJFHSA-N 0 0 518.035 4.615 50 0 KJAARN CC(C)COc1ccc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000041156098 554296153 /nfs/dbraw/zinc/29/61/53/554296153.db2.gz DXCRFFFXJVDWIX-FQEVSTJZSA-N 0 0 518.035 4.615 50 0 KJAARN COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)c2nc(SCc3ccccc3)ncc2Cl)cc1 ZINC000041156216 554296077 /nfs/dbraw/zinc/29/60/77/554296077.db2.gz VSHYARMXHHLCLQ-QFIPXVFZSA-N 0 0 513.063 4.892 50 0 KJAARN COc1ccc(CNC(=O)[C@@H](CC(C)C)NC(=O)c2nc(SCc3ccccc3)ncc2Cl)cc1 ZINC000041156220 554296194 /nfs/dbraw/zinc/29/61/94/554296194.db2.gz VSHYARMXHHLCLQ-JOCHJYFZSA-N 0 0 513.063 4.892 50 0 KJAARN COc1ccc(NC(=O)CCNC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)c(OC)c1 ZINC000041156863 554296134 /nfs/dbraw/zinc/29/61/34/554296134.db2.gz XTQOWXPPLQWVEP-UHFFFAOYSA-N 0 0 501.008 4.507 50 0 KJAARN CCSc1ncc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc2)n1 ZINC000041156926 554296063 /nfs/dbraw/zinc/29/60/63/554296063.db2.gz UGBDOZYTTADLNI-SFHVURJKSA-N 0 0 519.852 4.984 50 0 KJAARN CCSc1ncc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc2)n1 ZINC000041156929 554296158 /nfs/dbraw/zinc/29/61/58/554296158.db2.gz UGBDOZYTTADLNI-GOSISDBHSA-N 0 0 519.852 4.984 50 0 KJAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)Oc4ccccc43)cc2)cc(C)c1Cl ZINC000041158058 554296393 /nfs/dbraw/zinc/29/63/93/554296393.db2.gz LSDFCSUYWJVCOM-SFHVURJKSA-N 0 0 501.004 4.951 50 0 KJAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)Oc4ccccc43)cc2)cc(C)c1Cl ZINC000041158062 554296542 /nfs/dbraw/zinc/29/65/42/554296542.db2.gz LSDFCSUYWJVCOM-GOSISDBHSA-N 0 0 501.004 4.951 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c2ccccc2O1 ZINC000041158078 554296350 /nfs/dbraw/zinc/29/63/50/554296350.db2.gz IEMBLBVTLQJWRQ-OAHLLOKOSA-N 0 0 507.395 4.987 50 0 KJAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c2ccccc2O1 ZINC000041158082 554296518 /nfs/dbraw/zinc/29/65/18/554296518.db2.gz IEMBLBVTLQJWRQ-HNNXBMFYSA-N 0 0 507.395 4.987 50 0 KJAARN COc1cc(C(=O)Nc2cc3cc(Br)cc(Br)c3oc2=O)cc(OC)c1OC ZINC000042837107 554296840 /nfs/dbraw/zinc/29/68/40/554296840.db2.gz KCOXVRXIEOIIHZ-UHFFFAOYSA-N 0 0 513.138 4.596 50 0 KJAARN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(CC(C)(C)O)n(-c3ccccc3)c2=O)nc1 ZINC000043194549 554297752 /nfs/dbraw/zinc/29/77/52/554297752.db2.gz GLBZSOQDAOLMGC-UHFFFAOYSA-N 0 0 539.592 4.715 50 0 in-vitro KJAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1 ZINC000043202455 554298162 /nfs/dbraw/zinc/29/81/62/554298162.db2.gz LAMQVIQMVKWXOC-UHFFFAOYSA-N 0 0 516.652 4.974 50 0 investigational KJAARN CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 ZINC000043205655 554298171 /nfs/dbraw/zinc/29/81/71/554298171.db2.gz MDSQOJYHHZBZKA-GBXCKJPGSA-N 0 0 574.991 4.989 50 0 world KJAARN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC000043552569 554298626 /nfs/dbraw/zinc/29/86/26/554298626.db2.gz SVNKEDMVAQBLLN-SVBPBHIXSA-N 0 0 641.762 4.936 50 0 in-vivo KJAARN 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COc1ccc(Br)cc1-c1nc(COC(=O)c2nnn(-c3ccc(F)cc3)c2C)c(C)o1 ZINC000045900393 554313673 /nfs/dbraw/zinc/31/36/73/554313673.db2.gz OJUBKNAFLMBYCY-UHFFFAOYSA-N 0 0 501.312 4.806 50 0 KJAARN COc1cccc(-c2nc(COC(=O)c3nnn(-c4ccc(Br)cc4)c3C)c(C)o2)c1OC ZINC000045900400 554313637 /nfs/dbraw/zinc/31/36/37/554313637.db2.gz OKKUSKSJMNDZTQ-UHFFFAOYSA-N 0 0 513.348 4.676 50 0 KJAARN COc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(Br)cc4)c3C)c(C)o2)c(OC)c1 ZINC000045900403 554313740 /nfs/dbraw/zinc/31/37/40/554313740.db2.gz YKXRFSKZJUDQRP-UHFFFAOYSA-N 0 0 513.348 4.676 50 0 KJAARN COc1ccc(-n2nnc(C(=O)OCc3nc(-c4cc(Br)ccc4OC)oc3C)c2C)cc1 ZINC000045900412 554313984 /nfs/dbraw/zinc/31/39/84/554313984.db2.gz JTRDECCDOCUGBS-UHFFFAOYSA-N 0 0 513.348 4.676 50 0 KJAARN COc1cc(-c2nc(COC(=O)c3nnn(-c4cccc(SC)c4)c3C)c(C)o2)cc(OC)c1OC ZINC000045900451 554314011 /nfs/dbraw/zinc/31/40/11/554314011.db2.gz FIXPJJZZMOWBEM-UHFFFAOYSA-N 0 0 510.572 4.644 50 0 KJAARN CCOc1cc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4oc(C)cc4n3)c2)cc(OCC)c1OCC ZINC000045900806 554313952 /nfs/dbraw/zinc/31/39/52/554313952.db2.gz BPHPHNVJBZBPRB-UHFFFAOYSA-N 0 0 521.570 4.932 50 0 KJAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000045900833 554313977 /nfs/dbraw/zinc/31/39/77/554313977.db2.gz BQCFVNYCOCBTQT-UHFFFAOYSA-N 0 0 523.611 4.518 50 0 KJAARN COc1ccccc1CNC(=O)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000045921458 554314015 /nfs/dbraw/zinc/31/40/15/554314015.db2.gz AGVMBVDWYHNULA-UHFFFAOYSA-N 0 0 513.461 4.932 50 0 KJAARN COc1ccc(CNC(=O)C2CCN(c3ccc(Sc4ccc(Br)cc4)nn3)CC2)cc1 ZINC000045921466 554313971 /nfs/dbraw/zinc/31/39/71/554313971.db2.gz YVYJOZOYNFKVBA-UHFFFAOYSA-N 0 0 513.461 4.932 50 0 KJAARN COc1cccc(CNC(=O)C2CCN(c3ccc(Sc4ccc(Br)cc4)nn3)CC2)c1 ZINC000045921523 554314254 /nfs/dbraw/zinc/31/42/54/554314254.db2.gz PTQIPEWFJUPHRG-UHFFFAOYSA-N 0 0 513.461 4.932 50 0 KJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)Nc3ccccc3Cl)c2n1 ZINC000045921728 554314258 /nfs/dbraw/zinc/31/42/58/554314258.db2.gz PXZNIYDEGKVGSK-UHFFFAOYSA-N 0 0 510.775 4.991 50 0 KJAARN CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Br)cc4F)ccn3n2)cc1 ZINC000045921745 554314265 /nfs/dbraw/zinc/31/42/65/554314265.db2.gz FJZYWEDTHXYROL-UHFFFAOYSA-N 0 0 513.367 4.882 50 0 KJAARN COc1cc(-c2nc(COC(=O)c3nnn(-c4ccc(C)c(Cl)c4)c3C)c(C)o2)cc(OC)c1OC ZINC000045921893 554314278 /nfs/dbraw/zinc/31/42/78/554314278.db2.gz HSURRZBQJCSYNF-UHFFFAOYSA-N 0 0 512.950 4.884 50 0 KJAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3Cl)c2=O)cc1)NC1CCCCC1 ZINC000045921950 554314519 /nfs/dbraw/zinc/31/45/19/554314519.db2.gz GOTQYQHHAZTRAC-UHFFFAOYSA-N 0 0 520.004 4.985 50 0 KJAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(Br)cc2)c1=O)NC1CCCCC1 ZINC000045922096 554314533 /nfs/dbraw/zinc/31/45/33/554314533.db2.gz KNRUQEKJYAKADF-UHFFFAOYSA-N 0 0 512.448 4.593 50 0 KJAARN CCOc1ccccc1Cn1c(SCC(=O)NC2CCCCC2)nc2c3cccnc3sc2c1=O ZINC000045922106 554314528 /nfs/dbraw/zinc/31/45/28/554314528.db2.gz WVPXBIILICUSOU-UHFFFAOYSA-N 0 0 508.669 4.994 50 0 KJAARN CCOc1ccccc1Cn1c(SCC(=O)N2CCCC[C@@H]2C)nc2c3cccnc3sc2c1=O ZINC000045922144 554314753 /nfs/dbraw/zinc/31/47/53/554314753.db2.gz LUEJMMOMDIANDY-KRWDZBQOSA-N 0 0 508.669 4.946 50 0 KJAARN CCOc1ccccc1Cn1c(SCC(=O)N2CCCC[C@H]2C)nc2c3cccnc3sc2c1=O ZINC000045922149 554314742 /nfs/dbraw/zinc/31/47/42/554314742.db2.gz LUEJMMOMDIANDY-QGZVFWFLSA-N 0 0 508.669 4.946 50 0 KJAARN CCOc1ccccc1Cn1c(SCC(=O)N2CCC[C@H](C)C2)nc2c3cccnc3sc2c1=O ZINC000045922154 554314796 /nfs/dbraw/zinc/31/47/96/554314796.db2.gz HQGDOWAOWGNGQF-KRWDZBQOSA-N 0 0 508.669 4.804 50 0 KJAARN CCOc1ccccc1Cn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2c3cccnc3sc2c1=O ZINC000045922159 554314726 /nfs/dbraw/zinc/31/47/26/554314726.db2.gz HQGDOWAOWGNGQF-QGZVFWFLSA-N 0 0 508.669 4.804 50 0 KJAARN CCOc1ccccc1Cn1c(SCC(=O)N2CCCCCC2)nc2c3cccnc3sc2c1=O ZINC000045922174 554314721 /nfs/dbraw/zinc/31/47/21/554314721.db2.gz BNPFOWPZEBIGKE-UHFFFAOYSA-N 0 0 508.669 4.948 50 0 KJAARN CCCOc1ccc(Cn2c(SCC(=O)NC3CCCC3)nc3c4cccnc4sc3c2=O)cc1 ZINC000045922198 554314761 /nfs/dbraw/zinc/31/47/61/554314761.db2.gz VSAAEBHVJNRJNU-UHFFFAOYSA-N 0 0 508.669 4.994 50 0 KJAARN CCCOc1ccc(Cn2c(SCC(=O)N3CCCCC3)nc3c4cccnc4sc3c2=O)cc1 ZINC000045922213 554314768 /nfs/dbraw/zinc/31/47/68/554314768.db2.gz AGNQXLQNMHOOQI-UHFFFAOYSA-N 0 0 508.669 4.948 50 0 KJAARN O=C(CSc1nc2c3cccnc3sc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc(F)c(Cl)c1 ZINC000045922449 554314746 /nfs/dbraw/zinc/31/47/46/554314746.db2.gz CQYQEMGUAAATJV-ZDUSSCGKSA-N 0 0 504.996 4.709 50 0 KJAARN O=C(CSc1nc2c3cccnc3sc2c(=O)n1C[C@H]1CCCO1)Nc1ccc(F)c(Cl)c1 ZINC000045922454 554315042 /nfs/dbraw/zinc/31/50/42/554315042.db2.gz CQYQEMGUAAATJV-CYBMUJFWSA-N 0 0 504.996 4.709 50 0 KJAARN CCC(=O)N(C(=O)CC)c1c(S(=O)(=O)c2ccccc2)c(SC)nn1Cc1ccccc1Cl ZINC000045922499 554315061 /nfs/dbraw/zinc/31/50/61/554315061.db2.gz JLMLNISSBWHPOC-UHFFFAOYSA-N 0 0 506.049 4.819 50 0 KJAARN CCC(=O)N(C(=O)CC)c1c(S(=O)(=O)c2ccccc2)c(SC)nn1Cc1cccc(Cl)c1 ZINC000045922504 554315029 /nfs/dbraw/zinc/31/50/29/554315029.db2.gz MBVRKMOPOFXSNH-UHFFFAOYSA-N 0 0 506.049 4.819 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2C[C@@H]2CCCO2)cc1Cl ZINC000045922505 554315066 /nfs/dbraw/zinc/31/50/66/554315066.db2.gz GVCJJMXKIKOMKM-HNNXBMFYSA-N 0 0 501.033 4.878 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2C[C@H]2CCCO2)cc1Cl ZINC000045922510 554315045 /nfs/dbraw/zinc/31/50/45/554315045.db2.gz GVCJJMXKIKOMKM-OAHLLOKOSA-N 0 0 501.033 4.878 50 0 KJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2c3cccnc3sc2c(=O)n1C[C@@H]1CCCO1 ZINC000045922690 554315021 /nfs/dbraw/zinc/31/50/21/554315021.db2.gz DFKAZJSBWSAXDG-HNNXBMFYSA-N 0 0 501.033 4.878 50 0 KJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2c3cccnc3sc2c(=O)n1C[C@H]1CCCO1 ZINC000045922696 554315063 /nfs/dbraw/zinc/31/50/63/554315063.db2.gz DFKAZJSBWSAXDG-OAHLLOKOSA-N 0 0 501.033 4.878 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2C[C@@H]2CCCO2)c(Cl)c1 ZINC000045922710 554315051 /nfs/dbraw/zinc/31/50/51/554315051.db2.gz HPSLXLAKDGEYRK-AWEZNQCLSA-N 0 0 501.033 4.878 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2C[C@H]2CCCO2)c(Cl)c1 ZINC000045922714 554314993 /nfs/dbraw/zinc/31/49/93/554314993.db2.gz HPSLXLAKDGEYRK-CQSZACIVSA-N 0 0 501.033 4.878 50 0 KJAARN CC(=O)c1cccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2Cc2ccccc2)c1 ZINC000045922842 554315191 /nfs/dbraw/zinc/31/51/91/554315191.db2.gz UAVQWLKCJYNOLN-UHFFFAOYSA-N 0 0 500.605 4.988 50 0 KJAARN O=C(CSc1nc2c3cccnc3sc2c(=O)n1Cc1ccccc1)NCCCc1ccccc1 ZINC000045922845 554315232 /nfs/dbraw/zinc/31/52/32/554315232.db2.gz ZCJLMMUYUPIHRT-UHFFFAOYSA-N 0 0 500.649 4.896 50 0 KJAARN O=C(CSc1nc2c3cccnc3sc2c(=O)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000045922851 554315260 /nfs/dbraw/zinc/31/52/60/554315260.db2.gz FJKPBPBLKXSSCR-UHFFFAOYSA-N 0 0 502.577 4.514 50 0 KJAARN CC(=O)c1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2Cc2ccccc2)cc1 ZINC000045922855 554315248 /nfs/dbraw/zinc/31/52/48/554315248.db2.gz WLUGIDUDBXGKKT-UHFFFAOYSA-N 0 0 500.605 4.988 50 0 KJAARN O=C(CSc1nc2c3cccnc3sc2c(=O)n1Cc1ccc(F)cc1)NCCc1ccccc1 ZINC000045923003 554315215 /nfs/dbraw/zinc/31/52/15/554315215.db2.gz GKTHPLWMKHECET-UHFFFAOYSA-N 0 0 504.612 4.645 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc2c3cccnc3sc2c(=O)n1Cc1ccc(F)cc1 ZINC000045923015 554315209 /nfs/dbraw/zinc/31/52/09/554315209.db2.gz RMLHWABKQSWAOD-UHFFFAOYSA-N 0 0 506.584 4.933 50 0 KJAARN Cc1ccc(CNC(=O)CSc2nc3c4cccnc4sc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000045923025 554315241 /nfs/dbraw/zinc/31/52/41/554315241.db2.gz FKXIGWFFXJRTKS-UHFFFAOYSA-N 0 0 504.612 4.911 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000045923029 554315218 /nfs/dbraw/zinc/31/52/18/554315218.db2.gz AUJPBQJHVHYAFX-UHFFFAOYSA-N 0 0 506.584 4.933 50 0 KJAARN COc1ccc(Cn2c(SCC(=O)Nc3ccc(F)cc3)nc3c4cccnc4sc3c2=O)cc1 ZINC000045923142 554315523 /nfs/dbraw/zinc/31/55/23/554315523.db2.gz WLYXIUFKPDDZGL-UHFFFAOYSA-N 0 0 506.584 4.933 50 0 KJAARN COc1ccc(Cn2c(SCC(=O)Nc3ccccc3F)nc3c4cccnc4sc3c2=O)cc1 ZINC000045923150 554315511 /nfs/dbraw/zinc/31/55/11/554315511.db2.gz WRVKWGJGNRQQOP-UHFFFAOYSA-N 0 0 506.584 4.933 50 0 KJAARN COc1ccc(Cn2c(SCC(=O)Nc3cccc(F)c3)nc3c4cccnc4sc3c2=O)cc1 ZINC000045923166 554315482 /nfs/dbraw/zinc/31/54/82/554315482.db2.gz LOAXVNATOPJSAZ-UHFFFAOYSA-N 0 0 506.584 4.933 50 0 KJAARN Cc1ccc(Cn2c(SCC(=O)NCCc3ccccc3)nc3c4cccnc4sc3c2=O)cc1 ZINC000045923219 554315502 /nfs/dbraw/zinc/31/55/02/554315502.db2.gz RDQCZVQVGIQWPL-UHFFFAOYSA-N 0 0 500.649 4.814 50 0 KJAARN Nc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)ncc1S(=O)(=O)c1ccc(Cl)s1 ZINC000045925041 554316120 /nfs/dbraw/zinc/31/61/20/554316120.db2.gz VTCWSRUFDHNTDQ-UHFFFAOYSA-N 0 0 509.849 4.644 50 0 KJAARN Nc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)ncc1S(=O)(=O)c1ccc(Cl)s1 ZINC000045925049 554316081 /nfs/dbraw/zinc/31/60/81/554316081.db2.gz QYVQZCQQWGATTJ-UHFFFAOYSA-N 0 0 509.849 4.644 50 0 KJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000045928239 554316396 /nfs/dbraw/zinc/31/63/96/554316396.db2.gz OBXKNRAYXLUDCO-AREMUKBSSA-N 0 0 503.551 4.594 50 0 KJAARN COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000045928242 554316289 /nfs/dbraw/zinc/31/62/89/554316289.db2.gz OBXKNRAYXLUDCO-SANMLTNESA-N 0 0 503.551 4.594 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc3c4cc(-c5cc(C)ccc5C)nn4ccn23)cc1 ZINC000045971659 554316854 /nfs/dbraw/zinc/31/68/54/554316854.db2.gz AKTXBSIVOUJVKS-UHFFFAOYSA-N 0 0 500.584 4.568 50 0 KJAARN CCCCOc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5OC)n4ccn3n2)cc1 ZINC000045971767 554316864 /nfs/dbraw/zinc/31/68/64/554316864.db2.gz QJELJNSYJFAVEU-UHFFFAOYSA-N 0 0 502.600 4.962 50 0 KJAARN CCCCOc1ccc(-c2cc3c4nnc(SCC(=O)Nc5cccc(OC)c5)n4ccn3n2)cc1 ZINC000045971769 554316833 /nfs/dbraw/zinc/31/68/33/554316833.db2.gz ZKUQJDMWWKOTJV-UHFFFAOYSA-N 0 0 502.600 4.962 50 0 KJAARN CCCCOc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccc(OC)cc5)n4ccn3n2)cc1 ZINC000045971771 554316837 /nfs/dbraw/zinc/31/68/37/554316837.db2.gz QLQIFHMZZBRFFT-UHFFFAOYSA-N 0 0 502.600 4.962 50 0 KJAARN CCCCOc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccc6c(c5)OCO6)n4ccn3n2)cc1 ZINC000045971777 554317065 /nfs/dbraw/zinc/31/70/65/554317065.db2.gz POCHEZGHCFIDCO-UHFFFAOYSA-N 0 0 516.583 4.682 50 0 KJAARN CCCCOc1ccc(-c2cc3c4nnc(SCC(=O)NCc5ccc(C)cc5)n4ccn3n2)cc1 ZINC000045971809 554317015 /nfs/dbraw/zinc/31/70/15/554317015.db2.gz WNIUCPPFRJUGHR-UHFFFAOYSA-N 0 0 500.628 4.940 50 0 KJAARN CCCCOc1ccc(-c2cc3c4nnc(SCC(=O)NCc5ccc(OC)cc5)n4ccn3n2)cc1 ZINC000045971811 554317037 /nfs/dbraw/zinc/31/70/37/554317037.db2.gz URQWZZOAQXXDNW-UHFFFAOYSA-N 0 0 516.627 4.640 50 0 KJAARN COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccc(Br)cc5)n4ccn3n2)cc1 ZINC000045971825 554317011 /nfs/dbraw/zinc/31/70/11/554317011.db2.gz PVPIWQPSWWWICO-UHFFFAOYSA-N 0 0 509.389 4.546 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2cc(Cl)ccc2O3)c1 ZINC000045994577 554317296 /nfs/dbraw/zinc/31/72/96/554317296.db2.gz QJYUKBFEEJVCJS-UHFFFAOYSA-N 0 0 503.942 4.804 50 0 KJAARN CC(=O)c1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2cc(Br)ccc2O3)c1 ZINC000045994587 554317393 /nfs/dbraw/zinc/31/73/93/554317393.db2.gz CHWSRDWUTOKZDJ-UHFFFAOYSA-N 0 0 518.367 4.939 50 0 KJAARN COc1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2cc(Br)ccc2O3)c1 ZINC000045994590 554317354 /nfs/dbraw/zinc/31/73/54/554317354.db2.gz VBCHXMHNDCACDN-UHFFFAOYSA-N 0 0 506.356 4.745 50 0 KJAARN COc1ccccc1NC(=O)Cn1c2c(c(=O)n1-c1ccccc1)Cc1cc(Br)ccc1O2 ZINC000045994593 554317383 /nfs/dbraw/zinc/31/73/83/554317383.db2.gz UZZOOWCMCNICAJ-UHFFFAOYSA-N 0 0 506.356 4.745 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2cccc(OCC)c2O3)cc1 ZINC000045994600 554317337 /nfs/dbraw/zinc/31/73/37/554317337.db2.gz QFUIBXQDXITXEE-UHFFFAOYSA-N 0 0 513.550 4.550 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2cccc(OCC)c2O3)c1 ZINC000045994602 554317571 /nfs/dbraw/zinc/31/75/71/554317571.db2.gz PWTDRSGZPDGOFT-UHFFFAOYSA-N 0 0 513.550 4.550 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c(c(=O)n2-c2cccc(F)c2)Cc2cccc(OC)c2O3)cc1Cl ZINC000045994615 554317576 /nfs/dbraw/zinc/31/75/76/554317576.db2.gz AYPXFYOPAAOSHR-UHFFFAOYSA-N 0 0 509.921 4.784 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccc(C)c(C)c2)Cc2cccc(OC)c2O3)cc1 ZINC000045994628 554317561 /nfs/dbraw/zinc/31/75/61/554317561.db2.gz VXTCNXNOFSREDG-UHFFFAOYSA-N 0 0 527.577 4.776 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccc(C)c(C)c2)Cc2cccc(OC)c2O3)c1 ZINC000045994630 554317582 /nfs/dbraw/zinc/31/75/82/554317582.db2.gz QSEPDEZMOOVJOI-UHFFFAOYSA-N 0 0 527.577 4.776 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccc(C)c(C)c2)Cc2cccc(OC)c2O3)c(OC)c1 ZINC000045994636 554317598 /nfs/dbraw/zinc/31/75/98/554317598.db2.gz BPGZQRKEENBIGB-UHFFFAOYSA-N 0 0 515.566 4.617 50 0 KJAARN COc1ccc(OC)c(NC(=O)Cn2c3c(c(=O)n2-c2ccc(C)c(C)c2)Cc2cccc(OC)c2O3)c1 ZINC000045994637 554317556 /nfs/dbraw/zinc/31/75/56/554317556.db2.gz VSPNILYWBODCGG-UHFFFAOYSA-N 0 0 515.566 4.617 50 0 KJAARN COc1cccc2c1Oc1c(c(=O)n(-c3ccc(C)c(C)c3)n1CC(=O)NCc1ccccc1Cl)C2 ZINC000045994654 554317565 /nfs/dbraw/zinc/31/75/65/554317565.db2.gz DJDBINGUUABTIX-UHFFFAOYSA-N 0 0 503.986 4.931 50 0 KJAARN CCOc1cccc2c1Oc1c(c(=O)n(-c3ccc(CC)cc3)n1CC(=O)Nc1ccc(C(=O)OC)cc1)C2 ZINC000045994667 554317595 /nfs/dbraw/zinc/31/75/95/554317595.db2.gz KOXPBUFCQFJPAX-UHFFFAOYSA-N 0 0 527.577 4.722 50 0 KJAARN CCOc1cccc2c1Oc1c(c(=O)n(-c3ccc(CC)cc3)n1CC(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000045994670 554317569 /nfs/dbraw/zinc/31/75/69/554317569.db2.gz XNXADLALKMURSA-UHFFFAOYSA-N 0 0 527.577 4.707 50 0 KJAARN CCOc1cccc2c1Oc1c(c(=O)n(-c3ccc(CC)cc3)n1CC(=O)Nc1ccc(OC)cc1OC)C2 ZINC000045994676 554317823 /nfs/dbraw/zinc/31/78/23/554317823.db2.gz KBNSVNAPXYZRIN-UHFFFAOYSA-N 0 0 529.593 4.953 50 0 KJAARN CCOc1cccc2c1Oc1c(c(=O)n(-c3ccc(CC)cc3)n1CC(=O)Nc1cc(OC)ccc1OC)C2 ZINC000045994677 554317819 /nfs/dbraw/zinc/31/78/19/554317819.db2.gz HOCLCCSEUKMLJL-UHFFFAOYSA-N 0 0 529.593 4.953 50 0 KJAARN CCOc1cccc2c1Oc1c(c(=O)n(-c3ccc(CC)cc3)n1CC(=O)Nc1ccc(OC)c(OC)c1)C2 ZINC000045994678 554317810 /nfs/dbraw/zinc/31/78/10/554317810.db2.gz JDVOGSVIKKRUKO-UHFFFAOYSA-N 0 0 529.593 4.953 50 0 KJAARN CCc1ccc(-n2c(=O)c3c(n2CC(=O)Nc2ccc4c(c2)OCCO4)Oc2ccc(Cl)cc2C3)cc1 ZINC000045994704 554317785 /nfs/dbraw/zinc/31/77/85/554317785.db2.gz DATIBAILTUIGCZ-UHFFFAOYSA-N 0 0 517.969 4.961 50 0 KJAARN CCc1ccc(-n2c(=O)c3c(n2CC(=O)NCc2ccc(OC)cc2)Oc2ccc(Cl)cc2C3)cc1 ZINC000045994718 554317795 /nfs/dbraw/zinc/31/77/95/554317795.db2.gz BGEVEEVBADHUHC-UHFFFAOYSA-N 0 0 503.986 4.876 50 0 KJAARN CCc1ccc(-n2c(=O)c3c(n2CC(=O)NCc2cccc(OC)c2)Oc2ccc(Cl)cc2C3)cc1 ZINC000045994720 554317783 /nfs/dbraw/zinc/31/77/83/554317783.db2.gz TYUASZBBDLOHBE-UHFFFAOYSA-N 0 0 503.986 4.876 50 0 KJAARN CCc1ccc(-n2c(=O)c3c(n2CC(=O)NCc2ccc4c(c2)OCO4)Oc2ccc(Cl)cc2C3)cc1 ZINC000045994721 554317772 /nfs/dbraw/zinc/31/77/72/554317772.db2.gz QYXPJXXYBQCBSH-UHFFFAOYSA-N 0 0 517.969 4.596 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccc(C)cc2C)Cc2cccc(OC)c2O3)cc1 ZINC000045994736 554317790 /nfs/dbraw/zinc/31/77/90/554317790.db2.gz VYLANIALDGVJPW-UHFFFAOYSA-N 0 0 527.577 4.776 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccc(C)cc2C)Cc2cccc(OC)c2O3)c(OC)c1 ZINC000045994743 554317770 /nfs/dbraw/zinc/31/77/70/554317770.db2.gz BUPIOEQXRFZCIF-UHFFFAOYSA-N 0 0 515.566 4.617 50 0 KJAARN COc1ccc(OC)c(NC(=O)Cn2c3c(c(=O)n2-c2ccc(C)cc2C)Cc2cccc(OC)c2O3)c1 ZINC000045994744 554318036 /nfs/dbraw/zinc/31/80/36/554318036.db2.gz KWZNJQGIHPPVLZ-UHFFFAOYSA-N 0 0 515.566 4.617 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccc(C)cc2C)Cc2cccc(OC)c2O3)cc1OC ZINC000045994745 554318014 /nfs/dbraw/zinc/31/80/14/554318014.db2.gz FCOFUDLNNALYNK-UHFFFAOYSA-N 0 0 515.566 4.617 50 0 KJAARN COc1cccc2c1Oc1c(c(=O)n(-c3ccc(C)cc3C)n1CC(=O)NCc1ccccc1Cl)C2 ZINC000045994762 554318031 /nfs/dbraw/zinc/31/80/31/554318031.db2.gz PNCJZOFFDMJKHN-UHFFFAOYSA-N 0 0 503.986 4.931 50 0 KJAARN CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)c(Cl)c3)c3nc(C)ccc3c2=O)cc1 ZINC000045994960 554317990 /nfs/dbraw/zinc/31/79/90/554317990.db2.gz CQTJTIKEMMMVHD-UHFFFAOYSA-N 0 0 510.015 4.701 50 0 KJAARN CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccc(Cl)c3C)c3nc(C)ccc3c2=O)cc1 ZINC000045994963 554318011 /nfs/dbraw/zinc/31/80/11/554318011.db2.gz IBQZLNFAWXUKRJ-UHFFFAOYSA-N 0 0 510.015 4.701 50 0 KJAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3nc(C)ccc3c2=O)c(C)c1 ZINC000045994971 554317979 /nfs/dbraw/zinc/31/79/79/554317979.db2.gz WJEDGPJTNBQAJQ-UHFFFAOYSA-N 0 0 503.624 4.917 50 0 KJAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccc(Cl)c3C)c3nc(C)ccc3c2=O)c(C)c1 ZINC000045994981 554318023 /nfs/dbraw/zinc/31/80/23/554318023.db2.gz OSOTVVORFXPYME-UHFFFAOYSA-N 0 0 510.015 4.755 50 0 KJAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(F)c(Cl)c3)c3nc(C)ccc3c2=O)c(C)c1 ZINC000045994983 554318038 /nfs/dbraw/zinc/31/80/38/554318038.db2.gz GIUPKWUVQQRJMO-UHFFFAOYSA-N 0 0 513.978 4.586 50 0 KJAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3ccc(C(C)C)cc3)c2n1 ZINC000045995012 554318046 /nfs/dbraw/zinc/31/80/46/554318046.db2.gz LRNLNWFFHHGIHE-UHFFFAOYSA-N 0 0 503.624 4.917 50 0 KJAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3ccc(C)c(Cl)c3)c2n1 ZINC000045995038 554318199 /nfs/dbraw/zinc/31/81/99/554318199.db2.gz WINCYKOYTGCIMC-UHFFFAOYSA-N 0 0 510.015 4.755 50 0 KJAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3cccc(Cl)c3C)c2n1 ZINC000045995040 554318246 /nfs/dbraw/zinc/31/82/46/554318246.db2.gz DXDMMCLTBKQKNP-UHFFFAOYSA-N 0 0 510.015 4.755 50 0 KJAARN CSc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3ccc(C)nc32)c1 ZINC000045995048 554318255 /nfs/dbraw/zinc/31/82/55/554318255.db2.gz HZNVWIPKCJKFQJ-UHFFFAOYSA-N 0 0 507.637 4.515 50 0 KJAARN Cc1cc(C)cc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c3ccc(C)nc32)c1 ZINC000045995059 554318177 /nfs/dbraw/zinc/31/81/77/554318177.db2.gz OTTKDFIOHKCOIM-UHFFFAOYSA-N 0 0 503.624 4.917 50 0 KJAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C(C)C)cc3)cn(CC(=O)Nc3c(C)cccc3C)c2n1 ZINC000045995061 554318150 /nfs/dbraw/zinc/31/81/50/554318150.db2.gz AXBLIZFSTYDFCH-UHFFFAOYSA-N 0 0 503.624 4.917 50 0 KJAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C(C)C)cc3)cn(CC(=O)NCc3ccc(Cl)cc3)c2n1 ZINC000045995067 554318125 /nfs/dbraw/zinc/31/81/25/554318125.db2.gz KOYVRPMTOXXYBO-UHFFFAOYSA-N 0 0 524.042 4.631 50 0 KJAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C(C)C)cc3)cn(CC(=O)NCc3ccccc3Cl)c2n1 ZINC000045995069 554318224 /nfs/dbraw/zinc/31/82/24/554318224.db2.gz PTHBLGVICZQBJZ-UHFFFAOYSA-N 0 0 524.042 4.631 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)CC1 ZINC000046005334 554318524 /nfs/dbraw/zinc/31/85/24/554318524.db2.gz IGIMUPYWXWUSHP-UHFFFAOYSA-N 0 0 509.635 4.999 50 0 KJAARN COc1cc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc(OC)c1OC ZINC000046046860 554319888 /nfs/dbraw/zinc/31/98/88/554319888.db2.gz GPEIBWXGRJRACE-UHFFFAOYSA-N 0 0 509.994 4.911 50 0 KJAARN COc1cc(OC)c(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1Cl ZINC000046053693 554319848 /nfs/dbraw/zinc/31/98/48/554319848.db2.gz XOWUYMXTVRDQBT-UHFFFAOYSA-N 0 0 505.958 4.554 50 0 KJAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Br)cc3F)c3nc(C)ccc3c2=O)cc1 ZINC000046053696 554319826 /nfs/dbraw/zinc/31/98/26/554319826.db2.gz OFWLWIPJEORZKU-UHFFFAOYSA-N 0 0 508.347 4.785 50 0 KJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(Br)cc3)c(=O)c3ccc(C)nc32)c(C)c1 ZINC000046053706 554319860 /nfs/dbraw/zinc/31/98/60/554319860.db2.gz OMYLXWKKZFNEEJ-UHFFFAOYSA-N 0 0 504.384 4.954 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)n1 ZINC000046085656 554320048 /nfs/dbraw/zinc/32/00/48/554320048.db2.gz GKOHVKNJXFTTHG-IBGZPJMESA-N 0 0 517.424 4.860 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)n1 ZINC000046085657 554320079 /nfs/dbraw/zinc/32/00/79/554320079.db2.gz GKOHVKNJXFTTHG-LJQANCHMSA-N 0 0 517.424 4.860 50 0 KJAARN CCOCCCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(OC)c(OC)c3)on1)CCCC2 ZINC000046086000 554320051 /nfs/dbraw/zinc/32/00/51/554320051.db2.gz ICZJOJHFTMEBPB-UHFFFAOYSA-N 0 0 513.616 4.708 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C)cc2C)n1 ZINC000046086475 554320329 /nfs/dbraw/zinc/32/03/29/554320329.db2.gz RQFQCQXLHGWCIP-KRWDZBQOSA-N 0 0 511.511 4.848 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(C)cc2C)n1 ZINC000046086477 554320389 /nfs/dbraw/zinc/32/03/89/554320389.db2.gz RQFQCQXLHGWCIP-QGZVFWFLSA-N 0 0 511.511 4.848 50 0 KJAARN COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)NCc3cccnc3)CCCC4)no2)cc1OC ZINC000046086520 554320400 /nfs/dbraw/zinc/32/04/00/554320400.db2.gz XCEUICWNQUXNSL-UHFFFAOYSA-N 0 0 518.595 4.876 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)cc2)c2ccccc2O1 ZINC000046086618 554320398 /nfs/dbraw/zinc/32/03/98/554320398.db2.gz DVLDMVFWINRIPK-OAHLLOKOSA-N 0 0 510.955 4.675 50 0 KJAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)cc2)c2ccccc2O1 ZINC000046086619 554320416 /nfs/dbraw/zinc/32/04/16/554320416.db2.gz DVLDMVFWINRIPK-HNNXBMFYSA-N 0 0 510.955 4.675 50 0 KJAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)Oc5ccccc54)cc3)cc(=O)c2c1 ZINC000046086688 554320419 /nfs/dbraw/zinc/32/04/19/554320419.db2.gz IXADSHZFKHGGOU-KRWDZBQOSA-N 0 0 504.564 4.584 50 0 KJAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)Oc5ccccc54)cc3)cc(=O)c2c1 ZINC000046086690 554320345 /nfs/dbraw/zinc/32/03/45/554320345.db2.gz IXADSHZFKHGGOU-QGZVFWFLSA-N 0 0 504.564 4.584 50 0 KJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)Oc5ccccc54)cc3)no2)cc1 ZINC000046086839 554320407 /nfs/dbraw/zinc/32/04/07/554320407.db2.gz XTTGGPMTVZXHNW-QGZVFWFLSA-N 0 0 505.552 4.579 50 0 KJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)Oc5ccccc54)cc3)no2)cc1 ZINC000046086841 554320320 /nfs/dbraw/zinc/32/03/20/554320320.db2.gz XTTGGPMTVZXHNW-KRWDZBQOSA-N 0 0 505.552 4.579 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)NCCCC(=O)Nc2ccc(Br)cc2)n1 ZINC000046086851 554320341 /nfs/dbraw/zinc/32/03/41/554320341.db2.gz IDQPKJXYWDEFBR-UHFFFAOYSA-N 0 0 516.259 4.652 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(CC)cc2)n1 ZINC000046086967 554320552 /nfs/dbraw/zinc/32/05/52/554320552.db2.gz WFRAKEGUPPXXOL-KRWDZBQOSA-N 0 0 511.511 4.794 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(CC)cc2)n1 ZINC000046086969 554320584 /nfs/dbraw/zinc/32/05/84/554320584.db2.gz WFRAKEGUPPXXOL-QGZVFWFLSA-N 0 0 511.511 4.794 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000046087000 554320649 /nfs/dbraw/zinc/32/06/49/554320649.db2.gz XUDKTWOYOKKOOF-HNNXBMFYSA-N 0 0 517.902 4.885 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000046087001 554320570 /nfs/dbraw/zinc/32/05/70/554320570.db2.gz XUDKTWOYOKKOOF-OAHLLOKOSA-N 0 0 517.902 4.885 50 0 KJAARN CCn1c2cc(NC(=O)c3cccc(Cl)c3)c(S(=O)(=O)c3ccc(OC)cc3)cc2n(CC)c1=O ZINC000046141096 554320876 /nfs/dbraw/zinc/32/08/76/554320876.db2.gz UKWDEJXCBXIZCB-UHFFFAOYSA-N 0 0 514.003 4.590 50 0 KJAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)COc3ccccc3F)CC2)cc1 ZINC000046853897 554320887 /nfs/dbraw/zinc/32/08/87/554320887.db2.gz IOIASFGMDFYSRF-UHFFFAOYSA-N 0 0 537.595 4.963 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cc(C)cc(C)c2)CC1 ZINC000046914479 554321143 /nfs/dbraw/zinc/32/11/43/554321143.db2.gz LXPNCKNWLBXSJQ-UHFFFAOYSA-N 0 0 512.614 4.564 50 0 KJAARN COc1cc(OC)c(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(C)cc4)no3)c2N)cc1Cl ZINC000046914508 554321072 /nfs/dbraw/zinc/32/10/72/554321072.db2.gz DTEFGXYNIDDKAE-UHFFFAOYSA-N 0 0 514.995 4.522 50 0 KJAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4cc(C)c(Cl)cc4OC)nc3SC)n2)cc1 ZINC000046914557 554321169 /nfs/dbraw/zinc/32/11/69/554321169.db2.gz XWNHETBKYYXSDZ-UHFFFAOYSA-N 0 0 514.995 4.522 50 0 KJAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4ccc(C(C)C)cc4)nc3SC)n2)cc1OC ZINC000046914784 554321147 /nfs/dbraw/zinc/32/11/47/554321147.db2.gz PIDYKURXAOHEEJ-UHFFFAOYSA-N 0 0 508.604 4.684 50 0 KJAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4cc(Cl)ccc4C)nc3SC)n2)cc1OC ZINC000046914801 554321114 /nfs/dbraw/zinc/32/11/14/554321114.db2.gz SZAFXUOKBLLTJN-UHFFFAOYSA-N 0 0 514.995 4.522 50 0 KJAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4ccc(C)c(Cl)c4)nc3SC)n2)cc1OC ZINC000046914840 554321104 /nfs/dbraw/zinc/32/11/04/554321104.db2.gz YPBIIMWJHWYSRO-UHFFFAOYSA-N 0 0 514.995 4.522 50 0 KJAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4ccc(C)cc4Cl)nc3SC)n2)cc1OC ZINC000046914844 554321553 /nfs/dbraw/zinc/32/15/53/554321553.db2.gz MLMFEXOKJJRSIL-UHFFFAOYSA-N 0 0 514.995 4.522 50 0 KJAARN COc1ccc(CCNc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)nc3ccccc32)cc1OC ZINC000047145224 554321450 /nfs/dbraw/zinc/32/14/50/554321450.db2.gz MBHBWPHAZKNDOI-UHFFFAOYSA-N 0 0 543.693 4.743 50 0 KJAARN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1 ZINC000048325334 554321739 /nfs/dbraw/zinc/32/17/39/554321739.db2.gz DLIHQPXNODIXDP-UHFFFAOYSA-N 0 0 511.003 4.928 50 0 KJAARN CCOC(=O)c1oc2ccc(Br)cc2c1CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O ZINC000048325335 554321732 /nfs/dbraw/zinc/32/17/32/554321732.db2.gz IGSCBMGYOKVJCI-QHCPKHFHSA-N 0 0 503.324 4.868 50 0 KJAARN CCOC(=O)c1oc2ccc(Br)cc2c1CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O ZINC000048325336 554321717 /nfs/dbraw/zinc/32/17/17/554321717.db2.gz IGSCBMGYOKVJCI-HSZRJFAPSA-N 0 0 503.324 4.868 50 0 KJAARN COC(=O)c1ccc2c(c1)nc(SCc1nc(-c3ccsc3)no1)n(CCc1ccccc1)c2=O ZINC000048325347 554321865 /nfs/dbraw/zinc/32/18/65/554321865.db2.gz XRDKGDULWQWJAU-UHFFFAOYSA-N 0 0 504.593 4.830 50 0 KJAARN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)n(CC(C)C)c2=O ZINC000048325431 554321835 /nfs/dbraw/zinc/32/18/35/554321835.db2.gz COSQCGAYUQRIMF-AWEZNQCLSA-N 0 0 507.534 4.977 50 0 KJAARN COC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)Nc1ccccc1C(F)(F)F)n(CC(C)C)c2=O ZINC000048325432 554321728 /nfs/dbraw/zinc/32/17/28/554321728.db2.gz COSQCGAYUQRIMF-CQSZACIVSA-N 0 0 507.534 4.977 50 0 KJAARN Cc1ccccc1-n1c(=O)c2sccc2n(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1=O ZINC000048987009 554322857 /nfs/dbraw/zinc/32/28/57/554322857.db2.gz JJDCPCULZDPFEP-UHFFFAOYSA-N 0 0 500.458 4.519 50 0 KJAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)Nc1c(C)cccc1Cl ZINC000049004125 554322912 /nfs/dbraw/zinc/32/29/12/554322912.db2.gz FTKLWJQQGROZCI-UHFFFAOYSA-N 0 0 501.033 4.630 50 0 KJAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2=O)cc1 ZINC000049421558 554323097 /nfs/dbraw/zinc/32/30/97/554323097.db2.gz KQIHMZKKTBVQHY-UHFFFAOYSA-N 0 0 512.937 4.917 50 0 KJAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(Br)c(C)c3)c2=O)cc1C ZINC000049421564 554323103 /nfs/dbraw/zinc/32/31/03/554323103.db2.gz YKCKRDOXZCTASP-UHFFFAOYSA-N 0 0 517.445 4.624 50 0 KJAARN COc1ccc(CCC(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccc(OC)c(OC)c4)c3)cc2)cc1 ZINC000049421794 554323380 /nfs/dbraw/zinc/32/33/80/554323380.db2.gz LOTSXABESBHYDK-UHFFFAOYSA-N 0 0 514.582 4.781 50 0 KJAARN CCOc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccc(OC)cc4OC)cc3)cn2)cc1 ZINC000049421944 554323394 /nfs/dbraw/zinc/32/33/94/554323394.db2.gz MQUIRZSRRPIQSC-UHFFFAOYSA-N 0 0 500.555 4.852 50 0 KJAARN CCOc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3)cn2)cc1 ZINC000049421945 554323353 /nfs/dbraw/zinc/32/33/53/554323353.db2.gz NWEXRDAPQWYHID-UHFFFAOYSA-N 0 0 500.555 4.852 50 0 KJAARN CCOc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)Cc4ccc(OC)c(OC)c4)cc3)cn2)cc1 ZINC000049421946 554323424 /nfs/dbraw/zinc/32/34/24/554323424.db2.gz YUUZBSTYMMHKCX-UHFFFAOYSA-N 0 0 514.582 4.781 50 0 KJAARN COc1ccc(CC(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccc(F)c(F)c4)c3)cc2)cc1OC ZINC000049422126 554323430 /nfs/dbraw/zinc/32/34/30/554323430.db2.gz ADELKQJODYKMMJ-UHFFFAOYSA-N 0 0 506.509 4.660 50 0 KJAARN COc1ccc(C)cc1NC(=O)c1cn(Cc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2)cn1 ZINC000049422142 554323361 /nfs/dbraw/zinc/32/33/61/554323361.db2.gz TWXJZFMQEIWHLG-UHFFFAOYSA-N 0 0 514.582 4.699 50 0 KJAARN COc1ccc(CC(=O)Nc2ccc(Cn3cnc(C(=O)NCc4ccc(Cl)cc4)c3)cc2)cc1OC ZINC000049422268 554323386 /nfs/dbraw/zinc/32/33/86/554323386.db2.gz SOIYZCRURTYWDF-UHFFFAOYSA-N 0 0 519.001 4.713 50 0 KJAARN CCOc1ccc(-c2nc(CSCC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1 ZINC000049538609 554323373 /nfs/dbraw/zinc/32/33/73/554323373.db2.gz KQAZVKVQOPNDCT-UHFFFAOYSA-N 0 0 529.106 4.874 50 0 KJAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000049588258 554323606 /nfs/dbraw/zinc/32/36/06/554323606.db2.gz NURNDOWJCSUXHT-HVCNVCAESA-N 0 0 525.671 4.868 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000049722671 554324718 /nfs/dbraw/zinc/32/47/18/554324718.db2.gz NZDYFXRQPULNFE-UHFFFAOYSA-N 0 0 571.677 4.517 50 0 KJAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000049741682 554324903 /nfs/dbraw/zinc/32/49/03/554324903.db2.gz ZIADLZDJVMGHTJ-LJUDXYAASA-N 0 0 504.011 4.725 50 0 KJAARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000049741685 554324872 /nfs/dbraw/zinc/32/48/72/554324872.db2.gz IHVPQZANIGQIKG-LJUDXYAASA-N 0 0 504.011 4.725 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cccs3)n1-c1ccccc1OC)CCC2 ZINC000049744776 554324808 /nfs/dbraw/zinc/32/48/08/554324808.db2.gz YBDIEKXARREZCG-UHFFFAOYSA-N 0 0 597.744 4.725 50 0 KJAARN CC[C@H](Sc1nc2ccccc2n1C(C)=O)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1 ZINC000049771364 554325714 /nfs/dbraw/zinc/32/57/14/554325714.db2.gz PQWQYZWRUFZNAV-IBGZPJMESA-N 0 0 530.473 4.953 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2n1C(C)=O)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1 ZINC000049771365 554325585 /nfs/dbraw/zinc/32/55/85/554325585.db2.gz PQWQYZWRUFZNAV-LJQANCHMSA-N 0 0 530.473 4.953 50 0 KJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COC(=O)Cn1c3ccccc3nc1C(F)(F)F)CC2 ZINC000050861114 554327864 /nfs/dbraw/zinc/32/78/64/554327864.db2.gz SFPDZKFLLBKGDR-MHZLTWQESA-N 0 0 553.537 4.790 50 0 KJAARN COc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)ccc1OCC(=O)N1CCOCC1 ZINC000050861121 554327775 /nfs/dbraw/zinc/32/77/75/554327775.db2.gz IJZLSKDORTWDFU-UHFFFAOYSA-N 0 0 546.649 4.669 50 0 KJAARN COc1cc(C(=O)Sc2nc3ccccc3n2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000050862027 554328319 /nfs/dbraw/zinc/32/83/19/554328319.db2.gz ZPIMTFYRQISDFF-UHFFFAOYSA-N 0 0 538.578 4.709 50 0 KJAARN COC(=O)c1ccccc1NC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000050862517 554328634 /nfs/dbraw/zinc/32/86/34/554328634.db2.gz MCZMZCKKHBJCDS-UHFFFAOYSA-N 0 0 523.998 4.799 50 0 KJAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2c4ccc(F)cc4CC[C@@H]2C)cn3C2CC2)CC1 ZINC000051364355 554329424 /nfs/dbraw/zinc/32/94/24/554329424.db2.gz APMUMRLTAHNMRK-SFHVURJKSA-N 0 0 506.597 4.738 50 0 KJAARN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2c4ccc(F)cc4CC[C@H]2C)cn3C2CC2)CC1 ZINC000051364356 554329288 /nfs/dbraw/zinc/32/92/88/554329288.db2.gz APMUMRLTAHNMRK-GOSISDBHSA-N 0 0 506.597 4.738 50 0 KJAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Br)cc4)n21)CCN(C)C3 ZINC000053276035 554330587 /nfs/dbraw/zinc/33/05/87/554330587.db2.gz UPBULUPOZPQOGP-UHFFFAOYSA-N 0 0 520.503 4.786 50 0 KJAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000053290980 554331550 /nfs/dbraw/zinc/33/15/50/554331550.db2.gz BJXZVFDIRPACHX-UHFFFAOYSA-N 0 0 533.679 4.888 50 0 KJAARN COc1cccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)c1 ZINC000053306961 554334686 /nfs/dbraw/zinc/33/46/86/554334686.db2.gz ZTQANCHHWZOEPZ-UHFFFAOYSA-N 0 0 551.694 4.667 50 0 KJAARN COC(=O)c1ccc(CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)o1 ZINC000053307135 554334809 /nfs/dbraw/zinc/33/48/09/554334809.db2.gz LQWILMUIFKLUCP-UHFFFAOYSA-N 0 0 526.640 4.599 50 0 KJAARN COc1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)cc1 ZINC000053307194 554334739 /nfs/dbraw/zinc/33/47/39/554334739.db2.gz KNXLXVDXEKFQRD-UHFFFAOYSA-N 0 0 551.694 4.667 50 0 KJAARN CCN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccsc21 ZINC000053313420 554335891 /nfs/dbraw/zinc/33/58/91/554335891.db2.gz XEMYHQOJDJQOPH-UHFFFAOYSA-N 0 0 528.457 4.961 50 0 KJAARN COc1ccccc1CNc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccsc21 ZINC000053313917 554335825 /nfs/dbraw/zinc/33/58/25/554335825.db2.gz PPLYSSMJRLIGQR-UHFFFAOYSA-N 0 0 530.429 4.555 50 0 KJAARN O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc(Cl)c1)N2 ZINC000053334826 554340228 /nfs/dbraw/zinc/34/02/28/554340228.db2.gz XGKSDNOXWOJMDT-UHFFFAOYSA-N 0 0 516.829 4.625 50 0 KJAARN COc1ccccc1NC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000053335992 554341524 /nfs/dbraw/zinc/34/15/24/554341524.db2.gz KWVUBQKJVQAUTJ-UHFFFAOYSA-N 0 0 551.694 4.667 50 0 KJAARN Cc1c(NC(=O)[C@@H](C)OC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c(=O)n(-c2ccccc2)n1C ZINC000053356059 554344620 /nfs/dbraw/zinc/34/46/20/554344620.db2.gz NPFGQXYAJANHDJ-MRXNPFEDSA-N 0 0 543.407 4.597 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)N1CCC2(CC1)OCCO2 ZINC000053371606 554347671 /nfs/dbraw/zinc/34/76/71/554347671.db2.gz NOMJVVCZBUMTBC-QNGWXLTQSA-N 0 0 537.037 4.646 50 0 biogenic KJAARN O=C(c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)N1CCC2(CC1)OCCO2 ZINC000053371610 554347580 /nfs/dbraw/zinc/34/75/80/554347580.db2.gz NOMJVVCZBUMTBC-DIPNUNPCSA-N 0 0 537.037 4.646 50 0 biogenic KJAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000053371682 554347893 /nfs/dbraw/zinc/34/78/93/554347893.db2.gz RBZJBFZAZAPQRI-FAIXQHPJSA-N 0 0 574.058 4.858 50 0 KJAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000053371687 554347919 /nfs/dbraw/zinc/34/79/19/554347919.db2.gz RBZJBFZAZAPQRI-RRHRGVEJSA-N 0 0 574.058 4.858 50 0 KJAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)cc12 ZINC000053391779 554348777 /nfs/dbraw/zinc/34/87/77/554348777.db2.gz CSVOGMJAGWYGSD-UHFFFAOYSA-N 0 0 538.073 4.753 50 0 KJAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)N(Cc3cc(F)ccc3F)C2)cc1 ZINC000055041998 554349941 /nfs/dbraw/zinc/34/99/41/554349941.db2.gz AGQJPDZNTPJJAZ-NOZRDPDXSA-N 0 0 508.594 4.673 50 0 KJAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CN1Cc1ccccc1OC ZINC000055042261 1067163178 /nfs/dbraw/zinc/16/31/78/1067163178.db2.gz JUHNEQYRLIQWIN-QPPBQGQZSA-N 0 0 512.528 4.927 50 0 KJAARN COc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1OC[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000055053132 1067163410 /nfs/dbraw/zinc/16/34/10/1067163410.db2.gz UXTCYRNTQQOLKI-XMMPIXPASA-N 0 0 535.088 4.997 50 0 KJAARN COc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1OC[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000055053137 1067163199 /nfs/dbraw/zinc/16/31/99/1067163199.db2.gz UXTCYRNTQQOLKI-DEOSSOPVSA-N 0 0 535.088 4.997 50 0 KJAARN COCc1c(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000055107607 554350236 /nfs/dbraw/zinc/35/02/36/554350236.db2.gz DLWZCCCWFDQGJP-GDLZYMKVSA-N 0 0 535.688 4.820 50 0 KJAARN COCc1c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000055107609 554350156 /nfs/dbraw/zinc/35/01/56/554350156.db2.gz DLWZCCCWFDQGJP-LJAQVGFWSA-N 0 0 535.688 4.820 50 0 KJAARN O=C(COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1)NCc1ccccc1Cl ZINC000055107757 554350363 /nfs/dbraw/zinc/35/03/63/554350363.db2.gz GHBKPERRMSVMOD-UHFFFAOYSA-N 0 0 528.056 4.814 50 0 KJAARN O=S(=O)(NCCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1)c1ccccc1F ZINC000055118849 554350269 /nfs/dbraw/zinc/35/02/69/554350269.db2.gz BBWMAKGPUKHRTG-UHFFFAOYSA-N 0 0 518.054 4.549 50 0 KJAARN C[C@@H](c1ccco1)N(C)C(=O)COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1 ZINC000055119017 1067163405 /nfs/dbraw/zinc/16/34/05/1067163405.db2.gz WYOQOXRXNHSXRZ-QHCPKHFHSA-N 0 0 511.626 4.657 50 0 KJAARN C[C@H](c1ccco1)N(C)C(=O)COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1 ZINC000055119020 1067163224 /nfs/dbraw/zinc/16/32/24/1067163224.db2.gz WYOQOXRXNHSXRZ-HSZRJFAPSA-N 0 0 511.626 4.657 50 0 KJAARN COc1cccc(CN2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)c1 ZINC000055133917 554350407 /nfs/dbraw/zinc/35/04/07/554350407.db2.gz PKRSAHABXPHTEF-UHFFFAOYSA-N 0 0 509.528 4.832 50 0 KJAARN O=C(NCCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000055168931 554350323 /nfs/dbraw/zinc/35/03/23/554350323.db2.gz MXGNKXCTMUJGIF-UHFFFAOYSA-N 0 0 508.018 4.590 50 0 KJAARN O=C(COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000055183109 554350222 /nfs/dbraw/zinc/35/02/22/554350222.db2.gz UFJWDXWHCNMBGH-UHFFFAOYSA-N 0 0 515.564 4.762 50 0 KJAARN O=C1c2cccc(N3CCN(Cc4c[nH]nc4-c4ccc(Cl)cc4)CC3)c2C(=O)N1Cc1ccsc1 ZINC000055211652 554350662 /nfs/dbraw/zinc/35/06/62/554350662.db2.gz ZVHQGPVHNZWIPE-UHFFFAOYSA-N 0 0 518.042 4.910 50 0 KJAARN COc1ccccc1CN1CCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)CC1 ZINC000055228600 554350765 /nfs/dbraw/zinc/35/07/65/554350765.db2.gz SPQVJSJCDBZIRN-UHFFFAOYSA-N 0 0 509.528 4.832 50 0 KJAARN CC1(C)C[C@H](C(=O)NCCCOc2ccc(CN3CCN(c4ccccc4Cl)CC3)cc2)CCO1 ZINC000055243995 554350712 /nfs/dbraw/zinc/35/07/12/554350712.db2.gz ZSZFCEUQTSVGSO-HSZRJFAPSA-N 0 0 500.083 4.753 50 0 KJAARN CC1(C)C[C@@H](C(=O)NCCCOc2ccc(CN3CCN(c4ccccc4Cl)CC3)cc2)CCO1 ZINC000055244003 554350561 /nfs/dbraw/zinc/35/05/61/554350561.db2.gz ZSZFCEUQTSVGSO-QHCPKHFHSA-N 0 0 500.083 4.753 50 0 KJAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CN1Cc1cccc(O)c1 ZINC000055340955 1067163105 /nfs/dbraw/zinc/16/31/05/1067163105.db2.gz IURRHJGLEQMMFS-YKSBVNFPSA-N 0 0 503.986 4.740 50 0 KJAARN Cn1c2nc(CN(Cc3ccccc3)Cc3ccccc3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000057010895 554351651 /nfs/dbraw/zinc/35/16/51/554351651.db2.gz OWQZRRJFITUPSS-UHFFFAOYSA-N 0 0 529.644 4.838 50 0 KJAARN COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000057015848 554351941 /nfs/dbraw/zinc/35/19/41/554351941.db2.gz JLAOUYFCAUSKLG-BVZFJXPGSA-N 0 0 513.635 4.595 50 0 KJAARN COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000057015849 554352076 /nfs/dbraw/zinc/35/20/76/554352076.db2.gz JLAOUYFCAUSKLG-CJAUYULYSA-N 0 0 513.635 4.595 50 0 KJAARN COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000057015851 554352068 /nfs/dbraw/zinc/35/20/68/554352068.db2.gz JLAOUYFCAUSKLG-AVRWGWEMSA-N 0 0 513.635 4.595 50 0 KJAARN COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000057015853 554352127 /nfs/dbraw/zinc/35/21/27/554352127.db2.gz JLAOUYFCAUSKLG-IQGLISFBSA-N 0 0 513.635 4.595 50 0 KJAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058770 554352018 /nfs/dbraw/zinc/35/20/18/554352018.db2.gz RCPZVOQRYJDRTI-OAHLLOKOSA-N 0 0 506.500 4.652 50 0 KJAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058772 554352465 /nfs/dbraw/zinc/35/24/65/554352465.db2.gz RCPZVOQRYJDRTI-HNNXBMFYSA-N 0 0 506.500 4.652 50 0 KJAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058919 554352206 /nfs/dbraw/zinc/35/22/06/554352206.db2.gz VDSHNZDCXQFQTO-AWEZNQCLSA-N 0 0 508.928 4.776 50 0 KJAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058923 554352457 /nfs/dbraw/zinc/35/24/57/554352457.db2.gz VDSHNZDCXQFQTO-CQSZACIVSA-N 0 0 508.928 4.776 50 0 KJAARN CCc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000057099735 554352185 /nfs/dbraw/zinc/35/21/85/554352185.db2.gz IGYIBWZIXUAGJB-BAAZAXTHSA-N 0 0 512.009 4.917 50 0 KJAARN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000057105685 554352413 /nfs/dbraw/zinc/35/24/13/554352413.db2.gz IQWPBHJOZIAOBK-DARZMLDPSA-N 0 0 512.009 4.917 50 0 KJAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057121156 554352817 /nfs/dbraw/zinc/35/28/17/554352817.db2.gz PAKSGPAJHHDAHR-BYSIJJKSSA-N 0 0 515.972 4.802 50 0 KJAARN CC1(C)Cc2c(sc3nc(N4CCN(Cc5ccccc5)CC4)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000057156134 554352675 /nfs/dbraw/zinc/35/26/75/554352675.db2.gz YOAUWTZZVYGULW-UHFFFAOYSA-N 0 0 500.668 4.680 50 0 KJAARN O=C(NCc1ccccc1Cl)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000058482329 554364588 /nfs/dbraw/zinc/36/45/88/554364588.db2.gz NPVHTCYEWLCYMF-QPPBQGQZSA-N 0 0 647.153 4.627 50 0 KJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000058482332 554364451 /nfs/dbraw/zinc/36/44/51/554364451.db2.gz ZKQLNPCDRWEWRW-VWNXMTODSA-N 0 0 647.153 4.627 50 0 KJAARN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000059211791 554385397 /nfs/dbraw/zinc/38/53/97/554385397.db2.gz ZTZFKEMNSSYRNG-UHFFFAOYSA-N 0 0 530.046 4.665 50 0 KJAARN Cc1c(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000059211894 193891611 /nfs/dbraw/zinc/89/16/11/193891611.db2.gz AINLYUGVZWICSD-AEACUUAWSA-N 0 0 619.313 4.894 50 0 KJAARN Cc1c(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000059211895 193891509 /nfs/dbraw/zinc/89/15/09/193891509.db2.gz AINLYUGVZWICSD-RJAVSUSUSA-N 0 0 619.313 4.894 50 0 KJAARN Cc1c(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000059211896 554385359 /nfs/dbraw/zinc/38/53/59/554385359.db2.gz AINLYUGVZWICSD-JZLQPTSESA-N 0 0 619.313 4.894 50 0 KJAARN CCc1cccc(C)c1NC(=O)CN1CCN(c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1 ZINC000059346916 554392571 /nfs/dbraw/zinc/39/25/71/554392571.db2.gz CBZVZWJLEHQVBM-UHFFFAOYSA-N 0 0 522.657 4.990 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000059427887 554395214 /nfs/dbraw/zinc/39/52/14/554395214.db2.gz LRUVSSCAFLXAAQ-FHMSYZJOSA-N 0 0 524.642 4.686 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000059427889 554395557 /nfs/dbraw/zinc/39/55/57/554395557.db2.gz LRUVSSCAFLXAAQ-OXWVMCNISA-N 0 0 524.642 4.686 50 0 KJAARN O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000059499377 554399248 /nfs/dbraw/zinc/39/92/48/554399248.db2.gz SXEHQLJACQNSFT-UHFFFAOYSA-N 0 0 510.615 4.983 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccs3)c2)CC1 ZINC000059503723 554399806 /nfs/dbraw/zinc/39/98/06/554399806.db2.gz BIBFIGPYNIULAP-NOZRDPDXSA-N 0 0 609.752 4.757 50 0 KJAARN O=C(Nc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 ZINC000059503725 554399903 /nfs/dbraw/zinc/39/99/03/554399903.db2.gz HTXHJHQQCVYWRJ-BVAGGSTKSA-N 0 0 609.677 4.965 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(Cc3ccccc3)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059503746 554399840 /nfs/dbraw/zinc/39/98/40/554399840.db2.gz FDKLELVYTXYHDZ-FQLXRVMXSA-N 0 0 545.705 4.681 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(Cc3ccccc3)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059503747 554399809 /nfs/dbraw/zinc/39/98/09/554399809.db2.gz FDKLELVYTXYHDZ-WDYNHAJCSA-N 0 0 545.705 4.681 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(Cc3ccccc3)CC1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059503748 554399922 /nfs/dbraw/zinc/39/99/22/554399922.db2.gz FDKLELVYTXYHDZ-URLMMPGGSA-N 0 0 545.705 4.681 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(Cc3ccccc3)CC1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059503749 554399797 /nfs/dbraw/zinc/39/97/97/554399797.db2.gz FDKLELVYTXYHDZ-VMPREFPWSA-N 0 0 545.705 4.681 50 0 KJAARN CCOc1cc(Br)cc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c1OC(C)=O ZINC000059503773 554400213 /nfs/dbraw/zinc/40/02/13/554400213.db2.gz XWLWEYVLIQLSSI-JOCHJYFZSA-N 0 0 545.415 4.791 50 0 KJAARN CCOc1cc(Br)cc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c1OC(C)=O ZINC000059503774 554400219 /nfs/dbraw/zinc/40/02/19/554400219.db2.gz XWLWEYVLIQLSSI-QFIPXVFZSA-N 0 0 545.415 4.791 50 0 KJAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000059503787 554400141 /nfs/dbraw/zinc/40/01/41/554400141.db2.gz VAXANZMGJPBRLG-RUZDIDTESA-N 0 0 544.080 4.971 50 0 KJAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000059503788 554400172 /nfs/dbraw/zinc/40/01/72/554400172.db2.gz VAXANZMGJPBRLG-VWLOTQADSA-N 0 0 544.080 4.971 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000059503912 554400327 /nfs/dbraw/zinc/40/03/27/554400327.db2.gz CGFCTGKOVJSAEP-VSGBNLITSA-N 0 0 550.055 4.625 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000059503914 554400374 /nfs/dbraw/zinc/40/03/74/554400374.db2.gz CGFCTGKOVJSAEP-IZLXSDGUSA-N 0 0 550.055 4.625 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000059503916 554400317 /nfs/dbraw/zinc/40/03/17/554400317.db2.gz CGFCTGKOVJSAEP-WUFINQPMSA-N 0 0 550.055 4.625 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000059503918 554400293 /nfs/dbraw/zinc/40/02/93/554400293.db2.gz CGFCTGKOVJSAEP-NSOVKSMOSA-N 0 0 550.055 4.625 50 0 KJAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000059503967 554400510 /nfs/dbraw/zinc/40/05/10/554400510.db2.gz ZMXINMVPPFYJNN-UHFFFAOYSA-N 0 0 522.467 4.826 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1F ZINC000059513803 554401060 /nfs/dbraw/zinc/40/10/60/554401060.db2.gz UJCZYPJQVIPHGW-UHFFFAOYSA-N 0 0 532.037 4.868 50 0 KJAARN CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000059514072 554401287 /nfs/dbraw/zinc/40/12/87/554401287.db2.gz QOEURHBKKZDZPG-UHFFFAOYSA-N 0 0 510.034 4.645 50 0 KJAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c1)c1cc(Cl)ccc1O2 ZINC000059514345 554401240 /nfs/dbraw/zinc/40/12/40/554401240.db2.gz UJXQNLVPKAATFJ-AYWVHJORSA-N 0 0 561.038 4.796 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059514369 554401215 /nfs/dbraw/zinc/40/12/15/554401215.db2.gz KUPDZTTUVXINFO-LOYHVIPDSA-N 0 0 543.639 4.809 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059514372 554401280 /nfs/dbraw/zinc/40/12/80/554401280.db2.gz KUPDZTTUVXINFO-IHLOFXLRSA-N 0 0 543.639 4.809 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059514373 554401247 /nfs/dbraw/zinc/40/12/47/554401247.db2.gz KUPDZTTUVXINFO-XZWHSSHBSA-N 0 0 543.639 4.809 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059514375 554401199 /nfs/dbraw/zinc/40/11/99/554401199.db2.gz KUPDZTTUVXINFO-KYJUHHDHSA-N 0 0 543.639 4.809 50 0 KJAARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCc1ccc(Cl)cc1)OCO3)N1CCN(c2ccccc2)CC1 ZINC000059514462 554401273 /nfs/dbraw/zinc/40/12/73/554401273.db2.gz SNVXLDUPNYIXSV-UHFFFAOYSA-N 0 0 563.079 4.810 50 0 KJAARN CC(=O)c1cccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccnc3)c2)c1 ZINC000059515021 554402032 /nfs/dbraw/zinc/40/20/32/554402032.db2.gz KQRCZFKHSKHPJX-BWKNWUBXSA-N 0 0 547.615 4.574 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)c1sc2ncnc(N3CCN(c4ccccc4OC)CC3)c2c1C ZINC000059515026 554402018 /nfs/dbraw/zinc/40/20/18/554402018.db2.gz LBZIPXCFRQJZJN-UHFFFAOYSA-N 0 0 531.638 4.764 50 0 KJAARN Cc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C(C)C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1 ZINC000059515076 554402215 /nfs/dbraw/zinc/40/22/15/554402215.db2.gz IWFRHKMHHGLNCS-AXGKCNHXSA-N 0 0 541.692 4.857 50 0 biogenic KJAARN Cc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C(C)C)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)cc1 ZINC000059515077 554402266 /nfs/dbraw/zinc/40/22/66/554402266.db2.gz IWFRHKMHHGLNCS-BIRRFFDLSA-N 0 0 541.692 4.857 50 0 biogenic KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000059515099 554402204 /nfs/dbraw/zinc/40/22/04/554402204.db2.gz WXSXGKVNJBLYHR-LOYHVIPDSA-N 0 0 543.639 4.809 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000059515100 554402252 /nfs/dbraw/zinc/40/22/52/554402252.db2.gz WXSXGKVNJBLYHR-IHLOFXLRSA-N 0 0 543.639 4.809 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000059515101 554402292 /nfs/dbraw/zinc/40/22/92/554402292.db2.gz WXSXGKVNJBLYHR-XZWHSSHBSA-N 0 0 543.639 4.809 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N1CC2 ZINC000059515102 554402262 /nfs/dbraw/zinc/40/22/62/554402262.db2.gz WXSXGKVNJBLYHR-KYJUHHDHSA-N 0 0 543.639 4.809 50 0 KJAARN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000059515103 554402494 /nfs/dbraw/zinc/40/24/94/554402494.db2.gz SFDHNWJBIZVNSI-UHFFFAOYSA-N 0 0 536.009 4.549 50 0 KJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000059515106 554402514 /nfs/dbraw/zinc/40/25/14/554402514.db2.gz ANOZOWBHKSMJEE-GGAORHGYSA-N 0 0 607.107 4.995 50 0 KJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000059515120 554402483 /nfs/dbraw/zinc/40/24/83/554402483.db2.gz YRKZBBKPLXOJLJ-UHFFFAOYSA-N 0 0 601.607 4.864 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(Br)c(C)cc3C)CC2)cc1Br ZINC000059515164 554402846 /nfs/dbraw/zinc/40/28/46/554402846.db2.gz CORBNRYDJBCDMX-UHFFFAOYSA-N 0 0 594.391 4.531 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2sc(C)c(C)c2c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000059515174 554402762 /nfs/dbraw/zinc/40/27/62/554402762.db2.gz RZINAVOLWUICRA-UHFFFAOYSA-N 0 0 545.539 4.665 50 0 KJAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000059515183 554402792 /nfs/dbraw/zinc/40/27/92/554402792.db2.gz ITXKFTSAQZVCIK-UHFFFAOYSA-N 0 0 605.570 4.694 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000059515227 554403034 /nfs/dbraw/zinc/40/30/34/554403034.db2.gz IJVJSIALSDRYFS-MRXNPFEDSA-N 0 0 529.865 4.701 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000059515228 554403092 /nfs/dbraw/zinc/40/30/92/554403092.db2.gz IJVJSIALSDRYFS-INIZCTEOSA-N 0 0 529.865 4.701 50 0 KJAARN O=C(Nc1ccc(Br)cc1)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000059522328 554403316 /nfs/dbraw/zinc/40/33/16/554403316.db2.gz ZWJQZXXTUNQILB-KRWDZBQOSA-N 0 0 530.263 4.931 50 0 KJAARN O=C(Nc1ccc(Br)cc1)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000059522331 554403382 /nfs/dbraw/zinc/40/33/82/554403382.db2.gz ZWJQZXXTUNQILB-QGZVFWFLSA-N 0 0 530.263 4.931 50 0 KJAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 ZINC000059522592 554403727 /nfs/dbraw/zinc/40/37/27/554403727.db2.gz RTHNOHJOORCWDF-UHFFFAOYSA-N 0 0 535.452 4.519 50 0 KJAARN Cc1ccc(N2CCN(c3nc4c(S(=O)(=O)c5ccc(Br)cc5)nnn4c4ccccc43)CC2)c(C)c1 ZINC000059522909 554404050 /nfs/dbraw/zinc/40/40/50/554404050.db2.gz IPMSCPOBWMPVNV-UHFFFAOYSA-N 0 0 577.508 4.816 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4cc(Cl)ccc4C)CC2)c2ccccc23)cc1 ZINC000059522912 554403966 /nfs/dbraw/zinc/40/39/66/554403966.db2.gz IIKADFLKNYJEDG-UHFFFAOYSA-N 0 0 533.057 4.707 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4cccc(Cl)c4)CC2)c2ccccc23)cc1C ZINC000059522916 554403950 /nfs/dbraw/zinc/40/39/50/554403950.db2.gz BPCIDEZYMCDHTB-UHFFFAOYSA-N 0 0 533.057 4.707 50 0 KJAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)cc1 ZINC000059522974 554404392 /nfs/dbraw/zinc/40/43/92/554404392.db2.gz FKLINXSESNCHKP-UHFFFAOYSA-N 0 0 516.402 4.687 50 0 KJAARN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1 ZINC000059523225 554404537 /nfs/dbraw/zinc/40/45/37/554404537.db2.gz URCPKWWDDFCQLJ-FKBYEOEOSA-N 0 0 524.802 4.671 50 0 KJAARN Cc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000059523244 554404502 /nfs/dbraw/zinc/40/45/02/554404502.db2.gz RDVMCLNHUQCQHG-MRXNPFEDSA-N 0 0 536.498 4.957 50 0 KJAARN Cc1ccc2nc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000059523247 554404692 /nfs/dbraw/zinc/40/46/92/554404692.db2.gz RDVMCLNHUQCQHG-INIZCTEOSA-N 0 0 536.498 4.957 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059523261 554404646 /nfs/dbraw/zinc/40/46/46/554404646.db2.gz MCVLDHLHKAKPAL-FIRIVFDPSA-N 0 0 539.676 4.665 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059523263 554404595 /nfs/dbraw/zinc/40/45/95/554404595.db2.gz MCVLDHLHKAKPAL-JSOSNVBQSA-N 0 0 539.676 4.665 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059523265 554404552 /nfs/dbraw/zinc/40/45/52/554404552.db2.gz MCVLDHLHKAKPAL-IOWSJCHKSA-N 0 0 539.676 4.665 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059523267 554404680 /nfs/dbraw/zinc/40/46/80/554404680.db2.gz MCVLDHLHKAKPAL-CONSDPRKSA-N 0 0 539.676 4.665 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000059523312 554404569 /nfs/dbraw/zinc/40/45/69/554404569.db2.gz ROTJIDGLNAMQNF-SQHAQQRYSA-N 0 0 621.713 4.834 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000059523498 554404877 /nfs/dbraw/zinc/40/48/77/554404877.db2.gz QSCCRWXFBGTEGY-FIRIVFDPSA-N 0 0 548.643 4.933 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000059523501 554404849 /nfs/dbraw/zinc/40/48/49/554404849.db2.gz QSCCRWXFBGTEGY-JSOSNVBQSA-N 0 0 548.643 4.933 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000059523503 554404824 /nfs/dbraw/zinc/40/48/24/554404824.db2.gz QSCCRWXFBGTEGY-IOWSJCHKSA-N 0 0 548.643 4.933 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000059523505 554404832 /nfs/dbraw/zinc/40/48/32/554404832.db2.gz QSCCRWXFBGTEGY-CONSDPRKSA-N 0 0 548.643 4.933 50 0 KJAARN CCOc1ccc2nc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)sc2c1 ZINC000059523808 554405244 /nfs/dbraw/zinc/40/52/44/554405244.db2.gz WXXLTFJGUJETQW-GFCCVEGCSA-N 0 0 530.491 4.558 50 0 KJAARN CCOc1ccc2nc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)sc2c1 ZINC000059523810 554405247 /nfs/dbraw/zinc/40/52/47/554405247.db2.gz WXXLTFJGUJETQW-LBPRGKRZSA-N 0 0 530.491 4.558 50 0 KJAARN COc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000059523823 554405169 /nfs/dbraw/zinc/40/51/69/554405169.db2.gz PIGBYDCMAOVYRU-MRXNPFEDSA-N 0 0 552.497 4.657 50 0 KJAARN COc1ccc2nc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000059523828 554405219 /nfs/dbraw/zinc/40/52/19/554405219.db2.gz PIGBYDCMAOVYRU-INIZCTEOSA-N 0 0 552.497 4.657 50 0 KJAARN O=C(Nc1ccc(Br)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000059523844 554405375 /nfs/dbraw/zinc/40/53/75/554405375.db2.gz YJKIHDZKCKBQQN-INIZCTEOSA-N 0 0 544.290 4.801 50 0 KJAARN O=C(Nc1ccc(Br)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000059523846 554405319 /nfs/dbraw/zinc/40/53/19/554405319.db2.gz YJKIHDZKCKBQQN-MRXNPFEDSA-N 0 0 544.290 4.801 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000059524142 554405333 /nfs/dbraw/zinc/40/53/33/554405333.db2.gz HYJUHHBKBMBHSY-NAKRPHOHSA-N 0 0 633.749 4.704 50 0 KJAARN COc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)cc1 ZINC000059524289 554405323 /nfs/dbraw/zinc/40/53/23/554405323.db2.gz MBQHMVVPCWRRLS-UHFFFAOYSA-N 0 0 530.650 4.656 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000059524709 554405855 /nfs/dbraw/zinc/40/58/55/554405855.db2.gz CMNMQHJJOAUJOT-SKCUWOTOSA-N 0 0 548.592 4.615 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000059524711 554405866 /nfs/dbraw/zinc/40/58/66/554405866.db2.gz CMNMQHJJOAUJOT-DFHRPNOPSA-N 0 0 548.592 4.615 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000059524714 554405880 /nfs/dbraw/zinc/40/58/80/554405880.db2.gz CMNMQHJJOAUJOT-RBISFHTESA-N 0 0 548.592 4.615 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000059524715 554405893 /nfs/dbraw/zinc/40/58/93/554405893.db2.gz CMNMQHJJOAUJOT-DWACAAAGSA-N 0 0 548.592 4.615 50 0 KJAARN COc1ccc(-n2nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000059524997 554406213 /nfs/dbraw/zinc/40/62/13/554406213.db2.gz UEJJJUQJXPZZOQ-UHFFFAOYSA-N 0 0 528.012 4.502 50 0 KJAARN Cc1ccc(C(=O)O[C@H](COc2cccc3ccccc32)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000059565422 554407383 /nfs/dbraw/zinc/40/73/83/554407383.db2.gz PXHJXTDBTYOWFR-QHCPKHFHSA-N 0 0 514.603 4.834 50 0 KJAARN Cc1ccc(C(=O)O[C@@H](COc2cccc3ccccc32)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000059565427 554407405 /nfs/dbraw/zinc/40/74/05/554407405.db2.gz PXHJXTDBTYOWFR-HSZRJFAPSA-N 0 0 514.603 4.834 50 0 KJAARN CSc1nnc2c(n1)O[C@@H](c1cc3c(cc1Cl)OCO3)N(C(C)=O)c1ccc(Br)cc1-2 ZINC000059587161 554407738 /nfs/dbraw/zinc/40/77/38/554407738.db2.gz LQXFWORTDMJYSU-IBGZPJMESA-N 0 0 521.780 4.849 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000059587409 554407944 /nfs/dbraw/zinc/40/79/44/554407944.db2.gz ZIZMHYMJTUCAAK-UHFFFAOYSA-N 0 0 576.218 4.765 50 0 KJAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000059587864 554407954 /nfs/dbraw/zinc/40/79/54/554407954.db2.gz PVPXMIXSDQDNEF-JOCHJYFZSA-N 0 0 544.077 4.904 50 0 KJAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000059587870 554407931 /nfs/dbraw/zinc/40/79/31/554407931.db2.gz PVPXMIXSDQDNEF-QFIPXVFZSA-N 0 0 544.077 4.904 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)cc1 ZINC000059595557 554408000 /nfs/dbraw/zinc/40/80/00/554408000.db2.gz GKMJXJMOLLXMIN-OAQYLSRUSA-N 0 0 530.050 4.503 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)cc1 ZINC000059595560 554407941 /nfs/dbraw/zinc/40/79/41/554407941.db2.gz GKMJXJMOLLXMIN-NRFANRHFSA-N 0 0 530.050 4.503 50 0 KJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000059595636 554408249 /nfs/dbraw/zinc/40/82/49/554408249.db2.gz RKCDROMPYGLFEZ-UHFFFAOYSA-N 0 0 567.509 4.855 50 0 KJAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cc(Br)c(O)c(OC)c2)s1 ZINC000059602954 554409293 /nfs/dbraw/zinc/40/92/93/554409293.db2.gz JXORPHSEXIAFFJ-GOSISDBHSA-N 0 0 528.384 4.742 50 0 KJAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cc(Br)c(O)c(OC)c2)s1 ZINC000059602956 554409400 /nfs/dbraw/zinc/40/94/00/554409400.db2.gz JXORPHSEXIAFFJ-SFHVURJKSA-N 0 0 528.384 4.742 50 0 KJAARN O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 ZINC000059603025 554409327 /nfs/dbraw/zinc/40/93/27/554409327.db2.gz HLDWDVSOUPNIIN-UHFFFAOYSA-N 0 0 582.000 4.665 50 0 KJAARN COCCNC(=O)c1ccccc1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059603424 554409906 /nfs/dbraw/zinc/40/99/06/554409906.db2.gz SHROQUWWARTRLK-UHFFFAOYSA-N 0 0 543.645 4.711 50 0 KJAARN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000059603462 554409873 /nfs/dbraw/zinc/40/98/73/554409873.db2.gz MLSBOGLPWONFAA-UHFFFAOYSA-N 0 0 555.656 4.807 50 0 KJAARN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000059603636 554410231 /nfs/dbraw/zinc/41/02/31/554410231.db2.gz DOSSXOXSHYICBJ-XMMPIXPASA-N 0 0 555.148 4.910 50 0 KJAARN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000059603640 554410259 /nfs/dbraw/zinc/41/02/59/554410259.db2.gz DOSSXOXSHYICBJ-DEOSSOPVSA-N 0 0 555.148 4.910 50 0 KJAARN Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000059603661 554410263 /nfs/dbraw/zinc/41/02/63/554410263.db2.gz ZAISKQDZJMJTKZ-UHFFFAOYSA-N 0 0 574.732 4.597 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCC(=O)N3C3CCCC3)c2C(=O)Nc2ccc(OCC)cc2)C1 ZINC000059608033 554410515 /nfs/dbraw/zinc/41/05/15/554410515.db2.gz BUFJZDQTYXVFMZ-QFIPXVFZSA-N 0 0 568.696 4.786 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCC(=O)N3C3CCCC3)c2C(=O)Nc2ccc(OCC)cc2)C1 ZINC000059608036 554410359 /nfs/dbraw/zinc/41/03/59/554410359.db2.gz BUFJZDQTYXVFMZ-JOCHJYFZSA-N 0 0 568.696 4.786 50 0 KJAARN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccccc1 ZINC000059608153 554410815 /nfs/dbraw/zinc/41/08/15/554410815.db2.gz RRFDXLLFZNXSTF-UHFFFAOYSA-N 0 0 543.693 4.994 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000059608328 554410953 /nfs/dbraw/zinc/41/09/53/554410953.db2.gz CYXILNMPJNOQFQ-UHFFFAOYSA-N 0 0 531.556 4.997 50 0 KJAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000059608359 554410998 /nfs/dbraw/zinc/41/09/98/554410998.db2.gz JZOORLIHTRUAAP-UHFFFAOYSA-N 0 0 567.509 4.855 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OCC(=O)Nc3ccccc3OC)cc2Br)NC(=S)N1 ZINC000059608378 554411032 /nfs/dbraw/zinc/41/10/32/554411032.db2.gz ASRRCZQYDUGOTC-DEOSSOPVSA-N 0 0 592.512 4.620 50 0 KJAARN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)c(OCC(=O)Nc3ccccc3OC)cc2Br)NC(=S)N1 ZINC000059608382 554411026 /nfs/dbraw/zinc/41/10/26/554411026.db2.gz ASRRCZQYDUGOTC-XMMPIXPASA-N 0 0 592.512 4.620 50 0 KJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)cc1OC ZINC000059612445 554412768 /nfs/dbraw/zinc/41/27/68/554412768.db2.gz WLULFKMIXNOROO-UHFFFAOYSA-N 0 0 559.644 4.711 50 0 KJAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000059612586 554412765 /nfs/dbraw/zinc/41/27/65/554412765.db2.gz AETXHCDNGSCJMB-UHFFFAOYSA-N 0 0 544.302 4.941 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2cc(Cl)ccc2Cl)cc1 ZINC000059612593 554412776 /nfs/dbraw/zinc/41/27/76/554412776.db2.gz VBEOEVOWJMSRPX-UHFFFAOYSA-N 0 0 562.475 4.608 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059616929 554413353 /nfs/dbraw/zinc/41/33/53/554413353.db2.gz PAUHADHHUJYQNK-UHFFFAOYSA-N 0 0 551.596 4.581 50 0 KJAARN O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059617056 554413343 /nfs/dbraw/zinc/41/33/43/554413343.db2.gz SRFAQIXDNIJILR-UHFFFAOYSA-N 0 0 568.504 4.612 50 0 KJAARN CCOC(=O)NCc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)cc1 ZINC000059617189 554413313 /nfs/dbraw/zinc/41/33/13/554413313.db2.gz XUBSXTGFRLPDBK-UHFFFAOYSA-N 0 0 595.674 4.907 50 0 KJAARN O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000059617200 554413320 /nfs/dbraw/zinc/41/33/20/554413320.db2.gz URVVDFVFDMJBKC-UHFFFAOYSA-N 0 0 525.384 4.862 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c2ccc(Cl)cc2)cc1OC ZINC000059620370 554413639 /nfs/dbraw/zinc/41/36/39/554413639.db2.gz VJEQRPGUXRDXIW-UHFFFAOYSA-N 0 0 584.050 4.714 50 0 KJAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)CC1 ZINC000059620398 554413567 /nfs/dbraw/zinc/41/35/67/554413567.db2.gz MRBGDXFMDRITFZ-UHFFFAOYSA-N 0 0 553.910 4.605 50 0 KJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1OC ZINC000059620540 554414002 /nfs/dbraw/zinc/41/40/02/554414002.db2.gz OVKZHJRNISHNFG-UHFFFAOYSA-N 0 0 551.665 4.844 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2cccc(Cl)c2Cl)cc1 ZINC000059620566 554413923 /nfs/dbraw/zinc/41/39/23/554413923.db2.gz JDXHJKOTDHIFSK-UHFFFAOYSA-N 0 0 536.456 4.985 50 0 KJAARN CCc1nnc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2-c2ccccc2)s1 ZINC000059620600 554413959 /nfs/dbraw/zinc/41/39/59/554413959.db2.gz MCMUSIMGVPOIQO-UHFFFAOYSA-N 0 0 517.434 4.547 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000059620633 554414187 /nfs/dbraw/zinc/41/41/87/554414187.db2.gz ZNLSALNNCBMZKW-UHFFFAOYSA-N 0 0 562.475 4.608 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1I ZINC000059620668 554414246 /nfs/dbraw/zinc/41/42/46/554414246.db2.gz XCQHJDOYBMBBTI-UHFFFAOYSA-N 0 0 572.446 4.518 50 0 KJAARN CN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059620740 554414195 /nfs/dbraw/zinc/41/41/95/554414195.db2.gz SOMAXCDEXAPGIG-UHFFFAOYSA-N 0 0 523.998 4.940 50 0 KJAARN COc1ccccc1-n1c(CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)nc2ccccc2c1=O ZINC000059620761 554414243 /nfs/dbraw/zinc/41/42/43/554414243.db2.gz FMIKAXHBOKUESR-UHFFFAOYSA-N 0 0 532.578 4.762 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000059620848 554414254 /nfs/dbraw/zinc/41/42/54/554414254.db2.gz UQQSGEIZOLAAHZ-UHFFFAOYSA-N 0 0 548.492 4.855 50 0 KJAARN Cc1cc(OCc2nnc(SCC(=O)Nc3ccc(I)cc3)n2C)ccc1Cl ZINC000059620887 554414533 /nfs/dbraw/zinc/41/45/33/554414533.db2.gz MTFKQPHLGCZPQE-UHFFFAOYSA-N 0 0 528.803 4.691 50 0 KJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)cc2)cc1OC ZINC000059626380 554414538 /nfs/dbraw/zinc/41/45/38/554414538.db2.gz BPJDEOZEIWWFQB-UHFFFAOYSA-N 0 0 595.699 4.890 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CN3CCOCC3)n1-c1ccc(Cl)cc1)CCCC2 ZINC000059626659 554414850 /nfs/dbraw/zinc/41/48/50/554414850.db2.gz CSLVSYQSVQKGPX-UHFFFAOYSA-N 0 0 576.144 4.601 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 ZINC000059626702 554415177 /nfs/dbraw/zinc/41/51/77/554415177.db2.gz VNYYFVWXZZFLPK-UHFFFAOYSA-N 0 0 537.619 4.549 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)c2cccc(Cl)c2Cl)cc1 ZINC000059626807 554415149 /nfs/dbraw/zinc/41/51/49/554415149.db2.gz ZSVPOVGTJPIUGD-UHFFFAOYSA-N 0 0 536.456 4.985 50 0 KJAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000059626814 554415145 /nfs/dbraw/zinc/41/51/45/554415145.db2.gz LZMDEAVEJDDVNE-HNNXBMFYSA-N 0 0 542.466 4.587 50 0 KJAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000059626818 554415243 /nfs/dbraw/zinc/41/52/43/554415243.db2.gz LZMDEAVEJDDVNE-OAHLLOKOSA-N 0 0 542.466 4.587 50 0 KJAARN CSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cs2)n1 ZINC000059626831 554415195 /nfs/dbraw/zinc/41/51/95/554415195.db2.gz IJFJVPZFVYLZHI-UHFFFAOYSA-N 0 0 524.093 4.792 50 0 KJAARN Cc1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000059626843 554415241 /nfs/dbraw/zinc/41/52/41/554415241.db2.gz PESCVEQFXVLLMX-UHFFFAOYSA-N 0 0 559.475 4.934 50 0 KJAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000059626907 554415189 /nfs/dbraw/zinc/41/51/89/554415189.db2.gz PUJLYGQIYXKKCC-UHFFFAOYSA-N 0 0 527.075 4.607 50 0 KJAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 ZINC000059626968 554415173 /nfs/dbraw/zinc/41/51/73/554415173.db2.gz DKPRRCLKFIYENA-GGAORHGYSA-N 0 0 552.125 4.847 50 0 KJAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 ZINC000059626974 554415153 /nfs/dbraw/zinc/41/51/53/554415153.db2.gz DKPRRCLKFIYENA-GMAHTHKFSA-N 0 0 552.125 4.847 50 0 KJAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 ZINC000059626979 554415589 /nfs/dbraw/zinc/41/55/89/554415589.db2.gz DKPRRCLKFIYENA-FYYLOGMGSA-N 0 0 552.125 4.847 50 0 KJAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 ZINC000059626983 554415558 /nfs/dbraw/zinc/41/55/58/554415558.db2.gz DKPRRCLKFIYENA-JTHBVZDNSA-N 0 0 552.125 4.847 50 0 KJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)cc1OC ZINC000059627089 554415521 /nfs/dbraw/zinc/41/55/21/554415521.db2.gz UTKNHIQEZBIMJN-UHFFFAOYSA-N 0 0 523.380 4.683 50 0 KJAARN C[C@H](NC(=O)c1cccc(Cl)c1)c1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C ZINC000059627124 554415632 /nfs/dbraw/zinc/41/56/32/554415632.db2.gz WBDXDZJRKMJZSJ-NSHDSACASA-N 0 0 526.819 4.592 50 0 KJAARN C[C@@H](NC(=O)c1cccc(Cl)c1)c1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C ZINC000059627130 554415554 /nfs/dbraw/zinc/41/55/54/554415554.db2.gz WBDXDZJRKMJZSJ-LLVKDONJSA-N 0 0 526.819 4.592 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)c(C(=O)Nc2ccccc2)c1C ZINC000059627226 554415545 /nfs/dbraw/zinc/41/55/45/554415545.db2.gz SJSRELFSJSTVQH-UHFFFAOYSA-N 0 0 535.651 4.925 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1I ZINC000059627318 554415892 /nfs/dbraw/zinc/41/58/92/554415892.db2.gz TWJDIBPNNLGSLR-UHFFFAOYSA-N 0 0 572.446 4.518 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2)cc1 ZINC000059627361 554415881 /nfs/dbraw/zinc/41/58/81/554415881.db2.gz WRLPEHMGSAEMCC-UHFFFAOYSA-N 0 0 539.610 4.988 50 0 KJAARN COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000059627433 554415872 /nfs/dbraw/zinc/41/58/72/554415872.db2.gz ZWAFCDFJGMEUQU-GDLZYMKVSA-N 0 0 532.955 4.868 50 0 KJAARN COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000059627438 554415869 /nfs/dbraw/zinc/41/58/69/554415869.db2.gz ZWAFCDFJGMEUQU-LJAQVGFWSA-N 0 0 532.955 4.868 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000059630555 554416105 /nfs/dbraw/zinc/41/61/05/554416105.db2.gz SSOLQZRLGLZUPQ-UHFFFAOYSA-N 0 0 548.492 4.855 50 0 KJAARN CC(C)c1cc(Br)ccc1NC(=O)CSc1nnc(CCNC(=O)c2ccc(F)cc2)n1C ZINC000059630565 554416029 /nfs/dbraw/zinc/41/60/29/554416029.db2.gz OYNPODPBWHUXMM-UHFFFAOYSA-N 0 0 534.455 4.543 50 0 KJAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(Br)c1OC1CCCC1 ZINC000059630609 554416034 /nfs/dbraw/zinc/41/60/34/554416034.db2.gz YBMUJWXSBQDJHV-QFIPXVFZSA-N 0 0 530.488 4.888 50 0 KJAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(Br)c1OC1CCCC1 ZINC000059630613 554416172 /nfs/dbraw/zinc/41/61/72/554416172.db2.gz YBMUJWXSBQDJHV-JOCHJYFZSA-N 0 0 530.488 4.888 50 0 KJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(I)cc3C)cc2)cc1 ZINC000059630675 554416081 /nfs/dbraw/zinc/41/60/81/554416081.db2.gz VCTLXKHALLNZSG-UHFFFAOYSA-N 0 0 536.391 4.686 50 0 KJAARN Cn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000059630686 554416152 /nfs/dbraw/zinc/41/61/52/554416152.db2.gz ZRKIUWPHIRILJK-UHFFFAOYSA-N 0 0 561.264 4.727 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 ZINC000059630718 554416020 /nfs/dbraw/zinc/41/60/20/554416020.db2.gz HSRLWRYULDUKTL-UHFFFAOYSA-N 0 0 543.386 4.730 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cccc(Cl)c2Cl)cc1 ZINC000059630749 554416405 /nfs/dbraw/zinc/41/64/05/554416405.db2.gz QXDIISYXFVRGNT-UHFFFAOYSA-N 0 0 556.493 4.532 50 0 KJAARN O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000059630777 554416383 /nfs/dbraw/zinc/41/63/83/554416383.db2.gz OHEKLSMOWRTCMV-UHFFFAOYSA-N 0 0 522.429 4.677 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)cc1Cl ZINC000059630789 554416294 /nfs/dbraw/zinc/41/62/94/554416294.db2.gz ZDICXCYFVAPSLG-UHFFFAOYSA-N 0 0 568.139 4.683 50 0 KJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cc(Cl)c(Cl)cc1Cl ZINC000059630875 554416379 /nfs/dbraw/zinc/41/63/79/554416379.db2.gz BBFFVBRVPQMNFA-UHFFFAOYSA-N 0 0 530.817 4.575 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cc(Cl)ccc2OC)cc1OC ZINC000059641079 554416865 /nfs/dbraw/zinc/41/68/65/554416865.db2.gz PSMCCZCZKZGKNU-UHFFFAOYSA-N 0 0 569.861 4.962 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000059641088 554416810 /nfs/dbraw/zinc/41/68/10/554416810.db2.gz DPOMNCPLUPGZMT-UHFFFAOYSA-N 0 0 569.861 4.962 50 0 KJAARN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000059641294 554416833 /nfs/dbraw/zinc/41/68/33/554416833.db2.gz OYHXOPYSQGNUQA-UHFFFAOYSA-N 0 0 522.429 4.677 50 0 KJAARN COc1ccccc1N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000059646116 554417219 /nfs/dbraw/zinc/41/72/19/554417219.db2.gz FHAJVJDJZOXMQP-UHFFFAOYSA-N 0 0 555.700 4.824 50 0 KJAARN COc1ccc(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000059646138 554417241 /nfs/dbraw/zinc/41/72/41/554417241.db2.gz LODZQQCMSKTRJM-UHFFFAOYSA-N 0 0 585.726 4.833 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2OC)cc1OC ZINC000059646290 554417145 /nfs/dbraw/zinc/41/71/45/554417145.db2.gz OCHQQRGGIJDDSQ-UHFFFAOYSA-N 0 0 525.410 4.853 50 0 KJAARN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000059646496 554417417 /nfs/dbraw/zinc/41/74/17/554417417.db2.gz GRDRKMPIFFATFB-UHFFFAOYSA-N 0 0 522.429 4.677 50 0 KJAARN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059646546 554417433 /nfs/dbraw/zinc/41/74/33/554417433.db2.gz BJSJCPKIAPHLLP-HNNXBMFYSA-N 0 0 606.044 4.961 50 0 KJAARN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059646550 554417476 /nfs/dbraw/zinc/41/74/76/554417476.db2.gz BJSJCPKIAPHLLP-OAHLLOKOSA-N 0 0 606.044 4.961 50 0 KJAARN CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059646759 554417360 /nfs/dbraw/zinc/41/73/60/554417360.db2.gz CJBUUJAMGZDKLO-UHFFFAOYSA-N 0 0 539.610 4.704 50 0 KJAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 ZINC000059646866 554417353 /nfs/dbraw/zinc/41/73/53/554417353.db2.gz AWKMIWUKRCGSIR-UHFFFAOYSA-N 0 0 586.917 4.616 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000059647125 554417701 /nfs/dbraw/zinc/41/77/01/554417701.db2.gz YIODBIXDGUYJMF-UHFFFAOYSA-N 0 0 573.671 4.776 50 0 KJAARN COc1ccc(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059647273 554417762 /nfs/dbraw/zinc/41/77/62/554417762.db2.gz GUOYQPRGJBVORR-UHFFFAOYSA-N 0 0 585.726 4.833 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccc(C)cc2)cc1Br ZINC000059651125 554417911 /nfs/dbraw/zinc/41/79/11/554417911.db2.gz DZUUTYUPCZZZNZ-UHFFFAOYSA-N 0 0 529.456 4.546 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059651241 554418321 /nfs/dbraw/zinc/41/83/21/554418321.db2.gz VZAVZNNIQOSWKJ-UHFFFAOYSA-N 0 0 530.046 4.568 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1Br ZINC000059651313 554418244 /nfs/dbraw/zinc/41/82/44/554418244.db2.gz PYFHLDCKLHIUON-UHFFFAOYSA-N 0 0 525.446 4.676 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000059651325 554418279 /nfs/dbraw/zinc/41/82/79/554418279.db2.gz OLPIZELZQCKCQW-UHFFFAOYSA-N 0 0 520.938 4.969 50 0 KJAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000059651381 554418271 /nfs/dbraw/zinc/41/82/71/554418271.db2.gz AXVZNLULYFRTGT-UHFFFAOYSA-N 0 0 523.998 4.697 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)S(=O)(=O)c2ccccc2)cc1 ZINC000059651418 554418543 /nfs/dbraw/zinc/41/85/43/554418543.db2.gz LTQXHPWHRABBCV-UHFFFAOYSA-N 0 0 528.652 4.646 50 0 KJAARN CN(c1cccc(NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1)S(C)(=O)=O ZINC000059651424 554418573 /nfs/dbraw/zinc/41/85/73/554418573.db2.gz NFUMJLGBXGCSLA-UHFFFAOYSA-N 0 0 549.674 4.730 50 0 KJAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059651477 554418612 /nfs/dbraw/zinc/41/86/12/554418612.db2.gz AVHADKJBMFJQNK-UHFFFAOYSA-N 0 0 536.606 4.708 50 0 KJAARN COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000059651481 554418618 /nfs/dbraw/zinc/41/86/18/554418618.db2.gz FTMSWULXHATBHY-UHFFFAOYSA-N 0 0 558.678 4.573 50 0 KJAARN COc1ccc(CCNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059651502 554418592 /nfs/dbraw/zinc/41/85/92/554418592.db2.gz OTFFXUUMIFTCPH-UHFFFAOYSA-N 0 0 556.990 4.930 50 0 KJAARN COc1ccc(CCNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000059651508 554418589 /nfs/dbraw/zinc/41/85/89/554418589.db2.gz ZRORLCOWSDZIAQ-UHFFFAOYSA-N 0 0 526.964 4.922 50 0 KJAARN COc1ccc(CCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000059651549 554418540 /nfs/dbraw/zinc/41/85/40/554418540.db2.gz JSAXZTDAVBJUAQ-UHFFFAOYSA-N 0 0 537.465 4.873 50 0 KJAARN CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)sc2c1CCCC2 ZINC000059651639 554418773 /nfs/dbraw/zinc/41/87/73/554418773.db2.gz PGMRYVVDLNWXIK-UHFFFAOYSA-N 0 0 558.678 4.655 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2ccccc2OC)cc1 ZINC000059651715 554418777 /nfs/dbraw/zinc/41/87/77/554418777.db2.gz WMIYFHWXTYLHFJ-UHFFFAOYSA-N 0 0 551.665 4.600 50 0 KJAARN CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059651752 554419073 /nfs/dbraw/zinc/41/90/73/554419073.db2.gz OXPIRHWREFNICJ-UHFFFAOYSA-N 0 0 595.718 4.999 50 0 KJAARN COc1ccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059651844 554419109 /nfs/dbraw/zinc/41/91/09/554419109.db2.gz MAOJMGUZNWBVPY-UHFFFAOYSA-N 0 0 541.041 4.872 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059651901 554419098 /nfs/dbraw/zinc/41/90/98/554419098.db2.gz KXULOIWUZLMQEG-UHFFFAOYSA-N 0 0 547.608 4.598 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059651910 554419092 /nfs/dbraw/zinc/41/90/92/554419092.db2.gz QXXPQRYPJBBOEG-UHFFFAOYSA-N 0 0 539.629 4.731 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059651919 554419031 /nfs/dbraw/zinc/41/90/31/554419031.db2.gz QQFSIGYWTNUGFW-UHFFFAOYSA-N 0 0 561.635 4.641 50 0 KJAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000059652012 554419296 /nfs/dbraw/zinc/41/92/96/554419296.db2.gz RFCSKAQIEJNNAX-UHFFFAOYSA-N 0 0 573.671 4.510 50 0 KJAARN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000059652262 554419608 /nfs/dbraw/zinc/41/96/08/554419608.db2.gz ZNNFELJRBLPAIL-UHFFFAOYSA-N 0 0 557.672 4.810 50 0 KJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000059652280 554419594 /nfs/dbraw/zinc/41/95/94/554419594.db2.gz GIFSHECNFYYMGG-UHFFFAOYSA-N 0 0 561.991 4.564 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c2ccccc2)cc1 ZINC000059652341 554419791 /nfs/dbraw/zinc/41/97/91/554419791.db2.gz GNCXMOPDYLXZII-UHFFFAOYSA-N 0 0 543.645 4.502 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2Cl)cc1 ZINC000059652453 554419776 /nfs/dbraw/zinc/41/97/76/554419776.db2.gz NEWUCZKFNAGVRJ-UHFFFAOYSA-N 0 0 562.113 4.657 50 0 KJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c2ccccc2)cc1 ZINC000059652567 554419854 /nfs/dbraw/zinc/41/98/54/554419854.db2.gz FAIDFFZCFAPWBM-UHFFFAOYSA-N 0 0 557.672 4.892 50 0 KJAARN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059652572 554420130 /nfs/dbraw/zinc/42/01/30/554420130.db2.gz OGAYFDWERJXWNK-UHFFFAOYSA-N 0 0 583.663 4.778 50 0 KJAARN COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059652577 554420145 /nfs/dbraw/zinc/42/01/45/554420145.db2.gz ANMOGEJJSHHNEO-UHFFFAOYSA-N 0 0 557.672 4.810 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccc(Cl)cc2)c2ccccc2OC)cc1 ZINC000059652605 554420074 /nfs/dbraw/zinc/42/00/74/554420074.db2.gz CLNAFIFELLIOHN-UHFFFAOYSA-N 0 0 535.087 4.602 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccc(C)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000059652636 554420142 /nfs/dbraw/zinc/42/01/42/554420142.db2.gz FQUYHRZPAPGHPD-UHFFFAOYSA-N 0 0 565.113 4.778 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000059652768 554420111 /nfs/dbraw/zinc/42/01/11/554420111.db2.gz UMLMPGSHTCOFAF-UHFFFAOYSA-N 0 0 557.672 4.810 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000059652812 554420360 /nfs/dbraw/zinc/42/03/60/554420360.db2.gz LOWNEJWJOHOFHX-UHFFFAOYSA-N 0 0 581.672 4.582 50 0 KJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000059654392 554420458 /nfs/dbraw/zinc/42/04/58/554420458.db2.gz UJHYIBOZHDJJBI-UHFFFAOYSA-N 0 0 550.102 4.943 50 0 KJAARN O=C(NC[C@@H]1CCCO1)/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)NC(=O)c1ccccc1 ZINC000059677196 291880082 /nfs/dbraw/zinc/88/00/82/291880082.db2.gz BWIGCQHSZMCFQS-FANVTVCWSA-N 0 0 560.610 4.712 50 0 KJAARN O=C(NC[C@H]1CCCO1)/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)NC(=O)c1ccccc1 ZINC000059677200 291880510 /nfs/dbraw/zinc/88/05/10/291880510.db2.gz BWIGCQHSZMCFQS-YBNKYOMYSA-N 0 0 560.610 4.712 50 0 KJAARN CCOC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)N1 ZINC000059677265 554423754 /nfs/dbraw/zinc/42/37/54/554423754.db2.gz BUPGXESRUZFQJH-DHIFEGFHSA-N 0 0 554.691 4.674 50 0 biogenic,in-vitro KJAARN CCOC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)N1 ZINC000059677268 554423772 /nfs/dbraw/zinc/42/37/72/554423772.db2.gz BUPGXESRUZFQJH-JOMNFKBKSA-N 0 0 554.691 4.674 50 0 biogenic,in-vitro KJAARN CCOC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)N1 ZINC000059677271 554423809 /nfs/dbraw/zinc/42/38/09/554423809.db2.gz BUPGXESRUZFQJH-JTSJOTPCSA-N 0 0 554.691 4.674 50 0 biogenic,in-vitro KJAARN CCOC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)N1 ZINC000059677272 554423799 /nfs/dbraw/zinc/42/37/99/554423799.db2.gz BUPGXESRUZFQJH-DLFZDVPBSA-N 0 0 554.691 4.674 50 0 biogenic,in-vitro KJAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2cc1OC ZINC000059729413 554426834 /nfs/dbraw/zinc/42/68/34/554426834.db2.gz NVADGRIJZIJNMS-UHFFFAOYSA-N 0 0 577.659 4.788 50 0 KJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000059731988 554427045 /nfs/dbraw/zinc/42/70/45/554427045.db2.gz OEJGDHAMNYHJLG-UHFFFAOYSA-N 0 0 588.638 4.916 50 0 KJAARN COCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000059734972 554427056 /nfs/dbraw/zinc/42/70/56/554427056.db2.gz MJBYLIOFKXXZHW-UHFFFAOYSA-N 0 0 573.671 4.719 50 0 KJAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3c(C)cc(I)cc3C)n2C)cc1 ZINC000059735063 554427105 /nfs/dbraw/zinc/42/71/05/554427105.db2.gz UGCHESLVFJYNON-UHFFFAOYSA-N 0 0 550.466 4.951 50 0 KJAARN O=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000059739728 554428022 /nfs/dbraw/zinc/42/80/22/554428022.db2.gz FKTUCUUOQKWSSO-UHFFFAOYSA-N 0 0 582.564 4.784 50 0 KJAARN CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Br)cc1C(C)C ZINC000059749733 554427915 /nfs/dbraw/zinc/42/79/15/554427915.db2.gz GUSDNAMRRFXBGT-UHFFFAOYSA-N 0 0 576.517 4.862 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)COc3ccccc3OC)c2C(=O)Nc2ccc(OCC)cc2)C1 ZINC000059749823 554428196 /nfs/dbraw/zinc/42/81/96/554428196.db2.gz ZRBRFSSIDKTUKT-UHFFFAOYSA-N 0 0 553.637 4.940 50 0 KJAARN CC(C)CCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCN2CCOCC2)c1 ZINC000059758365 554428194 /nfs/dbraw/zinc/42/81/94/554428194.db2.gz WJIWVARIFBKTFJ-RUZDIDTESA-N 0 0 555.469 4.858 50 0 KJAARN CC(C)CCOc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCN2CCOCC2)c1 ZINC000059758366 554428144 /nfs/dbraw/zinc/42/81/44/554428144.db2.gz WJIWVARIFBKTFJ-VWLOTQADSA-N 0 0 555.469 4.858 50 0 KJAARN CCc1cccc(CC)c1NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000059758374 554428119 /nfs/dbraw/zinc/42/81/19/554428119.db2.gz GDRIVXQRGBLBJN-UHFFFAOYSA-N 0 0 542.654 4.680 50 0 KJAARN CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059758375 554428200 /nfs/dbraw/zinc/42/82/00/554428200.db2.gz OVAIRCGUOVUJJU-UHFFFAOYSA-N 0 0 542.057 4.809 50 0 KJAARN COC(=O)c1sc(NC(=S)Nc2ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c(C(=O)OC)c1C ZINC000059768776 554428660 /nfs/dbraw/zinc/42/86/60/554428660.db2.gz MWSDPGKCKDHHAJ-UHFFFAOYSA-N 0 0 577.750 4.686 50 0 KJAARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000059771990 554428643 /nfs/dbraw/zinc/42/86/43/554428643.db2.gz YHVCWYMHKNBFAX-UHFFFAOYSA-N 0 0 541.983 4.569 50 0 KJAARN CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000059778550 554429374 /nfs/dbraw/zinc/42/93/74/554429374.db2.gz WIRHKAAWQTYAEV-UHFFFAOYSA-N 0 0 557.982 4.648 50 0 KJAARN O=C(COc1ccccc1)Nc1nnc(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000059778556 554429361 /nfs/dbraw/zinc/42/93/61/554429361.db2.gz LWLDGGUKQYFHEB-UHFFFAOYSA-N 0 0 559.717 4.582 50 0 KJAARN CCOc1ccc(NC(=S)N[C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000059819321 554430924 /nfs/dbraw/zinc/43/09/24/554430924.db2.gz OJKUMERIVCGSLC-IBGZPJMESA-N 0 0 536.865 4.524 50 0 KJAARN CCOc1ccc(NC(=S)N[C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000059819323 554430936 /nfs/dbraw/zinc/43/09/36/554430936.db2.gz OJKUMERIVCGSLC-LJQANCHMSA-N 0 0 536.865 4.524 50 0 KJAARN COc1cc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000059819375 554430928 /nfs/dbraw/zinc/43/09/28/554430928.db2.gz OZRHYBCLMNBSDU-XUZZJYLKSA-N 0 0 559.589 4.527 50 0 KJAARN COc1cc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000059819380 554430939 /nfs/dbraw/zinc/43/09/39/554430939.db2.gz OZRHYBCLMNBSDU-ZJSXRUAMSA-N 0 0 559.589 4.527 50 0 KJAARN COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000059819383 554431078 /nfs/dbraw/zinc/43/10/78/554431078.db2.gz OZRHYBCLMNBSDU-URXFXBBRSA-N 0 0 559.589 4.527 50 0 KJAARN COc1cc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000059819386 554431002 /nfs/dbraw/zinc/43/10/02/554431002.db2.gz OZRHYBCLMNBSDU-QPPBQGQZSA-N 0 0 559.589 4.527 50 0 KJAARN COc1ccc2c(c1)sc(C(=O)N1CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC1)c2Cl ZINC000059821326 554431316 /nfs/dbraw/zinc/43/13/16/554431316.db2.gz NBEAQRDXQWUUTG-UHFFFAOYSA-N 0 0 534.037 4.771 50 0 KJAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCCOc1cccc(C)c1 ZINC000059821610 554431437 /nfs/dbraw/zinc/43/14/37/554431437.db2.gz OUEANOGJBIEITQ-HAHDFKILSA-N 0 0 584.435 4.836 50 0 KJAARN COc1ccccc1OCCOc1ccc(Br)cc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000059824029 554431431 /nfs/dbraw/zinc/43/14/31/554431431.db2.gz LTGBAVUUFIXCOE-HAHDFKILSA-N 0 0 523.408 4.686 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000059824132 554431806 /nfs/dbraw/zinc/43/18/06/554431806.db2.gz BMCYAUULTKVNNV-UHFFFAOYSA-N 0 0 528.652 4.818 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000059824160 554431798 /nfs/dbraw/zinc/43/17/98/554431798.db2.gz CXBFHDWRVZWCIX-UHFFFAOYSA-N 0 0 528.652 4.818 50 0 KJAARN O=C1C=CC(=O)N1c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1 ZINC000059824418 554431782 /nfs/dbraw/zinc/43/17/82/554431782.db2.gz NJMJISMIDHAPSG-UHFFFAOYSA-N 0 0 592.585 4.963 50 0 KJAARN Cc1c(C(c2ccc(I)o2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000059826367 554432215 /nfs/dbraw/zinc/43/22/15/554432215.db2.gz UUDLEBDAWVAVND-UHFFFAOYSA-N 0 0 580.426 4.660 50 0 KJAARN COc1cc(C(=O)N[C@H](NC(=S)Nc2ccccc2Br)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000059829413 554432342 /nfs/dbraw/zinc/43/23/42/554432342.db2.gz GFSRQGIMXLGKHN-QGZVFWFLSA-N 0 0 571.708 4.888 50 0 KJAARN COc1cc2c(cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC1)oc1ccccc12 ZINC000059833750 554432718 /nfs/dbraw/zinc/43/27/18/554432718.db2.gz FIUWLORPXWBBFH-FQEVSTJZSA-N 0 0 521.639 4.545 50 0 KJAARN COc1cc2c(cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC1)oc1ccccc12 ZINC000059833751 554432688 /nfs/dbraw/zinc/43/26/88/554432688.db2.gz FIUWLORPXWBBFH-HXUWFJFHSA-N 0 0 521.639 4.545 50 0 KJAARN O=C(Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000059835417 554436795 /nfs/dbraw/zinc/43/67/95/554436795.db2.gz RKGSQTIPUGBNFQ-UHFFFAOYSA-N 0 0 544.453 4.845 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2OC)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000059835561 554437252 /nfs/dbraw/zinc/43/72/52/554437252.db2.gz JUMJKWTYTPEGJY-UHFFFAOYSA-N 0 0 558.609 4.781 50 0 KJAARN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)Nc1ccc(F)c(F)c1F ZINC000059836995 554441654 /nfs/dbraw/zinc/44/16/54/554441654.db2.gz JNRTVAPVYMWGHU-UHFFFAOYSA-N 0 0 515.307 4.685 50 0 KJAARN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000059844822 554448324 /nfs/dbraw/zinc/44/83/24/554448324.db2.gz SGPHQFMFCYFRDF-UHFFFAOYSA-N 0 0 552.018 4.899 50 0 KJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCN(c4ccccc4F)CC2)C3=O)cc1Cl ZINC000059845067 554448583 /nfs/dbraw/zinc/44/85/83/554448583.db2.gz HHSYUOKJISDRPQ-MUUNZHRXSA-N 0 0 537.060 4.847 50 0 KJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCN(c4ccccc4F)CC2)C3=O)cc1Cl ZINC000059845069 554448510 /nfs/dbraw/zinc/44/85/10/554448510.db2.gz HHSYUOKJISDRPQ-NDEPHWFRSA-N 0 0 537.060 4.847 50 0 KJAARN Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(I)ccc2O)c(=O)n(-c2ccccc2)n1C ZINC000059845090 554448528 /nfs/dbraw/zinc/44/85/28/554448528.db2.gz JFURMVKBGKCTRL-UHFFFAOYSA-N 0 0 606.464 4.773 50 0 KJAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000059895846 554472313 /nfs/dbraw/zinc/47/23/13/554472313.db2.gz YAJYKFWDBFQERW-UHFFFAOYSA-N 0 0 590.793 4.601 50 0 KJAARN COc1cc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3S2)cc(OC)c1OC ZINC000060180224 554502474 /nfs/dbraw/zinc/50/24/74/554502474.db2.gz ZRTCUARAYQTZQE-VWLOTQADSA-N 0 0 535.622 4.880 50 0 KJAARN COc1cc([C@H]2CC(=O)N(CC(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3S2)cc(OC)c1OC ZINC000060180225 554502450 /nfs/dbraw/zinc/50/24/50/554502450.db2.gz ZRTCUARAYQTZQE-RUZDIDTESA-N 0 0 535.622 4.880 50 0 KJAARN COc1cc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3S2)cc(OC)c1OC ZINC000060180226 554502455 /nfs/dbraw/zinc/50/24/55/554502455.db2.gz JJRIRGYCTDOLCF-VWLOTQADSA-N 0 0 535.622 4.880 50 0 KJAARN COc1cc([C@H]2CC(=O)N(CC(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3S2)cc(OC)c1OC ZINC000060180227 554502425 /nfs/dbraw/zinc/50/24/25/554502425.db2.gz JJRIRGYCTDOLCF-RUZDIDTESA-N 0 0 535.622 4.880 50 0 KJAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000060243894 554504485 /nfs/dbraw/zinc/50/44/85/554504485.db2.gz FXCAZOBWLKNSCY-UHFFFAOYSA-N 0 0 534.635 4.665 50 0 KJAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc3[nH]c(=O)cc(C)n32)cc1 ZINC000060251167 554504392 /nfs/dbraw/zinc/50/43/92/554504392.db2.gz XVZBHWBUWIFGQR-FQEVSTJZSA-N 0 0 537.443 4.679 50 0 KJAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc3[nH]c(=O)cc(C)n32)cc1 ZINC000060251169 554504443 /nfs/dbraw/zinc/50/44/43/554504443.db2.gz XVZBHWBUWIFGQR-HXUWFJFHSA-N 0 0 537.443 4.679 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000060277216 554504924 /nfs/dbraw/zinc/50/49/24/554504924.db2.gz VFYRSNGTHJMVCM-UHFFFAOYSA-N 0 0 539.082 4.664 50 0 KJAARN N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=NC(=O)c1ccc(Cl)cc1Cl ZINC000060298375 1066478770 /nfs/dbraw/zinc/47/87/70/1066478770.db2.gz VQWXRCHIKGBREV-UHFFFAOYSA-N 0 0 500.345 4.617 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc(C(F)(F)F)cc(=O)[nH]3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000060321459 554505507 /nfs/dbraw/zinc/50/55/07/554505507.db2.gz HOUNTFRJTGOIAK-SFHVURJKSA-N 0 0 548.543 4.697 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc(C(F)(F)F)cc(=O)[nH]3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000060321463 554505546 /nfs/dbraw/zinc/50/55/46/554505546.db2.gz HOUNTFRJTGOIAK-GOSISDBHSA-N 0 0 548.543 4.697 50 0 KJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1OC ZINC000060321465 554505497 /nfs/dbraw/zinc/50/54/97/554505497.db2.gz CNCSRWXYPNOXSY-AWEZNQCLSA-N 0 0 524.546 4.750 50 0 KJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1OC ZINC000060321468 554505485 /nfs/dbraw/zinc/50/54/85/554505485.db2.gz CNCSRWXYPNOXSY-CQSZACIVSA-N 0 0 524.546 4.750 50 0 KJAARN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000061943452 554505750 /nfs/dbraw/zinc/50/57/50/554505750.db2.gz BGDFYIBNSIWRMJ-UHFFFAOYSA-N 0 0 518.536 4.523 50 0 KJAARN COc1cc(CN(C[C@@H]2CCCO2)c2nc3nccnc3c(Nc3cc(C)ccc3C)n2)cc(OC)c1OC ZINC000061997291 554506092 /nfs/dbraw/zinc/50/60/92/554506092.db2.gz KWZUSSUBKOTMCF-NRFANRHFSA-N 0 0 530.629 4.992 50 0 KJAARN COc1cc(CN(C[C@H]2CCCO2)c2nc3nccnc3c(Nc3cc(C)ccc3C)n2)cc(OC)c1OC ZINC000061997292 554506103 /nfs/dbraw/zinc/50/61/03/554506103.db2.gz KWZUSSUBKOTMCF-OAQYLSRUSA-N 0 0 530.629 4.992 50 0 KJAARN Cc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000061997758 554506088 /nfs/dbraw/zinc/50/60/88/554506088.db2.gz NMSPFJVOAUCHFT-BAAZAXTHSA-N 0 0 512.009 4.971 50 0 biogenic KJAARN Cc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000061999373 554506373 /nfs/dbraw/zinc/50/63/73/554506373.db2.gz KXZMEDIJZBYICC-BAAZAXTHSA-N 0 0 512.009 4.971 50 0 biogenic KJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N1CCC(O)(c3ccc(Cl)cc3)CC1)C(=O)OC2 ZINC000062001744 554506324 /nfs/dbraw/zinc/50/63/24/554506324.db2.gz LSTKVCZWIOOMQA-HAVNEIBRSA-N 0 0 514.018 4.812 50 0 biogenic KJAARN CN(c1ccc(OCC(=O)OCc2csc(-c3ccccc3)n2)cc1)S(=O)(=O)c1cccs1 ZINC000062552237 554506609 /nfs/dbraw/zinc/50/66/09/554506609.db2.gz ZZCZLPMDNVDMLF-UHFFFAOYSA-N 0 0 500.623 4.819 50 0 KJAARN COc1cc(-c2nn(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=S)o2)cc(OC)c1OC ZINC000062644312 554507749 /nfs/dbraw/zinc/50/77/49/554507749.db2.gz IIHFZYSFYVMRQP-UHFFFAOYSA-N 0 0 510.538 4.697 50 0 KJAARN COc1ccc(OC)c(-n2c(-c3ccc(C)cc3)nn(CN3CCN(c4ccc(O)cc4)CC3)c2=S)c1 ZINC000062644350 554507777 /nfs/dbraw/zinc/50/77/77/554507777.db2.gz ARSPUAUDTRFABW-UHFFFAOYSA-N 0 0 517.655 4.881 50 0 KJAARN CCC(=O)Nc1c(-c2nc(-c3ccc(C)cc3)no2)c(SC)nn1CC(=O)Nc1ccc(OC)cc1 ZINC000062728206 554508266 /nfs/dbraw/zinc/50/82/66/554508266.db2.gz PAQOTVAHSFHYIC-UHFFFAOYSA-N 0 0 506.588 4.626 50 0 KJAARN COc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(Br)cc4)no3)c2=O)c1 ZINC000062728228 554508258 /nfs/dbraw/zinc/50/82/58/554508258.db2.gz PAGSEMAKWTWHHH-UHFFFAOYSA-N 0 0 509.360 4.592 50 0 KJAARN O=C(CN1CCN(c2ccccc2F)CC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000063426897 554508878 /nfs/dbraw/zinc/50/88/78/554508878.db2.gz XCUDOMQIYOPTGX-UHFFFAOYSA-N 0 0 527.596 4.613 50 0 KJAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(C)c1 ZINC000063437304 554508970 /nfs/dbraw/zinc/50/89/70/554508970.db2.gz UHSMSIOUYXHVGA-UHFFFAOYSA-N 0 0 506.466 4.704 50 0 KJAARN CCCCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(c2ccccc2F)CC1 ZINC000063453816 554509368 /nfs/dbraw/zinc/50/93/68/554509368.db2.gz IFMAVLHXVVKYAC-UHFFFAOYSA-N 0 0 507.606 4.603 50 0 KJAARN COc1ccc(Nc2cc(C(=O)NCCN3CCN(c4ccccc4)CC3)c3ccccc3n2)c(OC)c1 ZINC000063473082 554509202 /nfs/dbraw/zinc/50/92/02/554509202.db2.gz KHAKHFLZMOEFIB-UHFFFAOYSA-N 0 0 511.626 4.548 50 0 KJAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCN1CCN(c2ccccc2F)CC1 ZINC000063480828 554509242 /nfs/dbraw/zinc/50/92/42/554509242.db2.gz XIEHCSSUXHCNBY-UHFFFAOYSA-N 0 0 513.082 4.937 50 0 KJAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1 ZINC000063502980 554509698 /nfs/dbraw/zinc/50/96/98/554509698.db2.gz SBKZGSGPYUUDMH-UHFFFAOYSA-N 0 0 507.059 4.917 50 0 KJAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NCCN4CCN(c5cccc(C)c5C)CC4)C3)nc2c(C)c1 ZINC000063505968 554509708 /nfs/dbraw/zinc/50/97/08/554509708.db2.gz QFNLAGDFEOLNHP-XMMPIXPASA-N 0 0 505.732 4.685 50 0 KJAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCCN4CCN(c5cccc(C)c5C)CC4)C3)nc2c(C)c1 ZINC000063505973 554509676 /nfs/dbraw/zinc/50/96/76/554509676.db2.gz QFNLAGDFEOLNHP-DEOSSOPVSA-N 0 0 505.732 4.685 50 0 KJAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000063567340 554509909 /nfs/dbraw/zinc/50/99/09/554509909.db2.gz BOJVTWTXBCAVGD-UHFFFAOYSA-N 0 0 517.077 4.794 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000063567358 554510115 /nfs/dbraw/zinc/51/01/15/554510115.db2.gz CRPOCSZIRMSKSE-UHFFFAOYSA-N 0 0 521.040 4.624 50 0 KJAARN O=C(CN1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1)Nc1ccc(Br)cc1 ZINC000063587564 554510206 /nfs/dbraw/zinc/51/02/06/554510206.db2.gz PBUPVRNURYPMMH-UHFFFAOYSA-N 0 0 508.445 4.882 50 0 KJAARN COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000063663843 554510213 /nfs/dbraw/zinc/51/02/13/554510213.db2.gz CPAVDNWZXPDGEU-BVZFJXPGSA-N 0 0 513.635 4.595 50 0 KJAARN COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000063663845 554510200 /nfs/dbraw/zinc/51/02/00/554510200.db2.gz CPAVDNWZXPDGEU-CJAUYULYSA-N 0 0 513.635 4.595 50 0 KJAARN COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000063663847 554510005 /nfs/dbraw/zinc/51/00/05/554510005.db2.gz CPAVDNWZXPDGEU-AVRWGWEMSA-N 0 0 513.635 4.595 50 0 KJAARN COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000063663849 554509895 /nfs/dbraw/zinc/50/98/95/554509895.db2.gz CPAVDNWZXPDGEU-IQGLISFBSA-N 0 0 513.635 4.595 50 0 KJAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000063729437 554510270 /nfs/dbraw/zinc/51/02/70/554510270.db2.gz WCUCXTQWIABPDP-ONUIUJJFSA-N 0 0 519.070 4.977 50 0 KJAARN O=C(COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1)NC1C2CC3CC(C2)CC1C3 ZINC000064058447 1066498299 /nfs/dbraw/zinc/49/82/99/1066498299.db2.gz PFYXRPYISXQVNH-UHFFFAOYSA-N 0 0 537.708 4.786 50 0 KJAARN COc1ccc(-c2nc3sc(N(C)CC(=O)NCCCc4ccccc4)nn3c2NC(C)(C)C)cc1 ZINC000064438846 554510750 /nfs/dbraw/zinc/51/07/50/554510750.db2.gz OSVTVLOBRTUXTF-UHFFFAOYSA-N 0 0 506.676 4.862 50 0 KJAARN COC(=O)c1ccccc1NC(=O)N1CCCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000064450094 554511029 /nfs/dbraw/zinc/51/10/29/554511029.db2.gz RAJNFGNADDQKMR-UHFFFAOYSA-N 0 0 522.403 4.781 50 0 KJAARN COc1cccc(CNC(=O)N2CCCN(c3nc4cc(Br)ccc4n4cccc34)CC2)c1 ZINC000064450109 554511105 /nfs/dbraw/zinc/51/11/05/554511105.db2.gz HHSYRJXKRUNAKW-UHFFFAOYSA-N 0 0 508.420 4.681 50 0 KJAARN COC(=O)c1cccc(NC(=O)N2CCCN(c3nc4cc(Br)ccc4n4cccc34)CC2)c1 ZINC000064450110 554511053 /nfs/dbraw/zinc/51/10/53/554511053.db2.gz JZXMKYCGSBPXIH-UHFFFAOYSA-N 0 0 522.403 4.781 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000064450135 554511084 /nfs/dbraw/zinc/51/10/84/554511084.db2.gz LQZWYUSIWVMXQR-UHFFFAOYSA-N 0 0 522.403 4.781 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)c1 ZINC000064450137 554511059 /nfs/dbraw/zinc/51/10/59/554511059.db2.gz OBYGUUWVANCMJF-UHFFFAOYSA-N 0 0 522.403 4.781 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)cc1 ZINC000064450139 554511314 /nfs/dbraw/zinc/51/13/14/554511314.db2.gz SQOLPUMANDGHLP-UHFFFAOYSA-N 0 0 522.403 4.781 50 0 KJAARN CCN(CC)c1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2=O)c(C)c1 ZINC000064491141 554511421 /nfs/dbraw/zinc/51/14/21/554511421.db2.gz HLFCUMCCFCKMCC-UHFFFAOYSA-N 0 0 516.063 4.745 50 0 KJAARN O=C(CSc1nc2ccc(Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2s1)NCc1ccccc1 ZINC000064503663 554511408 /nfs/dbraw/zinc/51/14/08/554511408.db2.gz WKRLJPBFROHPMS-UHFFFAOYSA-N 0 0 546.726 4.834 50 0 KJAARN COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000064558377 554512017 /nfs/dbraw/zinc/51/20/17/554512017.db2.gz UBUGWLNVYZFFKC-JOCHJYFZSA-N 0 0 511.983 4.762 50 0 KJAARN COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000064558379 554512086 /nfs/dbraw/zinc/51/20/86/554512086.db2.gz UBUGWLNVYZFFKC-QFIPXVFZSA-N 0 0 511.983 4.762 50 0 KJAARN CSc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000064558407 554512052 /nfs/dbraw/zinc/51/20/52/554512052.db2.gz BWWSVUKCERWOCT-HSZRJFAPSA-N 0 0 509.605 4.773 50 0 KJAARN CSc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000064558410 554512002 /nfs/dbraw/zinc/51/20/02/554512002.db2.gz BWWSVUKCERWOCT-QHCPKHFHSA-N 0 0 509.605 4.773 50 0 KJAARN COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000064558436 554512073 /nfs/dbraw/zinc/51/20/73/554512073.db2.gz GIZWBFGLWCAATG-JOCHJYFZSA-N 0 0 511.983 4.762 50 0 KJAARN COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2Cl)cc1 ZINC000064558437 554512111 /nfs/dbraw/zinc/51/21/11/554512111.db2.gz GIZWBFGLWCAATG-QFIPXVFZSA-N 0 0 511.983 4.762 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)cc2)CC3)c2ccccc2)cc1 ZINC000064566801 554512361 /nfs/dbraw/zinc/51/23/61/554512361.db2.gz LYDKACVDSARSRS-UHFFFAOYSA-N 0 0 514.651 4.631 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccccc2C)CC3)c2ccccc2)cc1 ZINC000064566803 554512312 /nfs/dbraw/zinc/51/23/12/554512312.db2.gz KWPSDKHEWWBLFK-UHFFFAOYSA-N 0 0 514.651 4.631 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2cc(C)ccc2C)CC3)c2ccccc2)cc1 ZINC000064566805 554512379 /nfs/dbraw/zinc/51/23/79/554512379.db2.gz HXIJRNMWOOCMHM-UHFFFAOYSA-N 0 0 528.678 4.939 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)cc2C)CC3)c2ccccc2)cc1 ZINC000064566807 554512372 /nfs/dbraw/zinc/51/23/72/554512372.db2.gz IOPPROSSAMMKPA-UHFFFAOYSA-N 0 0 528.678 4.939 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)c(C)c2)CC3)c2ccccc2)cc1 ZINC000064566808 554512329 /nfs/dbraw/zinc/51/23/29/554512329.db2.gz ZWANSQMPEBDKDM-UHFFFAOYSA-N 0 0 528.678 4.939 50 0 KJAARN CCc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(C)cc4)c4ccccc4)nn3C)C2)cc1 ZINC000064566809 554512343 /nfs/dbraw/zinc/51/23/43/554512343.db2.gz AUEYRDIGXKAJNQ-UHFFFAOYSA-N 0 0 528.678 4.885 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2cccc(C)c2)CC3)c2ccccc2)cc1 ZINC000064566813 554512332 /nfs/dbraw/zinc/51/23/32/554512332.db2.gz MTSMQRFFGLNDCG-UHFFFAOYSA-N 0 0 514.651 4.631 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2cc(C)cc(C)c2)CC3)c2ccccc2)cc1 ZINC000064566814 554512302 /nfs/dbraw/zinc/51/23/02/554512302.db2.gz KSNOAAVSCHSYEZ-UHFFFAOYSA-N 0 0 528.678 4.939 50 0 KJAARN CCCc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4)c4ccccc4)nn3C)C2)cc1 ZINC000064566834 554512558 /nfs/dbraw/zinc/51/25/58/554512558.db2.gz IJCCYXSEAAURMO-UHFFFAOYSA-N 0 0 528.678 4.967 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4)c4ccccc4)nn3C)C2)c(C)c1 ZINC000064566839 554512599 /nfs/dbraw/zinc/51/25/99/554512599.db2.gz CLYDLGAOWPKFBI-UHFFFAOYSA-N 0 0 528.678 4.939 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4)c4ccccc4)nn3C)C2)c1 ZINC000064566849 554512684 /nfs/dbraw/zinc/51/26/84/554512684.db2.gz OVXKVSATDVUZMW-UHFFFAOYSA-N 0 0 514.651 4.631 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4)c4ccccc4)nn3C)C2)c(C)c1 ZINC000064566851 554512632 /nfs/dbraw/zinc/51/26/32/554512632.db2.gz HAPPAYNUPQNAJE-UHFFFAOYSA-N 0 0 514.651 4.631 50 0 KJAARN CCc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4)c4ccccc4)nn3C)C2)cc1 ZINC000064566856 554512627 /nfs/dbraw/zinc/51/26/27/554512627.db2.gz GWEXPYASFGADIS-UHFFFAOYSA-N 0 0 514.651 4.577 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000064566857 554512554 /nfs/dbraw/zinc/51/25/54/554512554.db2.gz KFYKYSWBNVZIIZ-UHFFFAOYSA-N 0 0 521.042 4.668 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000064566859 554512587 /nfs/dbraw/zinc/51/25/87/554512587.db2.gz ZPJWLSATBCUNGA-UHFFFAOYSA-N 0 0 521.042 4.668 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4)c4ccccc4)nn3C)C2)cc1C ZINC000064566864 554512564 /nfs/dbraw/zinc/51/25/64/554512564.db2.gz YOPIJDIJCDIBAL-UHFFFAOYSA-N 0 0 528.678 4.939 50 0 KJAARN Cc1cc(C)cc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4)c4ccccc4)nn3C)C2)c1 ZINC000064566867 554512613 /nfs/dbraw/zinc/51/26/13/554512613.db2.gz ZHKXSRYMUSHWAG-UHFFFAOYSA-N 0 0 514.651 4.631 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc3c(c1)CCC3)C2 ZINC000064566868 554512573 /nfs/dbraw/zinc/51/25/73/554512573.db2.gz HWSHHSKGUGNLEA-UHFFFAOYSA-N 0 0 526.662 4.503 50 0 KJAARN COc1ccc(OC(C)=O)c(C2=NN(C(C)=O)[C@H](c3ccc(NC(=O)c4ccccc4Cl)cc3)O2)c1 ZINC000064567854 554512841 /nfs/dbraw/zinc/51/28/41/554512841.db2.gz VKDROLCDJRVKEL-SANMLTNESA-N 0 0 507.930 4.765 50 0 KJAARN COc1ccc(OC(C)=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(NC(=O)c4ccccc4Cl)cc3)O2)c1 ZINC000064567855 554512819 /nfs/dbraw/zinc/51/28/19/554512819.db2.gz VKDROLCDJRVKEL-AREMUKBSSA-N 0 0 507.930 4.765 50 0 KJAARN COc1ccc(NC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N3CCCC3)CC2)cc1Cl ZINC000064612393 554513249 /nfs/dbraw/zinc/51/32/49/554513249.db2.gz CINHANQSAGOMHM-UHFFFAOYSA-N 0 0 514.051 4.753 50 0 KJAARN CCc1ccc(CNC(=O)CN(C)c2nn3c(nc(-c4ccc(OC)cc4)c3NC(C)(C)C)s2)cc1 ZINC000064703615 554514062 /nfs/dbraw/zinc/51/40/62/554514062.db2.gz HTKVGWUSUXSUKP-UHFFFAOYSA-N 0 0 506.676 4.992 50 0 KJAARN Cc1cccc(-c2nc3sc(N(C)CC(=O)N4CCN(c5ccccc5)CC4)nn3c2NC(C)(C)C)c1 ZINC000064703641 554514052 /nfs/dbraw/zinc/51/40/52/554514052.db2.gz HQUNJCROVNAZPX-UHFFFAOYSA-N 0 0 517.703 4.762 50 0 KJAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCc4ccc(OC)cc4)nn3c2NC(C)(C)C)cc1 ZINC000064703727 554514098 /nfs/dbraw/zinc/51/40/98/554514098.db2.gz PNWWDQYGJQSOHK-UHFFFAOYSA-N 0 0 506.676 4.992 50 0 KJAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCc4ccccc4OC)nn3c2NC(C)(C)C)cc1 ZINC000064703771 554514105 /nfs/dbraw/zinc/51/41/05/554514105.db2.gz XRVYACGETWTSSV-UHFFFAOYSA-N 0 0 506.676 4.992 50 0 KJAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCc4cccc(OC)c4)nn3c2NC(C)(C)C)cc1 ZINC000064703773 554513941 /nfs/dbraw/zinc/51/39/41/554513941.db2.gz GVRLECMIQXFEQZ-UHFFFAOYSA-N 0 0 506.676 4.992 50 0 KJAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCc4c(C)noc4C)nn3c2NC(C)(C)C)cc1 ZINC000064703796 554514086 /nfs/dbraw/zinc/51/40/86/554514086.db2.gz OLYJZYCYMHATIN-UHFFFAOYSA-N 0 0 509.680 4.631 50 0 KJAARN CCOc1ccccc1CNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703945 554514254 /nfs/dbraw/zinc/51/42/54/554514254.db2.gz CKICZBCPUWTXFW-UHFFFAOYSA-N 0 0 510.639 4.959 50 0 KJAARN CCOc1ccc(CNC(=O)CN(C)c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)cc1 ZINC000064703957 554514252 /nfs/dbraw/zinc/51/42/52/554514252.db2.gz RBDQSTACOXNUNE-UHFFFAOYSA-N 0 0 510.639 4.959 50 0 KJAARN COC(=O)c1ccccc1NC(=O)CN(C)c1nn2c(nc(-c3ccc(C)cc3)c2NC(C)(C)C)s1 ZINC000064704014 554514606 /nfs/dbraw/zinc/51/46/06/554514606.db2.gz CTXQZHQDYPDAHV-UHFFFAOYSA-N 0 0 506.632 4.838 50 0 KJAARN Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCN(c5ccccc5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064704021 554514652 /nfs/dbraw/zinc/51/46/52/554514652.db2.gz QOYLXSGFMBSKTR-UHFFFAOYSA-N 0 0 517.703 4.762 50 0 KJAARN CCOc1ccccc1CNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704285 554514837 /nfs/dbraw/zinc/51/48/37/554514837.db2.gz GVMXKOCJPQLURN-UHFFFAOYSA-N 0 0 510.639 4.959 50 0 KJAARN CCOc1ccc(OCC)c(NC(=O)CSc2nnc3c4cc(-c5ccc(OC)cc5)nn4ccn23)c1 ZINC000064712754 554515186 /nfs/dbraw/zinc/51/51/86/554515186.db2.gz UQPLNBPCLOOQMF-UHFFFAOYSA-N 0 0 518.599 4.581 50 0 KJAARN COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5cccc(Br)c5)n4ccn3n2)cc1 ZINC000064712759 554515247 /nfs/dbraw/zinc/51/52/47/554515247.db2.gz IQWUHKGXBZLKKW-UHFFFAOYSA-N 0 0 509.389 4.546 50 0 KJAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c1-c1nc(-c2ccc(Br)cc2)no1 ZINC000064775014 554515215 /nfs/dbraw/zinc/51/52/15/554515215.db2.gz KJDJGVKOWUBKSY-UHFFFAOYSA-N 0 0 515.314 4.862 50 0 KJAARN Cc1cc(C)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1-c1nc(-c2ccc(Br)cc2)no1 ZINC000064775015 554515231 /nfs/dbraw/zinc/51/52/31/554515231.db2.gz YHWHNFLWWQJJLP-UHFFFAOYSA-N 0 0 515.314 4.862 50 0 KJAARN CCCOc1ccc(Cn2c3nn(Cc4cccc(C(F)(F)F)c4)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064775158 554515488 /nfs/dbraw/zinc/51/54/88/554515488.db2.gz RPOOHAVGRRLCJS-UHFFFAOYSA-N 0 0 514.529 4.777 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc3oc(-c4nc(-c5ccc6c(c5)OCO6)no4)c(C)c3c2)cc1 ZINC000064775173 554515472 /nfs/dbraw/zinc/51/54/72/554515472.db2.gz AEGXCQYXIYQOBJ-UHFFFAOYSA-N 0 0 505.508 4.996 50 0 KJAARN O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000064775348 554515828 /nfs/dbraw/zinc/51/58/28/554515828.db2.gz WAOUPQBCYAZODU-UHFFFAOYSA-N 0 0 509.937 4.549 50 0 KJAARN CCOc1ccc(CCNC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)cc1OCC ZINC000064775442 554515804 /nfs/dbraw/zinc/51/58/04/554515804.db2.gz MADQIMUEMGIKJW-UHFFFAOYSA-N 0 0 515.705 4.715 50 0 KJAARN CCN(CC)c1ccc([C@H]2OCC(C)(C)n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788281 554516033 /nfs/dbraw/zinc/51/60/33/554516033.db2.gz ZFYQASCLZHFIPS-HHHXNRCGSA-N 0 0 500.643 4.715 50 0 KJAARN CCN(CC)c1ccc([C@@H]2OCC(C)(C)n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000064788282 554516040 /nfs/dbraw/zinc/51/60/40/554516040.db2.gz ZFYQASCLZHFIPS-MHZLTWQESA-N 0 0 500.643 4.715 50 0 KJAARN O=C(c1cccc2ccccc21)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789742 554516008 /nfs/dbraw/zinc/51/60/08/554516008.db2.gz LAAZKGAWBQICPH-UHFFFAOYSA-N 0 0 513.575 4.883 50 0 KJAARN O=C(c1ccc(Cl)cc1)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789761 554516000 /nfs/dbraw/zinc/51/60/00/554516000.db2.gz YMJQSQVXCMQCAQ-UHFFFAOYSA-N 0 0 514.028 4.852 50 0 KJAARN O=C(c1ccccc1Cl)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789764 554515986 /nfs/dbraw/zinc/51/59/86/554515986.db2.gz YRXQQEUTEPNILC-UHFFFAOYSA-N 0 0 514.028 4.852 50 0 KJAARN O=C(c1cccc(Cl)c1)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789767 554516030 /nfs/dbraw/zinc/51/60/30/554516030.db2.gz WWNZEWUPEZAJNM-UHFFFAOYSA-N 0 0 514.028 4.852 50 0 KJAARN CCOc1ccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000064789781 554516038 /nfs/dbraw/zinc/51/60/38/554516038.db2.gz YQAKFIHMKSBMGM-UHFFFAOYSA-N 0 0 523.636 4.597 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000064789788 554516043 /nfs/dbraw/zinc/51/60/43/554516043.db2.gz GCDLEZDZPNPTJZ-UHFFFAOYSA-N 0 0 511.987 4.692 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000064789790 554515982 /nfs/dbraw/zinc/51/59/82/554515982.db2.gz QXCVKKQPBFARRX-UHFFFAOYSA-N 0 0 511.987 4.692 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000064789795 554515992 /nfs/dbraw/zinc/51/59/92/554515992.db2.gz HXKCGZFGTIHRBJ-UHFFFAOYSA-N 0 0 511.987 4.692 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000064789806 554516274 /nfs/dbraw/zinc/51/62/74/554516274.db2.gz PAIHBBXUVJPMHQ-UHFFFAOYSA-N 0 0 507.637 4.815 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000064789807 554516204 /nfs/dbraw/zinc/51/62/04/554516204.db2.gz VRVZHNDGCDKWCI-UHFFFAOYSA-N 0 0 511.600 4.646 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000064789809 554516270 /nfs/dbraw/zinc/51/62/70/554516270.db2.gz OBTRXJIFBSPFNV-UHFFFAOYSA-N 0 0 507.637 4.815 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000064789811 554516207 /nfs/dbraw/zinc/51/62/07/554516207.db2.gz STOAJFXVWSDVEB-UHFFFAOYSA-N 0 0 511.600 4.646 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000064789812 554516180 /nfs/dbraw/zinc/51/61/80/554516180.db2.gz URDRFQHKSCGPHW-UHFFFAOYSA-N 0 0 507.637 4.815 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000064789814 554516293 /nfs/dbraw/zinc/51/62/93/554516293.db2.gz AGTPPUOKDLXHTO-UHFFFAOYSA-N 0 0 511.600 4.646 50 0 KJAARN COc1cccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000064789816 554516257 /nfs/dbraw/zinc/51/62/57/554516257.db2.gz CJKNNDXOEMSTKB-UHFFFAOYSA-N 0 0 523.636 4.515 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000064789820 554516279 /nfs/dbraw/zinc/51/62/79/554516279.db2.gz JJBCWZIIQQSPES-UHFFFAOYSA-N 0 0 511.987 4.692 50 0 KJAARN O=C(c1ccc(F)cc1)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000064789821 554516192 /nfs/dbraw/zinc/51/61/92/554516192.db2.gz GCBGBHOIMWQREL-UHFFFAOYSA-N 0 0 515.950 4.522 50 0 KJAARN Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000064789822 554516252 /nfs/dbraw/zinc/51/62/52/554516252.db2.gz KOSOWOQKXZCJLH-UHFFFAOYSA-N 0 0 511.987 4.692 50 0 KJAARN O=C(c1ccccc1F)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000064789824 554516184 /nfs/dbraw/zinc/51/61/84/554516184.db2.gz CJJUAUITTKCQLB-UHFFFAOYSA-N 0 0 515.950 4.522 50 0 KJAARN Cc1cccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000064789825 554516233 /nfs/dbraw/zinc/51/62/33/554516233.db2.gz WNYQCHRVOQDXCH-UHFFFAOYSA-N 0 0 511.987 4.692 50 0 KJAARN O=C(c1cccc(F)c1)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000064789827 554516302 /nfs/dbraw/zinc/51/63/02/554516302.db2.gz HTFRRBMUDXXOLI-UHFFFAOYSA-N 0 0 515.950 4.522 50 0 KJAARN CCOc1ccc(NC(=O)CCc2c(C)n(Cc3ccccc3)c3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000064792362 554516266 /nfs/dbraw/zinc/51/62/66/554516266.db2.gz PJIIPNSVFAHUTG-UHFFFAOYSA-N 0 0 507.594 4.885 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cccc(C)c2C)cc1 ZINC000064815021 554516534 /nfs/dbraw/zinc/51/65/34/554516534.db2.gz HWYOLTZQGBXGMR-NDEPHWFRSA-N 0 0 500.624 4.973 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cccc(C)c2C)cc1 ZINC000064815023 554516549 /nfs/dbraw/zinc/51/65/49/554516549.db2.gz HWYOLTZQGBXGMR-MUUNZHRXSA-N 0 0 500.624 4.973 50 0 KJAARN CCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064815024 554516509 /nfs/dbraw/zinc/51/65/09/554516509.db2.gz UFTGDQBBVCBSDD-NDEPHWFRSA-N 0 0 500.624 4.918 50 0 KJAARN CCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064815026 554516499 /nfs/dbraw/zinc/51/64/99/554516499.db2.gz UFTGDQBBVCBSDD-MUUNZHRXSA-N 0 0 500.624 4.918 50 0 KJAARN CCc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000064815028 554516487 /nfs/dbraw/zinc/51/64/87/554516487.db2.gz IYTKNNZDZXOGSK-NDEPHWFRSA-N 0 0 500.624 4.918 50 0 KJAARN CCc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000064815030 554516468 /nfs/dbraw/zinc/51/64/68/554516468.db2.gz IYTKNNZDZXOGSK-MUUNZHRXSA-N 0 0 500.624 4.918 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000064815043 554516480 /nfs/dbraw/zinc/51/64/80/554516480.db2.gz HXSBFERWDITRSN-NDEPHWFRSA-N 0 0 500.624 4.660 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000064815045 554516536 /nfs/dbraw/zinc/51/65/36/554516536.db2.gz HXSBFERWDITRSN-MUUNZHRXSA-N 0 0 500.624 4.660 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cc(C)ccc2C)cc1 ZINC000064815051 554516526 /nfs/dbraw/zinc/51/65/26/554516526.db2.gz CFSMYPHGITUKKJ-NDEPHWFRSA-N 0 0 500.624 4.973 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cc(C)ccc2C)cc1 ZINC000064815053 554516483 /nfs/dbraw/zinc/51/64/83/554516483.db2.gz CFSMYPHGITUKKJ-MUUNZHRXSA-N 0 0 500.624 4.973 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2ccc(C)cc2C)cc1 ZINC000064815055 554516546 /nfs/dbraw/zinc/51/65/46/554516546.db2.gz QEKLDUOYBUVLHH-NDEPHWFRSA-N 0 0 500.624 4.973 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2ccc(C)cc2C)cc1 ZINC000064815057 554516507 /nfs/dbraw/zinc/51/65/07/554516507.db2.gz QEKLDUOYBUVLHH-MUUNZHRXSA-N 0 0 500.624 4.973 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000064815059 554516496 /nfs/dbraw/zinc/51/64/96/554516496.db2.gz ZNYYIZVDPNJBPG-NDEPHWFRSA-N 0 0 500.624 4.973 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000064815061 554516773 /nfs/dbraw/zinc/51/67/73/554516773.db2.gz ZNYYIZVDPNJBPG-MUUNZHRXSA-N 0 0 500.624 4.973 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2cccc(C)c2)cc1 ZINC000064815063 554516680 /nfs/dbraw/zinc/51/66/80/554516680.db2.gz LXCISTXGVORUPP-NDEPHWFRSA-N 0 0 500.624 4.660 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2cccc(C)c2)cc1 ZINC000064815065 554516777 /nfs/dbraw/zinc/51/67/77/554516777.db2.gz LXCISTXGVORUPP-MUUNZHRXSA-N 0 0 500.624 4.660 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000064815067 554516700 /nfs/dbraw/zinc/51/67/00/554516700.db2.gz YIJSXBOSVGGMRK-NDEPHWFRSA-N 0 0 500.624 4.973 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000064815069 554516723 /nfs/dbraw/zinc/51/67/23/554516723.db2.gz YIJSXBOSVGGMRK-MUUNZHRXSA-N 0 0 500.624 4.973 50 0 KJAARN CCc1cccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NCc2ccc(OC)cc2)c1 ZINC000064815071 554516740 /nfs/dbraw/zinc/51/67/40/554516740.db2.gz PUIUAEKVPWSBLD-NDEPHWFRSA-N 0 0 500.624 4.918 50 0 KJAARN CCc1cccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccc(OC)cc2)c1 ZINC000064815073 554516748 /nfs/dbraw/zinc/51/67/48/554516748.db2.gz PUIUAEKVPWSBLD-MUUNZHRXSA-N 0 0 500.624 4.918 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2ccccc2C)cc1 ZINC000064815094 554516763 /nfs/dbraw/zinc/51/67/63/554516763.db2.gz WTVORUOVSLNIRH-NDEPHWFRSA-N 0 0 500.624 4.660 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2Cc2ccccc2C)cc1 ZINC000064815096 554516736 /nfs/dbraw/zinc/51/67/36/554516736.db2.gz WTVORUOVSLNIRH-MUUNZHRXSA-N 0 0 500.624 4.660 50 0 KJAARN COc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NCc2cccc(C)c2)cc1 ZINC000064815217 554516976 /nfs/dbraw/zinc/51/69/76/554516976.db2.gz ZYVBLRTXZTUEFF-NDEPHWFRSA-N 0 0 500.624 4.660 50 0 KJAARN COc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2cccc(C)c2)cc1 ZINC000064815219 554516941 /nfs/dbraw/zinc/51/69/41/554516941.db2.gz ZYVBLRTXZTUEFF-MUUNZHRXSA-N 0 0 500.624 4.660 50 0 KJAARN COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NCc2cccc(C)c2)c1 ZINC000064815261 554516968 /nfs/dbraw/zinc/51/69/68/554516968.db2.gz RGIJFGCIBFEEFJ-NDEPHWFRSA-N 0 0 500.624 4.660 50 0 KJAARN COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2cccc(C)c2)c1 ZINC000064815263 554516966 /nfs/dbraw/zinc/51/69/66/554516966.db2.gz RGIJFGCIBFEEFJ-MUUNZHRXSA-N 0 0 500.624 4.660 50 0 KJAARN COc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000064815478 554517160 /nfs/dbraw/zinc/51/71/60/554517160.db2.gz IQNSJVYSDOLSJM-NDEPHWFRSA-N 0 0 500.624 4.660 50 0 KJAARN COc1ccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000064815481 554517191 /nfs/dbraw/zinc/51/71/91/554517191.db2.gz IQNSJVYSDOLSJM-MUUNZHRXSA-N 0 0 500.624 4.660 50 0 KJAARN COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000064815522 554517143 /nfs/dbraw/zinc/51/71/43/554517143.db2.gz OCARFRFZVUTEIN-NDEPHWFRSA-N 0 0 500.624 4.660 50 0 KJAARN COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000064815524 554517209 /nfs/dbraw/zinc/51/72/09/554517209.db2.gz OCARFRFZVUTEIN-MUUNZHRXSA-N 0 0 500.624 4.660 50 0 KJAARN CC(C)(C)NC(=O)[C@@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1cccc(Br)c1 ZINC000064815957 554517197 /nfs/dbraw/zinc/51/71/97/554517197.db2.gz YYQSBYRZLYRLBE-HSZRJFAPSA-N 0 0 501.450 4.704 50 0 KJAARN CC(C)(C)NC(=O)[C@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1cccc(Br)c1 ZINC000064815959 554517402 /nfs/dbraw/zinc/51/74/02/554517402.db2.gz YYQSBYRZLYRLBE-QHCPKHFHSA-N 0 0 501.450 4.704 50 0 KJAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2cccc(SC)c2)cc1 ZINC000064816014 554517450 /nfs/dbraw/zinc/51/74/50/554517450.db2.gz YFBNSJWYTLIULJ-HHHXNRCGSA-N 0 0 502.596 4.609 50 0 KJAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2cccc(SC)c2)cc1 ZINC000064816015 554517474 /nfs/dbraw/zinc/51/74/74/554517474.db2.gz YFBNSJWYTLIULJ-MHZLTWQESA-N 0 0 502.596 4.609 50 0 KJAARN COc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2cccc(C)c2)cc1Cl ZINC000064816094 554517453 /nfs/dbraw/zinc/51/74/53/554517453.db2.gz IEUMLLZKIBZSBI-MHZLTWQESA-N 0 0 504.974 4.849 50 0 KJAARN COc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2cccc(C)c2)cc1Cl ZINC000064816095 554517429 /nfs/dbraw/zinc/51/74/29/554517429.db2.gz IEUMLLZKIBZSBI-HHHXNRCGSA-N 0 0 504.974 4.849 50 0 KJAARN COc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1Cl ZINC000064816186 554517410 /nfs/dbraw/zinc/51/74/10/554517410.db2.gz JDSVKRKHWDOLNT-MHZLTWQESA-N 0 0 504.974 4.849 50 0 KJAARN COc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)cc1Cl ZINC000064816187 554517441 /nfs/dbraw/zinc/51/74/41/554517441.db2.gz JDSVKRKHWDOLNT-HHHXNRCGSA-N 0 0 504.974 4.849 50 0 KJAARN Cc1noc(C)c1CCNC(=O)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000064816754 554517417 /nfs/dbraw/zinc/51/74/17/554517417.db2.gz LLONEQVHITXNAC-UHFFFAOYSA-N 0 0 503.990 4.718 50 0 KJAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2=O)cc1 ZINC000064838549 554517683 /nfs/dbraw/zinc/51/76/83/554517683.db2.gz LHDBETPSOBUORS-UHFFFAOYSA-N 0 0 512.937 4.917 50 0 KJAARN Cc1cc(C)c(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Br)cc3)c2=O)c(C)c1 ZINC000064838754 554518010 /nfs/dbraw/zinc/51/80/10/554518010.db2.gz VTQMINGIODQEDN-UHFFFAOYSA-N 0 0 517.445 4.624 50 0 KJAARN COc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(CC(C)C)cc3)c2=O)cc1Cl ZINC000064838790 554518029 /nfs/dbraw/zinc/51/80/29/554518029.db2.gz PMQCEVPVEBURPQ-UHFFFAOYSA-N 0 0 517.047 4.797 50 0 KJAARN O=C1c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccc(C(F)(F)F)cc3)ccc2N(Cc2ccccc2)C1=O ZINC000064858394 554518503 /nfs/dbraw/zinc/51/85/03/554518503.db2.gz SNBVQFYPQBMLQY-FQEVSTJZSA-N 0 0 544.551 4.667 50 0 in-vitro KJAARN COc1ccc(-c2noc(-c3cn(Cc4ccc(NC(=O)NCc5ccccc5)cc4)cn3)n2)cc1OC ZINC000064860252 554519585 /nfs/dbraw/zinc/51/95/85/554519585.db2.gz MENXIRYXXFURCS-UHFFFAOYSA-N 0 0 510.554 4.987 50 0 KJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2)c1C ZINC000064867170 554519516 /nfs/dbraw/zinc/51/95/16/554519516.db2.gz OEXPBXHUDMCGSK-UHFFFAOYSA-N 0 0 516.063 4.741 50 0 KJAARN CCOC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(Br)c(C)c2)c2cc(C)c(C)cc2N1 ZINC000064869378 554519572 /nfs/dbraw/zinc/51/95/72/554519572.db2.gz VYDVITPSNYSGLO-UHFFFAOYSA-N 0 0 500.393 4.609 50 0 KJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)=Nc2cc(C)c(C)cc2N1 ZINC000064869991 554519553 /nfs/dbraw/zinc/51/95/53/554519553.db2.gz BFVHPMPAJUUJEX-UHFFFAOYSA-N 0 0 513.616 4.994 50 0 KJAARN CCOc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccccc1OC ZINC000064892630 554519767 /nfs/dbraw/zinc/51/97/67/554519767.db2.gz PWVMIJQIJWSLTA-NDEPHWFRSA-N 0 0 503.624 4.841 50 0 KJAARN CCOc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccccc1OC ZINC000064892632 554519761 /nfs/dbraw/zinc/51/97/61/554519761.db2.gz PWVMIJQIJWSLTA-MUUNZHRXSA-N 0 0 503.624 4.841 50 0 KJAARN CCOc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000064892633 554519759 /nfs/dbraw/zinc/51/97/59/554519759.db2.gz AWCFWIPJAFKONA-NDEPHWFRSA-N 0 0 503.624 4.841 50 0 KJAARN CCOc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000064892635 554519781 /nfs/dbraw/zinc/51/97/81/554519781.db2.gz AWCFWIPJAFKONA-MUUNZHRXSA-N 0 0 503.624 4.841 50 0 KJAARN COc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccc(F)cc2)c(OC)c1 ZINC000064892736 554519765 /nfs/dbraw/zinc/51/97/65/554519765.db2.gz WRSYVWHPQZYVBP-HHHXNRCGSA-N 0 0 507.587 4.590 50 0 KJAARN COc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)c(OC)c1 ZINC000064892738 554519771 /nfs/dbraw/zinc/51/97/71/554519771.db2.gz WRSYVWHPQZYVBP-MHZLTWQESA-N 0 0 507.587 4.590 50 0 KJAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000064928193 554519910 /nfs/dbraw/zinc/51/99/10/554519910.db2.gz OABDQOOZRCYFAW-FNZWTVRRSA-N 0 0 505.640 4.591 50 0 KJAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000064928194 554519953 /nfs/dbraw/zinc/51/99/53/554519953.db2.gz OABDQOOZRCYFAW-RXFWQSSRSA-N 0 0 505.640 4.591 50 0 KJAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NC1CCCCCC1 ZINC000064928213 554519916 /nfs/dbraw/zinc/51/99/16/554519916.db2.gz YPCJRNBRWVUJJH-HSZRJFAPSA-N 0 0 505.478 4.966 50 0 KJAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NC1CCCCCC1 ZINC000064928214 554519994 /nfs/dbraw/zinc/51/99/94/554519994.db2.gz YPCJRNBRWVUJJH-QHCPKHFHSA-N 0 0 505.478 4.966 50 0 KJAARN Cc1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000064928219 554519945 /nfs/dbraw/zinc/51/99/45/554519945.db2.gz JTHFQOXTZSOMPS-XMMPIXPASA-N 0 0 513.457 4.752 50 0 KJAARN Cc1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000064928220 554519890 /nfs/dbraw/zinc/51/98/90/554519890.db2.gz JTHFQOXTZSOMPS-DEOSSOPVSA-N 0 0 513.457 4.752 50 0 KJAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(F)cc1 ZINC000064928227 554519906 /nfs/dbraw/zinc/51/99/06/554519906.db2.gz FAMHDYFAOXJFMB-HSZRJFAPSA-N 0 0 517.420 4.583 50 0 KJAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(F)cc1 ZINC000064928228 554519950 /nfs/dbraw/zinc/51/99/50/554519950.db2.gz FAMHDYFAOXJFMB-QHCPKHFHSA-N 0 0 517.420 4.583 50 0 KJAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NCc1ccccc1F ZINC000064928239 554520201 /nfs/dbraw/zinc/52/02/01/554520201.db2.gz ASFHWIPLRPRHNW-HSZRJFAPSA-N 0 0 517.420 4.583 50 0 KJAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NCc1ccccc1F ZINC000064928240 554520190 /nfs/dbraw/zinc/52/01/90/554520190.db2.gz ASFHWIPLRPRHNW-QHCPKHFHSA-N 0 0 517.420 4.583 50 0 KJAARN Cc1ccccc1CNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000064928245 554520200 /nfs/dbraw/zinc/52/02/00/554520200.db2.gz FMNXHQUYUJYTFM-XMMPIXPASA-N 0 0 513.457 4.752 50 0 KJAARN Cc1ccccc1CNC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000064928246 554520208 /nfs/dbraw/zinc/52/02/08/554520208.db2.gz FMNXHQUYUJYTFM-DEOSSOPVSA-N 0 0 513.457 4.752 50 0 KJAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NCc1cccc(F)c1 ZINC000064928247 554520195 /nfs/dbraw/zinc/52/01/95/554520195.db2.gz VATZUXRTHLAAFU-HSZRJFAPSA-N 0 0 517.420 4.583 50 0 KJAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NCc1cccc(F)c1 ZINC000064928248 554520225 /nfs/dbraw/zinc/52/02/25/554520225.db2.gz VATZUXRTHLAAFU-QHCPKHFHSA-N 0 0 517.420 4.583 50 0 KJAARN CCc1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2cc(C)ccc2NC(C)=O)cc1 ZINC000064928269 554520376 /nfs/dbraw/zinc/52/03/76/554520376.db2.gz NUGHCFROIHQCHR-HHHXNRCGSA-N 0 0 519.667 4.510 50 0 KJAARN CCc1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2cc(C)ccc2NC(C)=O)cc1 ZINC000064928270 554520410 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ZINC000065301217 554525935 /nfs/dbraw/zinc/52/59/35/554525935.db2.gz OUESEYVBUQWMFO-UHFFFAOYSA-N 0 0 535.714 4.803 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N(CC)CC)CC2)cc1 ZINC000065301341 554525973 /nfs/dbraw/zinc/52/59/73/554525973.db2.gz RQYIPPKUYLSMCZ-UHFFFAOYSA-N 0 0 523.659 4.514 50 0 KJAARN CCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000065301365 554526239 /nfs/dbraw/zinc/52/62/39/554526239.db2.gz VSGMLLYSQZJZRN-UHFFFAOYSA-N 0 0 516.067 4.999 50 0 KJAARN CCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000065301373 554526242 /nfs/dbraw/zinc/52/62/42/554526242.db2.gz QGVBLVMQJCNJMI-UHFFFAOYSA-N 0 0 516.067 4.999 50 0 KJAARN CCn1nc(C)c2nc(SCC(=O)NCCC3=CCCCC3)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000065321347 554526322 /nfs/dbraw/zinc/52/63/22/554526322.db2.gz IXZSTGSZPLFRHS-UHFFFAOYSA-N 0 0 500.068 4.722 50 0 KJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OCC)c(OC)c5)oc4C)ccn3n2)cc1 ZINC000065331054 554526671 /nfs/dbraw/zinc/52/66/71/554526671.db2.gz CVASBMMSWZHFQA-UHFFFAOYSA-N 0 0 500.555 4.981 50 0 KJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(OC)c(OC)c(OC)c5)oc4C)ccn3n2)cc1 ZINC000065331055 554526599 /nfs/dbraw/zinc/52/65/99/554526599.db2.gz NTKTWODSXUOWNW-UHFFFAOYSA-N 0 0 516.554 4.599 50 0 KJAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)oc4C)ccn3n2)cc1OC ZINC000065331058 554526553 /nfs/dbraw/zinc/52/65/53/554526553.db2.gz YEDJGZLNUUYKBV-UHFFFAOYSA-N 0 0 500.555 4.979 50 0 KJAARN COc1cc(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)cc(OC)c1OC ZINC000065331062 554526622 /nfs/dbraw/zinc/52/66/22/554526622.db2.gz JVEQHWLCPXTEDF-UHFFFAOYSA-N 0 0 500.555 4.817 50 0 KJAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(OC)c(OC)c(OC)c5)oc4C)ccn3n2)cc1 ZINC000065331064 554526668 /nfs/dbraw/zinc/52/66/68/554526668.db2.gz MXEOHSNDUGAKGR-UHFFFAOYSA-N 0 0 500.555 4.763 50 0 KJAARN COc1cc(CCC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000065331066 554526603 /nfs/dbraw/zinc/52/66/03/554526603.db2.gz NPTLXQCZVRRLKJ-UHFFFAOYSA-N 0 0 509.002 4.818 50 0 KJAARN CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)C1=O ZINC000065331077 554526547 /nfs/dbraw/zinc/52/65/47/554526547.db2.gz RQCPRVWFKBMFLV-RUZDIDTESA-N 0 0 518.013 4.672 50 0 KJAARN CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)C1=O ZINC000065331078 554526573 /nfs/dbraw/zinc/52/65/73/554526573.db2.gz RQCPRVWFKBMFLV-VWLOTQADSA-N 0 0 518.013 4.672 50 0 KJAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CN4C(=O)COc5ccc(C(C)(C)C)cc54)ccc32)c1 ZINC000065331079 554526861 /nfs/dbraw/zinc/52/68/61/554526861.db2.gz DMHDLUPJRGMDMD-UHFFFAOYSA-N 0 0 511.622 4.537 50 0 KJAARN O=C(NCc1ccccc1Cl)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000065502053 554526901 /nfs/dbraw/zinc/52/69/01/554526901.db2.gz OAMHKCUJVAZNIK-UHFFFAOYSA-N 0 0 511.022 4.832 50 0 KJAARN C[C@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000065502152 554526914 /nfs/dbraw/zinc/52/69/14/554526914.db2.gz SPBZJASLSGATPZ-KRWDZBQOSA-N 0 0 508.594 4.878 50 0 KJAARN C[C@@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000065502159 554526828 /nfs/dbraw/zinc/52/68/28/554526828.db2.gz SPBZJASLSGATPZ-QGZVFWFLSA-N 0 0 508.594 4.878 50 0 KJAARN Cc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccc(F)cc3)CC2)cc1C ZINC000065532189 554526874 /nfs/dbraw/zinc/52/68/74/554526874.db2.gz QLLWKWGDANFWBN-UHFFFAOYSA-N 0 0 504.631 4.795 50 0 KJAARN O=C(NCCCc1ccccc1)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000065532192 554526818 /nfs/dbraw/zinc/52/68/18/554526818.db2.gz SNFNISDZYBKGLO-UHFFFAOYSA-N 0 0 504.631 4.611 50 0 KJAARN O=C(NCc1cccc(Cl)c1)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000065532196 554526853 /nfs/dbraw/zinc/52/68/53/554526853.db2.gz VJGORBPSJMTWPJ-UHFFFAOYSA-N 0 0 511.022 4.832 50 0 KJAARN CC[C@@H]([C@H](C)OCc1ccccc1)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O ZINC000065740996 554527319 /nfs/dbraw/zinc/52/73/19/554527319.db2.gz QLRPRKJUMRQTOV-IADCTJSHSA-N 0 0 513.642 4.623 50 0 in-vitro KJAARN COc1cc([C@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccc(Cl)cc4)[C@@H]32)c(OC)c2c1OCO2 ZINC000066091756 554528250 /nfs/dbraw/zinc/52/82/50/554528250.db2.gz WQUMKRWFLNEPMO-RBUKOAKNSA-N 0 0 523.977 4.811 50 0 KJAARN COc1cc([C@@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccc(Cl)cc4)[C@@H]32)c(OC)c2c1OCO2 ZINC000066091757 554528273 /nfs/dbraw/zinc/52/82/73/554528273.db2.gz WQUMKRWFLNEPMO-RTBURBONSA-N 0 0 523.977 4.811 50 0 KJAARN COc1cc([C@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccc(Cl)cc4)[C@H]32)c(OC)c2c1OCO2 ZINC000066091758 554528183 /nfs/dbraw/zinc/52/81/83/554528183.db2.gz WQUMKRWFLNEPMO-OALUTQOASA-N 0 0 523.977 4.811 50 0 KJAARN COc1cc([C@@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccc(Cl)cc4)[C@H]32)c(OC)c2c1OCO2 ZINC000066091759 554528287 /nfs/dbraw/zinc/52/82/87/554528287.db2.gz WQUMKRWFLNEPMO-MOPGFXCFSA-N 0 0 523.977 4.811 50 0 KJAARN Cc1c(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000066123190 554528569 /nfs/dbraw/zinc/52/85/69/554528569.db2.gz OQHMEMOLZHOOGS-UHFFFAOYSA-N 0 0 559.475 4.864 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1 ZINC000066128680 554528836 /nfs/dbraw/zinc/52/88/36/554528836.db2.gz RQONEVHUDMMDFX-UHFFFAOYSA-N 0 0 575.687 4.888 50 0 KJAARN COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc(Br)c1OCc1ccccc1 ZINC000066136414 554529041 /nfs/dbraw/zinc/52/90/41/554529041.db2.gz GWLAUGWIGDBGQF-NRFANRHFSA-N 0 0 531.472 4.902 50 0 KJAARN COc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc(Br)c1OCc1ccccc1 ZINC000066136415 554529036 /nfs/dbraw/zinc/52/90/36/554529036.db2.gz GWLAUGWIGDBGQF-OAQYLSRUSA-N 0 0 531.472 4.902 50 0 KJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 ZINC000066136420 554529197 /nfs/dbraw/zinc/52/91/97/554529197.db2.gz DKYOPQCZOIKEOD-UHFFFAOYSA-N 0 0 530.547 4.714 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2N2CCOCC2)cc1 ZINC000066138745 554529045 /nfs/dbraw/zinc/52/90/45/554529045.db2.gz QSWXZLGEMIQQIT-UHFFFAOYSA-N 0 0 537.972 4.517 50 0 KJAARN Cc1sc2ncnc(N3CCC(C(=O)N(C)CC(=O)Nc4ccc(Br)cc4C)CC3)c2c1C ZINC000066148885 554529464 /nfs/dbraw/zinc/52/94/64/554529464.db2.gz XEDUDKCCGZYRLR-UHFFFAOYSA-N 0 0 530.492 4.693 50 0 KJAARN c1ccc2c(c1)C1=N[C@H]3N=C(NC4=NC(=N[C@H]5N=C(NC2=N1)c1ccccc15)c1ccccc14)c1ccccc13 ZINC000066322672 554529792 /nfs/dbraw/zinc/52/97/92/554529792.db2.gz FPEPDCGCGQAUMV-NLGDKJDOSA-N 0 0 516.568 4.511 50 0 KJAARN CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000067189993 554530308 /nfs/dbraw/zinc/53/03/08/554530308.db2.gz CTBPSFRZUKYHBD-HXUWFJFHSA-N 0 0 511.051 4.997 50 0 KJAARN CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000067189994 554530143 /nfs/dbraw/zinc/53/01/43/554530143.db2.gz CTBPSFRZUKYHBD-FQEVSTJZSA-N 0 0 511.051 4.997 50 0 KJAARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)Nc1ccc(Br)cc1F ZINC000067323241 554530593 /nfs/dbraw/zinc/53/05/93/554530593.db2.gz HQVNNCKQCJJDPG-UHFFFAOYSA-N 0 0 501.143 4.686 50 0 KJAARN Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1ccc(Br)cc1F ZINC000067323243 554530561 /nfs/dbraw/zinc/53/05/61/554530561.db2.gz LTGGTTGABUMKSU-UHFFFAOYSA-N 0 0 501.143 4.686 50 0 KJAARN Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1CC(=O)Nc1ccc(Br)cc1F ZINC000067323264 554530471 /nfs/dbraw/zinc/53/04/71/554530471.db2.gz OJTKCGWRXXEPQR-UHFFFAOYSA-N 0 0 501.143 4.686 50 0 KJAARN C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000067514819 554532809 /nfs/dbraw/zinc/53/28/09/554532809.db2.gz PWRQGTROBCUBKZ-KRWDZBQOSA-N 0 0 509.532 4.907 50 0 KJAARN C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000067514821 554532779 /nfs/dbraw/zinc/53/27/79/554532779.db2.gz PWRQGTROBCUBKZ-QGZVFWFLSA-N 0 0 509.532 4.907 50 0 KJAARN CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc32)CC1 ZINC000068247898 554538724 /nfs/dbraw/zinc/53/87/24/554538724.db2.gz SZBGQDXLNMELTB-UHFFFAOYSA-N 0 0 512.511 4.929 50 0 investigational KJAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccsc3)C2)cc1OC ZINC000069374999 553593249 /nfs/dbraw/zinc/59/32/49/553593249.db2.gz VQWJQFHJKGUSNS-QFIPXVFZSA-N 0 0 508.625 4.729 50 0 KJAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccsc3)C2)cc1OC ZINC000069375004 553593125 /nfs/dbraw/zinc/59/31/25/553593125.db2.gz VQWJQFHJKGUSNS-JOCHJYFZSA-N 0 0 508.625 4.729 50 0 KJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccsc3)=NN2C(=O)CN2CCOCC2)cc1 ZINC000069375135 553593259 /nfs/dbraw/zinc/59/32/59/553593259.db2.gz YPZVCFHDRUDPLT-MHZLTWQESA-N 0 0 511.651 4.919 50 0 KJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccsc3)=NN2C(=O)CN2CCOCC2)cc1 ZINC000069375142 553593255 /nfs/dbraw/zinc/59/32/55/553593255.db2.gz YPZVCFHDRUDPLT-HHHXNRCGSA-N 0 0 511.651 4.919 50 0 KJAARN O=C(c1cccc(CN(CCn2cccn2)Cc2cccc(C(=O)N3CCCCC3)c2)c1)N1CCCCC1 ZINC000069820144 553593557 /nfs/dbraw/zinc/59/35/57/553593557.db2.gz ZNUXHDYVFDNFLF-UHFFFAOYSA-N 0 0 513.686 4.838 50 0 KJAARN Cc1cnn(CCN(Cc2cccc(C(=O)NCC(C)C)c2)Cc2cccc(C(=O)NCC(C)C)c2)c1 ZINC000070011440 553593851 /nfs/dbraw/zinc/59/38/51/553593851.db2.gz BPIGZGBBYNRHQP-UHFFFAOYSA-N 0 0 503.691 4.666 50 0 KJAARN CCOc1ccccc1-c1noc(CN(CCn2cc(C)cn2)Cc2nc(-c3ccccc3OCC)no2)n1 ZINC000070015874 553594049 /nfs/dbraw/zinc/59/40/49/553594049.db2.gz SEKBUBQSDNNBLU-UHFFFAOYSA-N 0 0 529.601 4.791 50 0 KJAARN COc1cc(CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc(OC)c1OC ZINC000070664494 553594386 /nfs/dbraw/zinc/59/43/86/553594386.db2.gz ZNQPELKAXXCDQN-QFIPXVFZSA-N 0 0 564.635 4.501 50 0 biogenic KJAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCCN4CCOCC4)C(=O)N32)cc1 ZINC000070666038 553597758 /nfs/dbraw/zinc/59/77/58/553597758.db2.gz FOWYGNCDARROFK-XDFJSJKPSA-N 0 0 591.712 4.836 50 0 biogenic KJAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCCN4CCOCC4)C(=O)N32)cc1 ZINC000070666039 553597691 /nfs/dbraw/zinc/59/76/91/553597691.db2.gz FOWYGNCDARROFK-CDZUIXILSA-N 0 0 591.712 4.836 50 0 biogenic KJAARN COC(=O)[C@H](CCSC)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070666126 553598295 /nfs/dbraw/zinc/59/82/95/553598295.db2.gz OSYVCJNCFAAWMT-HXINMKBCSA-N 0 0 537.807 4.804 50 0 biogenic KJAARN CCOC(=O)N1CCN(C(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)CC1 ZINC000070666142 553598274 /nfs/dbraw/zinc/59/82/74/553598274.db2.gz GXOSOLHKVMYJQT-RZAQPKAOSA-N 0 0 532.766 4.694 50 0 biogenic KJAARN COC(=O)[C@@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000070666156 553598619 /nfs/dbraw/zinc/59/86/19/553598619.db2.gz TVLARSIRFSSNNO-QYSMHZKQSA-N 0 0 505.740 4.707 50 0 biogenic KJAARN C[C@H](CCC(=O)Nc1ccc2c(c1)OCCO2)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000070666236 553598496 /nfs/dbraw/zinc/59/84/96/553598496.db2.gz LPIRYYBJFSHWMX-IRNSOEFESA-N 0 0 541.729 4.774 50 0 biogenic KJAARN COC(=O)c1ccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)cc1 ZINC000070666326 553598538 /nfs/dbraw/zinc/59/85/38/553598538.db2.gz BMJUCCRDGCHIRL-FUTHKPMZSA-N 0 0 541.729 4.789 50 0 biogenic KJAARN CC(=O)Nc1ccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)cc1 ZINC000070666327 553598528 /nfs/dbraw/zinc/59/85/28/553598528.db2.gz JUCFOMBAZKCWTF-DBUMTQGESA-N 0 0 540.745 4.961 50 0 biogenic KJAARN COc1ccc(CCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1OC ZINC000070669774 553598542 /nfs/dbraw/zinc/59/85/42/553598542.db2.gz YUWGXSXYSGVFTE-QHCPKHFHSA-N 0 0 548.636 4.535 50 0 biogenic KJAARN CC(C)COc1ccccc1NC(=O)[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000070671886 553601341 /nfs/dbraw/zinc/60/13/41/553601341.db2.gz KAYVBPVBAUIMSN-IUSCBXDMSA-N 0 0 501.620 4.905 50 0 biogenic KJAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)c2cc1OC ZINC000070672421 553601935 /nfs/dbraw/zinc/60/19/35/553601935.db2.gz IHNACKDFLXNPGW-SANMLTNESA-N 0 0 591.686 4.652 50 0 biogenic KJAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)c2cc1OC ZINC000070672424 553601985 /nfs/dbraw/zinc/60/19/85/553601985.db2.gz IHNACKDFLXNPGW-AREMUKBSSA-N 0 0 591.686 4.652 50 0 biogenic KJAARN CCS[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(C)=O ZINC000070673370 553603395 /nfs/dbraw/zinc/60/33/95/553603395.db2.gz BLIPVUUPEPRZMG-DOMIEJOPSA-N 0 0 578.639 4.704 50 0 biogenic KJAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1C(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000070680511 553604392 /nfs/dbraw/zinc/60/43/92/553604392.db2.gz WGALZPZENZVWHY-NDEPHWFRSA-N 0 0 536.584 4.679 50 0 biogenic KJAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1C(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000070680551 553604348 /nfs/dbraw/zinc/60/43/48/553604348.db2.gz SGVVUDUNODIUNP-NDEPHWFRSA-N 0 0 550.611 4.987 50 0 biogenic KJAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1C(=O)COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 ZINC000070680650 553604662 /nfs/dbraw/zinc/60/46/62/553604662.db2.gz HQOZIABDJKZPOT-MHZLTWQESA-N 0 0 550.611 4.987 50 0 biogenic KJAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2)CC1 ZINC000070680891 553604660 /nfs/dbraw/zinc/60/46/60/553604660.db2.gz WFTOKLRBARWSBN-SVBPBHIXSA-N 0 0 596.794 4.546 50 0 biogenic KJAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OC[C@H](O)CN3CCOCC3)c2C(=O)O1 ZINC000070680900 553604576 /nfs/dbraw/zinc/60/45/76/553604576.db2.gz KFWCKUDCAUPUIK-ZOMHIWOFSA-N 0 0 551.680 4.819 50 0 KJAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OC[C@@H](O)CN3CCOCC3)c2C(=O)O1 ZINC000070680903 553604629 /nfs/dbraw/zinc/60/46/29/553604629.db2.gz KFWCKUDCAUPUIK-PFPYRSKBSA-N 0 0 551.680 4.819 50 0 KJAARN CC(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(c3ccccc3NC2=O)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000070681026 553604850 /nfs/dbraw/zinc/60/48/50/553604850.db2.gz AUYJNRMFCZKGOK-KWYVSSJISA-N 0 0 506.558 4.676 50 0 biogenic KJAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070681053 553604842 /nfs/dbraw/zinc/60/48/42/553604842.db2.gz FEKAAKIJUOHKPI-KWYVSSJISA-N 0 0 508.574 4.574 50 0 biogenic KJAARN CC(C)c1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000070681056 553604940 /nfs/dbraw/zinc/60/49/40/553604940.db2.gz BYPFRZJREQRPCD-CUNXSJBXSA-N 0 0 564.727 4.628 50 0 biogenic KJAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070681162 553604973 /nfs/dbraw/zinc/60/49/73/553604973.db2.gz WULSXBKHHUWZIW-SVYISMGTSA-N 0 0 522.601 4.965 50 0 biogenic KJAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000070686664 553605560 /nfs/dbraw/zinc/60/55/60/553605560.db2.gz NOJZRBHTPMQHAI-NSOVKSMOSA-N 0 0 578.754 4.839 50 0 biogenic KJAARN COc1c2c(cc3c1[C@H](c1nnnn1C(c1ccccc1Cl)c1ccccc1Cl)N(C)CC3)OCO2 ZINC000070686678 553605614 /nfs/dbraw/zinc/60/56/14/553605614.db2.gz WNUQNPJMZUDRRZ-HSZRJFAPSA-N 0 0 524.408 4.932 50 0 biogenic KJAARN COc1c2c(cc3c1[C@@H](c1nnnn1C(c1ccccc1Cl)c1ccccc1Cl)N(C)CC3)OCO2 ZINC000070686680 553605661 /nfs/dbraw/zinc/60/56/61/553605661.db2.gz WNUQNPJMZUDRRZ-QHCPKHFHSA-N 0 0 524.408 4.932 50 0 biogenic KJAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)Nc2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000070686815 553605598 /nfs/dbraw/zinc/60/55/98/553605598.db2.gz WPORDPBAJSLOIF-DQEYMECFSA-N 0 0 576.804 4.774 50 0 biogenic KJAARN COc1cc(COc2ccc3c(C)c(CC(=O)N4CC[C@@]5(O)CCCC[C@H]5C4)c(=O)oc3c2C)cc(OC)c1OC ZINC000070687021 553605915 /nfs/dbraw/zinc/60/59/15/553605915.db2.gz GKONWEVJMOMYAD-ICACTRECSA-N 0 0 565.663 4.711 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000070687070 553606117 /nfs/dbraw/zinc/60/61/17/553606117.db2.gz CQHMASGURXLUGM-GHPJVDHGSA-N 0 0 592.781 4.769 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000070687073 553606186 /nfs/dbraw/zinc/60/61/86/553606186.db2.gz CQHMASGURXLUGM-MHZHKKNFSA-N 0 0 592.781 4.769 50 0 biogenic KJAARN CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000070687362 553606676 /nfs/dbraw/zinc/60/66/76/553606676.db2.gz DTWYSRGYILSCBZ-NSOVKSMOSA-N 0 0 578.754 4.703 50 0 biogenic KJAARN CC(C)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000070687403 553606748 /nfs/dbraw/zinc/60/67/48/553606748.db2.gz BGDGHNJCAWPRPV-NDEPHWFRSA-N 0 0 589.737 4.721 50 0 biogenic KJAARN Cc1c2ccc(OCC(=O)NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000070687541 553606992 /nfs/dbraw/zinc/60/69/92/553606992.db2.gz AFULRSYXYZZCLS-JKFCTSDTSA-N 0 0 574.718 4.901 50 0 biogenic KJAARN COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)c1 ZINC000070687669 553607322 /nfs/dbraw/zinc/60/73/22/553607322.db2.gz GCUHDKILARNGKJ-UUQNIDNHSA-N 0 0 527.580 4.946 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCCC(c2ccccc2)c2ccccc2)C(=O)[C@]31C ZINC000070691519 553608100 /nfs/dbraw/zinc/60/81/00/553608100.db2.gz GNLXDEDSHXHZGY-VTLMBFNKSA-N 0 0 550.659 4.939 50 0 biogenic KJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)Nc4cc(OC)ccc4OC)cc2)C(=O)[C@]31C ZINC000070691544 553608088 /nfs/dbraw/zinc/60/80/88/553608088.db2.gz LWXDMLUYFYSLKP-PMERELPUSA-N 0 0 540.576 4.686 50 0 biogenic KJAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C(C)C)CC1 ZINC000070691644 553608093 /nfs/dbraw/zinc/60/80/93/553608093.db2.gz WPORDPBAJSLOIF-LOSJGSFVSA-N 0 0 576.804 4.774 50 0 biogenic KJAARN CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000070691692 553608265 /nfs/dbraw/zinc/60/82/65/553608265.db2.gz ILDVRPJGJZELJL-KMRXNPHXSA-N 0 0 589.737 4.548 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccc(OC)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070692156 553609824 /nfs/dbraw/zinc/60/98/24/553609824.db2.gz WUHVFMXNNPAYGP-BNHRFMORSA-N 0 0 539.632 4.816 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(Cc3ccc(OC)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070692157 553609868 /nfs/dbraw/zinc/60/98/68/553609868.db2.gz WUHVFMXNNPAYGP-QNLPTKCRSA-N 0 0 539.632 4.816 50 0 biogenic KJAARN CC(=O)N[C@@H]1[C@@H](OC(=O)CC[C@H](C)COC(C)=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692244 553610308 /nfs/dbraw/zinc/61/03/08/553610308.db2.gz RSPHIQBUGAPVJQ-HVJAXGGFSA-N 0 0 547.733 4.967 50 0 biogenic KJAARN CC(=O)N[C@H]1[C@@H](OC(=O)CC[C@H](C)COC(C)=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692245 553610363 /nfs/dbraw/zinc/61/03/63/553610363.db2.gz RSPHIQBUGAPVJQ-DGQIIOJYSA-N 0 0 547.733 4.967 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCc3ccccc3F)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070692341 553611198 /nfs/dbraw/zinc/61/11/98/553611198.db2.gz DUHCEVXPXYQUDV-UDNBHOFDSA-N 0 0 541.623 4.989 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCc3ccccc3F)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070692342 553611132 /nfs/dbraw/zinc/61/11/32/553611132.db2.gz DUHCEVXPXYQUDV-HEIROHQZSA-N 0 0 541.623 4.989 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccccc3OC)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070697193 553612454 /nfs/dbraw/zinc/61/24/54/553612454.db2.gz SVVAMSAIYJNAJN-UDNBHOFDSA-N 0 0 539.632 4.816 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(Cc3ccccc3OC)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070697197 553612415 /nfs/dbraw/zinc/61/24/15/553612415.db2.gz SVVAMSAIYJNAJN-HEIROHQZSA-N 0 0 539.632 4.816 50 0 biogenic KJAARN CC(=O)N[C@@H]1[C@@H](OC(=O)CC[C@H](C)COC(C)=O)C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070697308 553612478 /nfs/dbraw/zinc/61/24/78/553612478.db2.gz IDYBNOJYWRQMQM-IVMZWOLXSA-N 0 0 545.717 4.887 50 0 biogenic KJAARN CC(=O)N[C@H]1[C@@H](OC(=O)CC[C@H](C)COC(C)=O)C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697313 553612500 /nfs/dbraw/zinc/61/25/00/553612500.db2.gz IDYBNOJYWRQMQM-LEWCBQOOSA-N 0 0 545.717 4.887 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCc3ccc(F)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070697895 553613558 /nfs/dbraw/zinc/61/35/58/553613558.db2.gz HQIOLZKCHPUREY-BNHRFMORSA-N 0 0 541.623 4.989 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCc3ccc(F)cc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070697896 553613617 /nfs/dbraw/zinc/61/36/17/553613617.db2.gz HQIOLZKCHPUREY-QNLPTKCRSA-N 0 0 541.623 4.989 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCc3cccc(F)c3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070698375 553614186 /nfs/dbraw/zinc/61/41/86/553614186.db2.gz DAIVKTXWBOLJFS-BNHRFMORSA-N 0 0 541.623 4.989 50 0 biogenic KJAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCc3cccc(F)c3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070698380 553614145 /nfs/dbraw/zinc/61/41/45/553614145.db2.gz DAIVKTXWBOLJFS-QNLPTKCRSA-N 0 0 541.623 4.989 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000070699080 553615617 /nfs/dbraw/zinc/61/56/17/553615617.db2.gz NMODYODRCDDUFF-TWOBWXESSA-N 0 0 534.660 4.794 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000070699083 553615593 /nfs/dbraw/zinc/61/55/93/553615593.db2.gz NMODYODRCDDUFF-LQYFPWRPSA-N 0 0 534.660 4.794 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000070699085 553615581 /nfs/dbraw/zinc/61/55/81/553615581.db2.gz NMODYODRCDDUFF-ZRMCBUBKSA-N 0 0 534.660 4.794 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000070699088 553615531 /nfs/dbraw/zinc/61/55/31/553615531.db2.gz NMODYODRCDDUFF-YSWUUNNPSA-N 0 0 534.660 4.794 50 0 biogenic KJAARN O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(F)cc3)N2C1=O ZINC000070699172 553615636 /nfs/dbraw/zinc/61/56/36/553615636.db2.gz VEFYYPXFJHYIHC-GHKAFPQUSA-N 0 0 538.579 4.699 50 0 biogenic KJAARN O=C(NC[C@@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(F)cc3)N2C1=O ZINC000070699175 553615923 /nfs/dbraw/zinc/61/59/23/553615923.db2.gz VEFYYPXFJHYIHC-IYKJZBSOSA-N 0 0 538.579 4.699 50 0 biogenic KJAARN O=C(NC[C@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(F)cc3)N2C1=O ZINC000070699178 553615944 /nfs/dbraw/zinc/61/59/44/553615944.db2.gz VEFYYPXFJHYIHC-PBZMZIQDSA-N 0 0 538.579 4.699 50 0 biogenic KJAARN O=C(NC[C@H]1CCCO1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(F)cc3)N2C1=O ZINC000070699179 553615946 /nfs/dbraw/zinc/61/59/46/553615946.db2.gz VEFYYPXFJHYIHC-NBYOPXRUSA-N 0 0 538.579 4.699 50 0 biogenic KJAARN COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070699198 553615875 /nfs/dbraw/zinc/61/58/75/553615875.db2.gz VLJHPKVUKWDOLM-BAAZAXTHSA-N 0 0 528.008 4.672 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N3CCN(/C=C/c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070699332 553615882 /nfs/dbraw/zinc/61/58/82/553615882.db2.gz BDXBVMGZWRXZNU-RTHBMQBDSA-N 0 0 555.675 4.656 50 0 biogenic KJAARN COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(Br)c3)C2=O)cc1OC ZINC000070699481 553616157 /nfs/dbraw/zinc/61/61/57/553616157.db2.gz YGELOVQYWCYWHC-OUTSHDOLSA-N 0 0 574.475 4.875 50 0 biogenic KJAARN COc1ccc(CCN2CC(=O)N3[C@H](c4cccc(Br)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1OC ZINC000070699484 553616235 /nfs/dbraw/zinc/61/62/35/553616235.db2.gz YGELOVQYWCYWHC-PWUYWRBVSA-N 0 0 574.475 4.875 50 0 biogenic KJAARN COc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@]12C(=O)Nc1ccccc12 ZINC000070699514 553616567 /nfs/dbraw/zinc/61/65/67/553616567.db2.gz PPGNSWFEOPSWDX-SFYJVUIZSA-N 0 0 528.008 4.672 50 0 biogenic KJAARN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000070699623 553616497 /nfs/dbraw/zinc/61/64/97/553616497.db2.gz ODIIDJFISNHRAN-ZNXVIZGJSA-N 0 0 528.008 4.753 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCC1=CCCCC1 ZINC000070699743 553616915 /nfs/dbraw/zinc/61/69/15/553616915.db2.gz XVJPMPHGNKHRLK-YCVJPRETSA-N 0 0 524.665 4.785 50 0 biogenic KJAARN COc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@]12C(=O)Nc1ccccc12 ZINC000070699782 553617083 /nfs/dbraw/zinc/61/70/83/553617083.db2.gz NSGMPQZQRZASNL-SFYJVUIZSA-N 0 0 528.008 4.672 50 0 biogenic KJAARN COc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070699922 553617386 /nfs/dbraw/zinc/61/73/86/553617386.db2.gz RAYFYARXTQAAMK-BAAZAXTHSA-N 0 0 528.008 4.672 50 0 biogenic KJAARN CCc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000070699975 553617441 /nfs/dbraw/zinc/61/74/41/553617441.db2.gz FVFPJCVRJPXIEN-NSOVKSMOSA-N 0 0 576.738 4.553 50 0 biogenic KJAARN CCc1ccc([C@@H]2CN3C(=O)CN(Cc4cc(OC)c(OC)c(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000070700130 553617629 /nfs/dbraw/zinc/61/76/29/553617629.db2.gz WNGVOVVMNRIJOX-RBBQXQBVSA-N 0 0 553.659 4.988 50 0 biogenic KJAARN CCc1ccc([C@H]2CN3C(=O)CN(Cc4cc(OC)c(OC)c(OC)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000070700133 553617643 /nfs/dbraw/zinc/61/76/43/553617643.db2.gz WNGVOVVMNRIJOX-IANOAQMISA-N 0 0 553.659 4.988 50 0 biogenic KJAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC[C@@H]3CCCO3)C(=O)N21 ZINC000070700174 553618043 /nfs/dbraw/zinc/61/80/43/553618043.db2.gz URTSUOQWJTVIGT-AVBDLTBHSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC[C@@H]3CCCO3)C(=O)N21 ZINC000070700177 553618051 /nfs/dbraw/zinc/61/80/51/553618051.db2.gz URTSUOQWJTVIGT-UZEWVABRSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC[C@H]3CCCO3)C(=O)N21 ZINC000070700179 553617928 /nfs/dbraw/zinc/61/79/28/553617928.db2.gz URTSUOQWJTVIGT-WRFXRRFCSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NC[C@H]3CCCO3)C(=O)N21 ZINC000070700182 553617965 /nfs/dbraw/zinc/61/79/65/553617965.db2.gz URTSUOQWJTVIGT-MSLDTUSLSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O ZINC000070700647 553619157 /nfs/dbraw/zinc/61/91/57/553619157.db2.gz NUIMEVTUDHLKDJ-AHWVRZQESA-N 0 0 528.996 4.680 50 0 biogenic KJAARN COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000070700650 553619175 /nfs/dbraw/zinc/61/91/75/553619175.db2.gz NUIMEVTUDHLKDJ-AZGAKELHSA-N 0 0 528.996 4.680 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N3CCN(c4cccc(Cl)c4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070700671 553619109 /nfs/dbraw/zinc/61/91/09/553619109.db2.gz NDJPKOGWGVGZTF-VWLOTQADSA-N 0 0 564.082 4.843 50 0 biogenic KJAARN COc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000070700688 553619055 /nfs/dbraw/zinc/61/90/55/553619055.db2.gz NPRFOQNNBLJIAN-SFYJVUIZSA-N 0 0 528.008 4.672 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1 ZINC000070700693 553619142 /nfs/dbraw/zinc/61/91/42/553619142.db2.gz NOYDNWGZLGUIRX-TWOBWXESSA-N 0 0 534.660 4.528 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1 ZINC000070700695 553619114 /nfs/dbraw/zinc/61/91/14/553619114.db2.gz NOYDNWGZLGUIRX-LQYFPWRPSA-N 0 0 534.660 4.528 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1 ZINC000070700697 553619088 /nfs/dbraw/zinc/61/90/88/553619088.db2.gz NOYDNWGZLGUIRX-ZRMCBUBKSA-N 0 0 534.660 4.528 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1 ZINC000070700699 553619120 /nfs/dbraw/zinc/61/91/20/553619120.db2.gz NOYDNWGZLGUIRX-YSWUUNNPSA-N 0 0 534.660 4.528 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccccc1Cl ZINC000070700701 553619137 /nfs/dbraw/zinc/61/91/37/553619137.db2.gz AXOGBZIZMIBXOZ-UNCTUWKVSA-N 0 0 541.051 4.748 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccccc1Cl ZINC000070700703 553619067 /nfs/dbraw/zinc/61/90/67/553619067.db2.gz AXOGBZIZMIBXOZ-NSVAZKTRSA-N 0 0 541.051 4.748 50 0 biogenic KJAARN COC(=O)c1ccccc1NC(=O)N1[C@H](c2cc(OC)ccc2OC)c2[nH]c3ccccc3c2C[C@H]1C(=O)OC ZINC000070700828 553619738 /nfs/dbraw/zinc/61/97/38/553619738.db2.gz IYARIAGSNDUMRV-RPLLCQBOSA-N 0 0 543.576 4.693 50 0 biogenic KJAARN COC(=O)c1ccccc1NC(=O)N1[C@H](C(=O)OC)Cc2c3ccccc3[nH]c2[C@@H]1c1cc(OC)ccc1OC ZINC000070700830 553619678 /nfs/dbraw/zinc/61/96/78/553619678.db2.gz IYARIAGSNDUMRV-IGKIAQTJSA-N 0 0 543.576 4.693 50 0 biogenic KJAARN COc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070700901 553620063 /nfs/dbraw/zinc/62/00/63/553620063.db2.gz YTSIUCGECJKHAA-BAAZAXTHSA-N 0 0 528.008 4.672 50 0 biogenic KJAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@@H]4CCCO4)C(=O)N32)cc1 ZINC000070701006 553620266 /nfs/dbraw/zinc/62/02/66/553620266.db2.gz ABJXLPSZCPAVNW-DGYBNRFQSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@@H]4CCCO4)C(=O)N32)cc1 ZINC000070701008 553620315 /nfs/dbraw/zinc/62/03/15/553620315.db2.gz ABJXLPSZCPAVNW-SSKOMTKWSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)cc1 ZINC000070701009 553620308 /nfs/dbraw/zinc/62/03/08/553620308.db2.gz ABJXLPSZCPAVNW-WTILKEDBSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)cc1 ZINC000070701011 553620205 /nfs/dbraw/zinc/62/02/05/553620205.db2.gz ABJXLPSZCPAVNW-LJQNWDROSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)cc1 ZINC000070701024 553620201 /nfs/dbraw/zinc/62/02/01/553620201.db2.gz JHOZNIPWXXSRIM-MYELJEHHSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)cc1 ZINC000070701027 553620299 /nfs/dbraw/zinc/62/02/99/553620299.db2.gz JHOZNIPWXXSRIM-HTZJHERLSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)cc1 ZINC000070701029 553620320 /nfs/dbraw/zinc/62/03/20/553620320.db2.gz JHOZNIPWXXSRIM-FNHKZSGOSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)cc1 ZINC000070701030 553620285 /nfs/dbraw/zinc/62/02/85/553620285.db2.gz JHOZNIPWXXSRIM-OVTKCHPXSA-N 0 0 534.616 4.868 50 0 biogenic KJAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCn4ccnc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070701056 553620532 /nfs/dbraw/zinc/62/05/32/553620532.db2.gz CGKDLWQKAKURCT-BNHRFMORSA-N 0 0 555.679 4.674 50 0 biogenic KJAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCCn4ccnc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070701058 553620560 /nfs/dbraw/zinc/62/05/60/553620560.db2.gz CGKDLWQKAKURCT-QNLPTKCRSA-N 0 0 555.679 4.674 50 0 biogenic KJAARN COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070701239 553621083 /nfs/dbraw/zinc/62/10/83/553621083.db2.gz UOHDJPJLYDVYTD-BAAZAXTHSA-N 0 0 528.008 4.672 50 0 biogenic KJAARN COc1ccc(C(O)=C2[C@]3(C(=O)Nc4c3cc(C)cc4Cl)N3CCC[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000070701415 553621742 /nfs/dbraw/zinc/62/17/42/553621742.db2.gz XEXABDNAKDLJKS-LQBYHZHOSA-N 0 0 558.034 4.680 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(Cl)cc1 ZINC000070701427 553621702 /nfs/dbraw/zinc/62/17/02/553621702.db2.gz MLVDUYSTMFMLEP-UNCTUWKVSA-N 0 0 541.051 4.748 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(Cl)cc1 ZINC000070701429 553621754 /nfs/dbraw/zinc/62/17/54/553621754.db2.gz MLVDUYSTMFMLEP-NSVAZKTRSA-N 0 0 541.051 4.748 50 0 biogenic KJAARN COc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)c1 ZINC000070701473 553622126 /nfs/dbraw/zinc/62/21/26/553622126.db2.gz GUHKYULSQCJYJE-MZSJJGOWSA-N 0 0 584.676 4.690 50 0 biogenic KJAARN COc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)c1 ZINC000070701476 553622110 /nfs/dbraw/zinc/62/21/10/553622110.db2.gz GUHKYULSQCJYJE-PHDGFQFKSA-N 0 0 584.676 4.690 50 0 biogenic KJAARN COc1ccc(CCNC(=O)COc2cc3c(c(OC)c2)C(=O)O[C@@H](C)CCCC(=O)CCCCC3)cc1OC ZINC000070701492 553622097 /nfs/dbraw/zinc/62/20/97/553622097.db2.gz KWWRUHJDPCAAJZ-NRFANRHFSA-N 0 0 555.668 4.851 50 0 biogenic KJAARN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000070701512 553622226 /nfs/dbraw/zinc/62/22/26/553622226.db2.gz GSZCSHPFOGADSM-VDCPHJTRSA-N 0 0 598.703 4.733 50 0 biogenic KJAARN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1 ZINC000070701514 553622234 /nfs/dbraw/zinc/62/22/34/553622234.db2.gz GSZCSHPFOGADSM-HSRBSRBISA-N 0 0 598.703 4.733 50 0 biogenic KJAARN COc1ccc(CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000070701541 553622223 /nfs/dbraw/zinc/62/22/23/553622223.db2.gz WTKPXYVYKIXQDQ-GSBZAIBZSA-N 0 0 564.686 4.536 50 0 biogenic KJAARN COc1ccc(CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1 ZINC000070701543 553622296 /nfs/dbraw/zinc/62/22/96/553622296.db2.gz WTKPXYVYKIXQDQ-QMOZSOIISA-N 0 0 564.686 4.536 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1 ZINC000070701560 553622277 /nfs/dbraw/zinc/62/22/77/553622277.db2.gz VIJOYHLRAUAJBH-TWLDFKIOSA-N 0 0 534.660 4.528 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1 ZINC000070701563 553622283 /nfs/dbraw/zinc/62/22/83/553622283.db2.gz VIJOYHLRAUAJBH-XEVVZDEMSA-N 0 0 534.660 4.528 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1F ZINC000070701578 553622581 /nfs/dbraw/zinc/62/25/81/553622581.db2.gz SYOGVZLNQPINRT-TWLDFKIOSA-N 0 0 552.650 4.667 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1F ZINC000070701579 553622465 /nfs/dbraw/zinc/62/24/65/553622465.db2.gz SYOGVZLNQPINRT-XEVVZDEMSA-N 0 0 552.650 4.667 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(F)cc1 ZINC000070701580 553622584 /nfs/dbraw/zinc/62/25/84/553622584.db2.gz UNAQOWVVFPXMDO-HPUNYJORSA-N 0 0 538.623 4.624 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(F)cc1 ZINC000070701582 553622552 /nfs/dbraw/zinc/62/25/52/553622552.db2.gz UNAQOWVVFPXMDO-YCVJPRETSA-N 0 0 538.623 4.624 50 0 biogenic KJAARN O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000070701584 553622547 /nfs/dbraw/zinc/62/25/47/553622547.db2.gz OBWRGFADUSJRRZ-LHHUKBANSA-N 0 0 572.640 4.821 50 0 biogenic KJAARN O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070701586 553622470 /nfs/dbraw/zinc/62/24/70/553622470.db2.gz OBWRGFADUSJRRZ-GCRSFRQPSA-N 0 0 572.640 4.821 50 0 biogenic KJAARN Cc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000070701593 553622483 /nfs/dbraw/zinc/62/24/83/553622483.db2.gz UGQSGSSNBLTGAU-TWLDFKIOSA-N 0 0 534.660 4.794 50 0 biogenic KJAARN Cc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1 ZINC000070701594 553622449 /nfs/dbraw/zinc/62/24/49/553622449.db2.gz UGQSGSSNBLTGAU-XEVVZDEMSA-N 0 0 534.660 4.794 50 0 biogenic KJAARN Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000070701603 553622511 /nfs/dbraw/zinc/62/25/11/553622511.db2.gz XDFAGVRRMZSZQU-MZSJJGOWSA-N 0 0 568.677 4.990 50 0 biogenic KJAARN Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1 ZINC000070701605 553622460 /nfs/dbraw/zinc/62/24/60/553622460.db2.gz XDFAGVRRMZSZQU-PHDGFQFKSA-N 0 0 568.677 4.990 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1c(F)cccc1Cl ZINC000070701640 553622749 /nfs/dbraw/zinc/62/27/49/553622749.db2.gz NJLPNPCTXLCDHE-UNCTUWKVSA-N 0 0 559.041 4.888 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1c(F)cccc1Cl ZINC000070701642 553622647 /nfs/dbraw/zinc/62/26/47/553622647.db2.gz NJLPNPCTXLCDHE-NSVAZKTRSA-N 0 0 559.041 4.888 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(F)cc1 ZINC000070704397 553622745 /nfs/dbraw/zinc/62/27/45/553622745.db2.gz MVTBSMKATUIRGG-PSHDZPGLSA-N 0 0 538.623 4.624 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(F)cc1 ZINC000070704398 553622698 /nfs/dbraw/zinc/62/26/98/553622698.db2.gz MVTBSMKATUIRGG-YSLVSLGOSA-N 0 0 538.623 4.624 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(F)cc1 ZINC000070704400 553622645 /nfs/dbraw/zinc/62/26/45/553622645.db2.gz MVTBSMKATUIRGG-XHAZDJPGSA-N 0 0 538.623 4.624 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(F)cc1 ZINC000070704402 553622674 /nfs/dbraw/zinc/62/26/74/553622674.db2.gz MVTBSMKATUIRGG-VWENNTDVSA-N 0 0 538.623 4.624 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccc(Cl)cc1 ZINC000070704413 553622766 /nfs/dbraw/zinc/62/27/66/553622766.db2.gz NOTZIYOREYLAMU-HPUNYJORSA-N 0 0 555.078 4.791 50 0 biogenic KJAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccc(Cl)cc1 ZINC000070704415 553622759 /nfs/dbraw/zinc/62/27/59/553622759.db2.gz NOTZIYOREYLAMU-YCVJPRETSA-N 0 0 555.078 4.791 50 0 biogenic KJAARN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000070704423 553622658 /nfs/dbraw/zinc/62/26/58/553622658.db2.gz OFQWMESWISLLSP-MZSJJGOWSA-N 0 0 584.676 4.690 50 0 biogenic KJAARN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1 ZINC000070704427 553622718 /nfs/dbraw/zinc/62/27/18/553622718.db2.gz OFQWMESWISLLSP-PHDGFQFKSA-N 0 0 584.676 4.690 50 0 biogenic KJAARN COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000070704448 553622762 /nfs/dbraw/zinc/62/27/62/553622762.db2.gz UKVKBVLIILAWNZ-WSZLSEGOSA-N 0 0 584.676 4.690 50 0 biogenic KJAARN COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070704453 553622728 /nfs/dbraw/zinc/62/27/28/553622728.db2.gz UKVKBVLIILAWNZ-NGCAANIMSA-N 0 0 584.676 4.690 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1cccc(F)c1 ZINC000070704505 553622979 /nfs/dbraw/zinc/62/29/79/553622979.db2.gz BLVJRVFZASSPHT-TWLDFKIOSA-N 0 0 552.650 4.667 50 0 biogenic KJAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1cccc(F)c1 ZINC000070704508 553623057 /nfs/dbraw/zinc/62/30/57/553623057.db2.gz BLVJRVFZASSPHT-XEVVZDEMSA-N 0 0 552.650 4.667 50 0 biogenic KJAARN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000070704551 553623072 /nfs/dbraw/zinc/62/30/72/553623072.db2.gz FGEMETYZWREDLH-LHHUKBANSA-N 0 0 554.650 4.682 50 0 biogenic KJAARN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070704553 553623031 /nfs/dbraw/zinc/62/30/31/553623031.db2.gz FGEMETYZWREDLH-GCRSFRQPSA-N 0 0 554.650 4.682 50 0 biogenic KJAARN O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000070704696 553623596 /nfs/dbraw/zinc/62/35/96/553623596.db2.gz CEPNHHKTBHAQGH-MZSJJGOWSA-N 0 0 568.677 4.724 50 0 biogenic KJAARN O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070704700 553623481 /nfs/dbraw/zinc/62/34/81/553623481.db2.gz CEPNHHKTBHAQGH-PHDGFQFKSA-N 0 0 568.677 4.724 50 0 biogenic KJAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCC1=CCCCC1 ZINC000070705136 553624580 /nfs/dbraw/zinc/62/45/80/553624580.db2.gz NKLVWGGNNGESFC-HPUNYJORSA-N 0 0 556.732 4.882 50 0 biogenic KJAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCC1=CCCCC1 ZINC000070705138 553624541 /nfs/dbraw/zinc/62/45/41/553624541.db2.gz NKLVWGGNNGESFC-YCVJPRETSA-N 0 0 556.732 4.882 50 0 biogenic KJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)c1 ZINC000070705140 553624564 /nfs/dbraw/zinc/62/45/64/553624564.db2.gz LUPIJGJTRGHNFU-MYELJEHHSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)c1 ZINC000070705142 553624906 /nfs/dbraw/zinc/62/49/06/553624906.db2.gz LUPIJGJTRGHNFU-HTZJHERLSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)c1 ZINC000070705144 553624769 /nfs/dbraw/zinc/62/47/69/553624769.db2.gz LUPIJGJTRGHNFU-FNHKZSGOSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)c1 ZINC000070705147 553624858 /nfs/dbraw/zinc/62/48/58/553624858.db2.gz LUPIJGJTRGHNFU-OVTKCHPXSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000070705522 553625598 /nfs/dbraw/zinc/62/55/98/553625598.db2.gz ULVONAVTVFYZKQ-GSBZAIBZSA-N 0 0 546.671 4.814 50 0 biogenic KJAARN O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070705525 553625639 /nfs/dbraw/zinc/62/56/39/553625639.db2.gz ULVONAVTVFYZKQ-QMOZSOIISA-N 0 0 546.671 4.814 50 0 biogenic KJAARN COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000070705707 553626189 /nfs/dbraw/zinc/62/61/89/553626189.db2.gz JVKNTDSYNORIEP-KDLQGFRMSA-N 0 0 558.034 4.680 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccc(OC)cc1 ZINC000070705803 553626339 /nfs/dbraw/zinc/62/63/39/553626339.db2.gz QVEMDDRWOULVAQ-SFHBZOCZSA-N 0 0 564.686 4.536 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccc(OC)cc1 ZINC000070705806 553626399 /nfs/dbraw/zinc/62/63/99/553626399.db2.gz QVEMDDRWOULVAQ-AKXSOLIVSA-N 0 0 564.686 4.536 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccc(OC)cc1 ZINC000070705807 553626408 /nfs/dbraw/zinc/62/64/08/553626408.db2.gz QVEMDDRWOULVAQ-NKKIMHHFSA-N 0 0 564.686 4.536 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccc(OC)cc1 ZINC000070705810 553626405 /nfs/dbraw/zinc/62/64/05/553626405.db2.gz QVEMDDRWOULVAQ-NDRDCLFJSA-N 0 0 564.686 4.536 50 0 biogenic KJAARN CC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000070705916 553626628 /nfs/dbraw/zinc/62/66/28/553626628.db2.gz MNDWQPBQPMQPHO-TWLDFKIOSA-N 0 0 534.660 4.528 50 0 biogenic KJAARN CC(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070705919 553626677 /nfs/dbraw/zinc/62/66/77/553626677.db2.gz MNDWQPBQPMQPHO-XEVVZDEMSA-N 0 0 534.660 4.528 50 0 biogenic KJAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccccc1Cl ZINC000070706009 553626963 /nfs/dbraw/zinc/62/69/63/553626963.db2.gz SRQHKBSGKWWBPE-UNCTUWKVSA-N 0 0 573.118 4.846 50 0 biogenic KJAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccccc1Cl ZINC000070706011 553626968 /nfs/dbraw/zinc/62/69/68/553626968.db2.gz SRQHKBSGKWWBPE-NSVAZKTRSA-N 0 0 573.118 4.846 50 0 biogenic KJAARN COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000070706045 553626992 /nfs/dbraw/zinc/62/69/92/553626992.db2.gz RGOIEQIXJJUYKS-KDLQGFRMSA-N 0 0 558.034 4.680 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1cccc(F)c1 ZINC000070706533 553628237 /nfs/dbraw/zinc/62/82/37/553628237.db2.gz SDBMNTPOKUOQLK-RKIXSCSISA-N 0 0 552.650 4.667 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1cccc(F)c1 ZINC000070706537 553628227 /nfs/dbraw/zinc/62/82/27/553628227.db2.gz SDBMNTPOKUOQLK-TVMRRWMBSA-N 0 0 552.650 4.667 50 0 biogenic KJAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1cccc(F)c1 ZINC000070706541 553628285 /nfs/dbraw/zinc/62/82/85/553628285.db2.gz SDBMNTPOKUOQLK-MWTPLJDYSA-N 0 0 552.650 4.667 50 0 biogenic KJAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1cccc(F)c1 ZINC000070706544 553628284 /nfs/dbraw/zinc/62/82/84/553628284.db2.gz SDBMNTPOKUOQLK-JQHDYUSYSA-N 0 0 552.650 4.667 50 0 biogenic KJAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000070706573 553628266 /nfs/dbraw/zinc/62/82/66/553628266.db2.gz NMKJUIHPJMMBRO-HPUNYJORSA-N 0 0 552.700 4.501 50 0 biogenic KJAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000070706576 553628221 /nfs/dbraw/zinc/62/82/21/553628221.db2.gz NMKJUIHPJMMBRO-YCVJPRETSA-N 0 0 552.700 4.501 50 0 biogenic KJAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(Cl)cc1 ZINC000070706847 553629075 /nfs/dbraw/zinc/62/90/75/553629075.db2.gz HWKDOFZZKDCMIZ-UNCTUWKVSA-N 0 0 573.118 4.846 50 0 biogenic KJAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc(Cl)cc1 ZINC000070706850 553629068 /nfs/dbraw/zinc/62/90/68/553629068.db2.gz HWKDOFZZKDCMIZ-NSVAZKTRSA-N 0 0 573.118 4.846 50 0 biogenic KJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)cc1 ZINC000070707022 553629634 /nfs/dbraw/zinc/62/96/34/553629634.db2.gz CXTBHEZZXMHYKS-MYELJEHHSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@@H]5CCCO5)cc4)C(=O)N32)cc1 ZINC000070707025 553629657 /nfs/dbraw/zinc/62/96/57/553629657.db2.gz CXTBHEZZXMHYKS-HTZJHERLSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)cc1 ZINC000070707029 553629676 /nfs/dbraw/zinc/62/96/76/553629676.db2.gz CXTBHEZZXMHYKS-FNHKZSGOSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NC[C@H]5CCCO5)cc4)C(=O)N32)cc1 ZINC000070707031 553629628 /nfs/dbraw/zinc/62/96/28/553629628.db2.gz CXTBHEZZXMHYKS-OVTKCHPXSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@@H]4CCCO4)C(=O)N32)c1 ZINC000070707070 553629655 /nfs/dbraw/zinc/62/96/55/553629655.db2.gz KTUQHZGGWLWRQB-DGYBNRFQSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@@H]4CCCO4)C(=O)N32)c1 ZINC000070707072 553629618 /nfs/dbraw/zinc/62/96/18/553629618.db2.gz KTUQHZGGWLWRQB-SSKOMTKWSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)c1 ZINC000070707076 553629686 /nfs/dbraw/zinc/62/96/86/553629686.db2.gz KTUQHZGGWLWRQB-WTILKEDBSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)c1 ZINC000070707082 553629682 /nfs/dbraw/zinc/62/96/82/553629682.db2.gz KTUQHZGGWLWRQB-LJQNWDROSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1ccc(-c2c(-c3ccccc3)c(C(=O)C(=O)NCCO)n3ccc4cc(OC)c(OC)cc4c23)cc1OC ZINC000070707222 553630183 /nfs/dbraw/zinc/63/01/83/553630183.db2.gz PGSMPWHUENOIMV-UHFFFAOYSA-N 0 0 554.599 4.752 50 0 biogenic KJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@@H]4CCCO4)C(=O)N32)cc1 ZINC000070707371 553630746 /nfs/dbraw/zinc/63/07/46/553630746.db2.gz WBZBYPBNSGROHX-DGYBNRFQSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@@H]4CCCO4)C(=O)N32)cc1 ZINC000070707374 553630653 /nfs/dbraw/zinc/63/06/53/553630653.db2.gz WBZBYPBNSGROHX-SSKOMTKWSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)cc1 ZINC000070707376 553630720 /nfs/dbraw/zinc/63/07/20/553630720.db2.gz WBZBYPBNSGROHX-WTILKEDBSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NC[C@H]4CCCO4)C(=O)N32)cc1 ZINC000070707379 553630691 /nfs/dbraw/zinc/63/06/91/553630691.db2.gz WBZBYPBNSGROHX-LJQNWDROSA-N 0 0 550.615 4.568 50 0 biogenic KJAARN COc1ccc([C@H](CC(=O)NC2CC2)NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1OC ZINC000070708516 553633030 /nfs/dbraw/zinc/63/30/30/553633030.db2.gz CCMUNTNBJDETOZ-QHCPKHFHSA-N 0 0 532.593 4.632 50 0 biogenic KJAARN COc1ccc([C@@H](CC(=O)NC2CC2)NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1OC ZINC000070708518 553633080 /nfs/dbraw/zinc/63/30/80/553633080.db2.gz CCMUNTNBJDETOZ-HSZRJFAPSA-N 0 0 532.593 4.632 50 0 biogenic KJAARN CCc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(Cc3ccccc3F)c2=O)cc1 ZINC000071328701 553635429 /nfs/dbraw/zinc/63/54/29/553635429.db2.gz VQCQNEJGXFJGTF-UHFFFAOYSA-N 0 0 521.592 4.875 50 0 KJAARN COCCOCCOCCOCCOCCOCCOCCCCCCCCCCCSC(C)=O ZINC000071773518 553636704 /nfs/dbraw/zinc/63/67/04/553636704.db2.gz ZZUZZUPDJVKGND-UHFFFAOYSA-N 0 0 524.761 4.523 50 0 KJAARN O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1N1CCCC[C@@H]1CCN1CCOCC1 ZINC000071775271 553637043 /nfs/dbraw/zinc/63/70/43/553637043.db2.gz AIHGNIYONFRLKP-HXUWFJFHSA-N 0 0 519.589 4.566 50 0 KJAARN O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1N1CCCC[C@H]1CCN1CCOCC1 ZINC000071775272 553637072 /nfs/dbraw/zinc/63/70/72/553637072.db2.gz AIHGNIYONFRLKP-FQEVSTJZSA-N 0 0 519.589 4.566 50 0 KJAARN O=S(=O)(c1ccc(F)c(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@@H]1CCN1CCOCC1 ZINC000071775282 553637088 /nfs/dbraw/zinc/63/70/88/553637088.db2.gz ZXSZUBKSMBIADP-LJQANCHMSA-N 0 0 519.589 4.566 50 0 KJAARN O=S(=O)(c1ccc(F)c(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@H]1CCN1CCOCC1 ZINC000071775283 553637143 /nfs/dbraw/zinc/63/71/43/553637143.db2.gz ZXSZUBKSMBIADP-IBGZPJMESA-N 0 0 519.589 4.566 50 0 KJAARN O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@@H]1CCN1CCOCC1 ZINC000071775284 553637150 /nfs/dbraw/zinc/63/71/50/553637150.db2.gz UOCDISNBYWGUCX-OAQYLSRUSA-N 0 0 519.589 4.566 50 0 KJAARN O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@H]1CCN1CCOCC1 ZINC000071775285 553637066 /nfs/dbraw/zinc/63/70/66/553637066.db2.gz UOCDISNBYWGUCX-NRFANRHFSA-N 0 0 519.589 4.566 50 0 KJAARN COc1cc(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](C(=O)[O-])N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1C ZINC000071788134 553637756 /nfs/dbraw/zinc/63/77/56/553637756.db2.gz LNVHMIGZISCVKC-MHZLTWQESA-N 0 0 622.744 4.537 50 0 KJAARN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072139570 553645024 /nfs/dbraw/zinc/64/50/24/553645024.db2.gz BKOVKFFVVYPMCJ-HXUWFJFHSA-N 0 0 552.096 4.937 50 0 KJAARN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072139571 553644878 /nfs/dbraw/zinc/64/48/78/553644878.db2.gz BKOVKFFVVYPMCJ-FQEVSTJZSA-N 0 0 552.096 4.937 50 0 KJAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C)cc2)C1 ZINC000072314489 553647120 /nfs/dbraw/zinc/64/71/20/553647120.db2.gz SEVNIFWJWRGIHC-DEOSSOPVSA-N 0 0 518.060 4.950 50 0 KJAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C)cc2)C1 ZINC000072314490 553647111 /nfs/dbraw/zinc/64/71/11/553647111.db2.gz SEVNIFWJWRGIHC-XMMPIXPASA-N 0 0 518.060 4.950 50 0 KJAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2cccs2)C1 ZINC000072314508 553647165 /nfs/dbraw/zinc/64/71/65/553647165.db2.gz AJUHNWLVNLWQEC-FQEVSTJZSA-N 0 0 510.062 4.703 50 0 KJAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2cccs2)C1 ZINC000072314509 553647256 /nfs/dbraw/zinc/64/72/56/553647256.db2.gz AJUHNWLVNLWQEC-HXUWFJFHSA-N 0 0 510.062 4.703 50 0 KJAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2C)C1 ZINC000072314522 553647156 /nfs/dbraw/zinc/64/71/56/553647156.db2.gz OIJOLCDYPJMTKN-DEOSSOPVSA-N 0 0 518.060 4.950 50 0 KJAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2C)C1 ZINC000072314523 553647082 /nfs/dbraw/zinc/64/70/82/553647082.db2.gz OIJOLCDYPJMTKN-XMMPIXPASA-N 0 0 518.060 4.950 50 0 KJAARN Cc1cc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000072325091 553648015 /nfs/dbraw/zinc/64/80/15/553648015.db2.gz DKKONEQPPGSGEQ-RZVZOMPRSA-N 0 0 589.843 4.897 50 0 biogenic KJAARN Cc1cc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000072325094 553648000 /nfs/dbraw/zinc/64/80/00/553648000.db2.gz DKKONEQPPGSGEQ-PBAYUXNISA-N 0 0 589.843 4.897 50 0 biogenic KJAARN CC(=O)Nc1cccc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)c1 ZINC000072325148 553648294 /nfs/dbraw/zinc/64/82/94/553648294.db2.gz KJFRQOLXLBKEJA-DBUMTQGESA-N 0 0 540.745 4.961 50 0 biogenic KJAARN COc1ccc(CCNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)cc1 ZINC000072325159 553648296 /nfs/dbraw/zinc/64/82/96/553648296.db2.gz QXPJYJGOBIJXGF-YQPDKUNUSA-N 0 0 541.773 4.732 50 0 biogenic KJAARN C[C@H](CCC(=O)N1CCO[C@H](c2ccccc2)C1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325167 553648282 /nfs/dbraw/zinc/64/82/82/553648282.db2.gz MZVGQAHOHUARLT-YRPSKUMDSA-N 0 0 553.784 4.964 50 0 biogenic KJAARN C[C@H](CCC(=O)N1CCO[C@@H](c2ccccc2)C1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325168 553648256 /nfs/dbraw/zinc/64/82/56/553648256.db2.gz MZVGQAHOHUARLT-NPPUVOCISA-N 0 0 553.784 4.964 50 0 biogenic KJAARN COc1ccccc1CCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325305 553648283 /nfs/dbraw/zinc/64/82/83/553648283.db2.gz DVGARQVWEHOOJY-FNTYMBJESA-N 0 0 541.773 4.732 50 0 biogenic KJAARN C[C@H](CCC(=O)NCCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325435 553648435 /nfs/dbraw/zinc/64/84/35/553648435.db2.gz FTZQMPSBOOYHQC-QVNHKTGWSA-N 0 0 511.747 4.723 50 0 biogenic KJAARN COc1ccc(CCNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)cc1OC ZINC000072325499 553648430 /nfs/dbraw/zinc/64/84/30/553648430.db2.gz JSGZJXLWEWLRFB-ZNOCMMPTSA-N 0 0 571.799 4.740 50 0 biogenic KJAARN C[C@H](CCC(=O)N1CCc2ccccc2C1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325715 553648448 /nfs/dbraw/zinc/64/84/48/553648448.db2.gz JFKIIONFZPCBBJ-SIPSGJDJSA-N 0 0 523.758 4.949 50 0 biogenic KJAARN C[C@H](CCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325736 553648526 /nfs/dbraw/zinc/64/85/26/553648526.db2.gz NKDDLORPNSREMI-MFPDQIHISA-N 0 0 566.827 4.709 50 0 biogenic KJAARN COc1ccccc1CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325943 553648509 /nfs/dbraw/zinc/64/85/09/553648509.db2.gz IOHJQHPEQWTSHU-GKKLROEVSA-N 0 0 527.746 4.689 50 0 biogenic KJAARN CCOC(=O)Cc1csc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)n1 ZINC000072325962 553648818 /nfs/dbraw/zinc/64/88/18/553648818.db2.gz ZWGRTNZKEINRID-VLALWOGNSA-N 0 0 576.800 4.565 50 0 biogenic KJAARN Cc1csc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)n1 ZINC000072326001 553648761 /nfs/dbraw/zinc/64/87/61/553648761.db2.gz XSZZSRBCBYIENW-KWQPEXISSA-N 0 0 504.737 4.768 50 0 biogenic KJAARN C[C@H](CCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072326067 553648838 /nfs/dbraw/zinc/64/88/38/553648838.db2.gz JLQBWCKTVPAKCJ-FWSIYKFJSA-N 0 0 552.800 4.713 50 0 biogenic KJAARN COc1ccc(CNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)cc1OC ZINC000072326132 553648784 /nfs/dbraw/zinc/64/87/84/553648784.db2.gz YGAIPXBEAHZWNC-NWQYTEARSA-N 0 0 557.772 4.698 50 0 biogenic KJAARN COc1ccc(NC(C)=O)cc1NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072326142 553648824 /nfs/dbraw/zinc/64/88/24/553648824.db2.gz LEEUMRZQZXTZEO-OIHHQCACSA-N 0 0 570.771 4.970 50 0 biogenic KJAARN COc1ccc(CNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)cc1 ZINC000072326150 553648844 /nfs/dbraw/zinc/64/88/44/553648844.db2.gz OEKYIYPRTQFNMT-FMDQHECTSA-N 0 0 527.746 4.689 50 0 biogenic KJAARN CCOC(=O)c1sc(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)nc1C ZINC000072326237 553648814 /nfs/dbraw/zinc/64/88/14/553648814.db2.gz IWZLTRMMIRXTPE-OONSKFEJSA-N 0 0 576.800 4.944 50 0 biogenic KJAARN CCOC(=O)N1CCN(C(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)CC1 ZINC000072326275 553648827 /nfs/dbraw/zinc/64/88/27/553648827.db2.gz GFGBLIVVHHYJQM-YIHQWROLSA-N 0 0 532.766 4.694 50 0 biogenic KJAARN CC(C)c1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCN(c5ccccc5)CC4)nc23)cc1 ZINC000072333342 553650320 /nfs/dbraw/zinc/65/03/20/553650320.db2.gz SVTZZQGSHYXPPC-UHFFFAOYSA-N 0 0 518.668 4.622 50 0 KJAARN COc1cccc(Cn2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCC(=O)NCCc2ccccc2)c1 ZINC000072333410 553650543 /nfs/dbraw/zinc/65/05/43/553650543.db2.gz ZRKHNRQCESHBDF-UHFFFAOYSA-N 0 0 524.646 4.900 50 0 KJAARN CC(C)n1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000072333441 553650962 /nfs/dbraw/zinc/65/09/62/553650962.db2.gz OCBZIXODKKCKBU-UHFFFAOYSA-N 0 0 505.619 4.553 50 0 KJAARN Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)o4)cc32)ccc1Oc1ccn2ncnc2c1 ZINC000073096245 553652085 /nfs/dbraw/zinc/65/20/85/553652085.db2.gz QVMNYGOVNWWFKF-UHFFFAOYSA-N 0 0 569.647 4.911 50 0 in-vitro KJAARN CC[S@@](=O)[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000077292295 553659325 /nfs/dbraw/zinc/65/93/25/553659325.db2.gz HOPJJYXGUGPOFD-GYEWAVCTSA-N 0 0 508.636 4.765 50 0 in-vitro KJAARN CC[S@](=O)[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000077292297 553659379 /nfs/dbraw/zinc/65/93/79/553659379.db2.gz HOPJJYXGUGPOFD-UWMMXUAFSA-N 0 0 508.636 4.765 50 0 in-vitro KJAARN CC[S@@](=O)[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000077292302 553659402 /nfs/dbraw/zinc/65/94/02/553659402.db2.gz HOPJJYXGUGPOFD-KOSPXSNPSA-N 0 0 508.636 4.765 50 0 in-vitro KJAARN CC[S@](=O)[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000077292305 553659323 /nfs/dbraw/zinc/65/93/23/553659323.db2.gz HOPJJYXGUGPOFD-JZMWQPORSA-N 0 0 508.636 4.765 50 0 in-vitro KJAARN CO[C@]1(C)O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000077319659 553665125 /nfs/dbraw/zinc/66/51/25/553665125.db2.gz SCDVHQXHQOSKCS-MYTZRPOQSA-N 0 0 506.595 4.834 50 0 in-vitro KJAARN CO[C@@]1(C)O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000077319663 553665173 /nfs/dbraw/zinc/66/51/73/553665173.db2.gz SCDVHQXHQOSKCS-ZWPZRNDPSA-N 0 0 506.595 4.834 50 0 in-vitro KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc(C)c3)C2)c1 ZINC000079112281 553665998 /nfs/dbraw/zinc/66/59/98/553665998.db2.gz MYZDDZKTKAMLOK-DEOSSOPVSA-N 0 0 518.060 4.950 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc(C)c3)C2)c1 ZINC000079112284 553666003 /nfs/dbraw/zinc/66/60/03/553666003.db2.gz MYZDDZKTKAMLOK-XMMPIXPASA-N 0 0 518.060 4.950 50 0 KJAARN Cc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000079112478 553666041 /nfs/dbraw/zinc/66/60/41/553666041.db2.gz QBTCZBFRQRUDEJ-QHCPKHFHSA-N 0 0 504.033 4.560 50 0 KJAARN Cc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000079112479 553666034 /nfs/dbraw/zinc/66/60/34/553666034.db2.gz QBTCZBFRQRUDEJ-HSZRJFAPSA-N 0 0 504.033 4.560 50 0 KJAARN Cc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000079112544 553666105 /nfs/dbraw/zinc/66/61/05/553666105.db2.gz TZOZNNSYSDBABF-QHCPKHFHSA-N 0 0 504.033 4.560 50 0 KJAARN Cc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000079112546 553666125 /nfs/dbraw/zinc/66/61/25/553666125.db2.gz TZOZNNSYSDBABF-HSZRJFAPSA-N 0 0 504.033 4.560 50 0 KJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000079166031 553666050 /nfs/dbraw/zinc/66/60/50/553666050.db2.gz AEGIKVXVBFROTA-KYJUHHDHSA-N 0 0 536.628 4.995 50 0 KJAARN O=C(O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](n2cnc3c2ncnc3N(C(=O)c2ccccc2)C(=O)c2ccccc2)O[C@H]1CO)c1ccccc1 ZINC000079183257 553666289 /nfs/dbraw/zinc/66/62/89/553666289.db2.gz GNYQOUZNLMTKQG-KGQFRXFDSA-N 0 0 683.677 4.654 50 0 KJAARN O=C(O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H](CO)O[C@H]1n1cnc2c1ncnc2N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000079183258 553666336 /nfs/dbraw/zinc/66/63/36/553666336.db2.gz GNYQOUZNLMTKQG-ILRNBGCISA-N 0 0 683.677 4.654 50 0 KJAARN O=C(O[C@@H]1[C@H](CO)O[C@H](n2cnc3c2ncnc3N(C(=O)c2ccccc2)C(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000079183260 553666265 /nfs/dbraw/zinc/66/62/65/553666265.db2.gz GNYQOUZNLMTKQG-DWXQBWDZSA-N 0 0 683.677 4.654 50 0 KJAARN O=C(O[C@@H]1[C@H](CO)O[C@@H](n2cnc3c2ncnc3N(C(=O)c2ccccc2)C(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000079183261 553666316 /nfs/dbraw/zinc/66/63/16/553666316.db2.gz GNYQOUZNLMTKQG-WTNSZDBTSA-N 0 0 683.677 4.654 50 0 KJAARN C[C@H](CCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079188130 553666729 /nfs/dbraw/zinc/66/67/29/553666729.db2.gz WSTKGNAYSQFSDX-GFNPSOAPSA-N 0 0 622.847 4.904 50 0 biogenic KJAARN C[C@H](CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079188137 553666694 /nfs/dbraw/zinc/66/66/94/553666694.db2.gz WSTKGNAYSQFSDX-ZLGXCDAYSA-N 0 0 622.847 4.904 50 0 biogenic KJAARN COc1cc2c(cc1OC)CN(C(=O)CC[C@@H](C)[C@H]1CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]13C)CC2 ZINC000079188241 553666744 /nfs/dbraw/zinc/66/67/44/553666744.db2.gz RQRLFZPEEKXZDR-BKSJSOHUSA-N 0 0 583.810 4.966 50 0 biogenic KJAARN COc1ccccc1N1CCN(C(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)CC1 ZINC000079188246 553666712 /nfs/dbraw/zinc/66/67/12/553666712.db2.gz XSYSBCYWKJQCLB-DQHNTHBESA-N 0 0 582.826 4.722 50 0 biogenic KJAARN C[C@H](CCC(=O)Nc1nc2c(s1)CCC2)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000079193255 553668662 /nfs/dbraw/zinc/66/86/62/553668662.db2.gz SATUUSNIOCAQFY-XETBLDCYSA-N 0 0 530.775 4.948 50 0 biogenic KJAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000080345622 553673149 /nfs/dbraw/zinc/67/31/49/553673149.db2.gz FVMOOAMFXKIGLK-JOCHJYFZSA-N 0 0 511.644 4.579 50 0 KJAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000080345626 553673135 /nfs/dbraw/zinc/67/31/35/553673135.db2.gz FVMOOAMFXKIGLK-QFIPXVFZSA-N 0 0 511.644 4.579 50 0 KJAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)c(OC)c1 ZINC000083927867 553677015 /nfs/dbraw/zinc/67/70/15/553677015.db2.gz AKKVBBUSNQHAQC-QFIPXVFZSA-N 0 0 508.625 4.729 50 0 KJAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)c(OC)c1 ZINC000083927868 553676884 /nfs/dbraw/zinc/67/68/84/553676884.db2.gz AKKVBBUSNQHAQC-JOCHJYFZSA-N 0 0 508.625 4.729 50 0 KJAARN Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)c1 ZINC000084085977 553676961 /nfs/dbraw/zinc/67/69/61/553676961.db2.gz IMBXNGYXANOVER-XMMPIXPASA-N 0 0 518.585 4.903 50 0 KJAARN Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)CN4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)c1 ZINC000084085979 553676866 /nfs/dbraw/zinc/67/68/66/553676866.db2.gz IMBXNGYXANOVER-DEOSSOPVSA-N 0 0 518.585 4.903 50 0 KJAARN Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CCN(c5ccccc5F)CC4)ccc3c2=O)c1 ZINC000084085982 553677278 /nfs/dbraw/zinc/67/72/78/553677278.db2.gz RLSWJOJINVVZKQ-JOCHJYFZSA-N 0 0 518.585 4.903 50 0 KJAARN Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)CN4CCN(c5ccccc5F)CC4)ccc3c2=O)c1 ZINC000084085984 553677248 /nfs/dbraw/zinc/67/72/48/553677248.db2.gz RLSWJOJINVVZKQ-QFIPXVFZSA-N 0 0 518.585 4.903 50 0 KJAARN Cc1cccc(Oc2coc3cc(OC[C@H](O)CN4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)c1 ZINC000084213096 553677294 /nfs/dbraw/zinc/67/72/94/553677294.db2.gz DPQJSIRJVZXGND-HSZRJFAPSA-N 0 0 504.558 4.595 50 0 KJAARN Cc1cccc(Oc2coc3cc(OC[C@@H](O)CN4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)c1 ZINC000084213098 553677261 /nfs/dbraw/zinc/67/72/61/553677261.db2.gz DPQJSIRJVZXGND-QHCPKHFHSA-N 0 0 504.558 4.595 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4cccc(C)c4C)CC2)c2ccccc23)cc1C ZINC000084466250 553677701 /nfs/dbraw/zinc/67/77/01/553677701.db2.gz OYVSJBDHYOGRRE-UHFFFAOYSA-N 0 0 526.666 4.671 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)cc1OC ZINC000084672150 553678002 /nfs/dbraw/zinc/67/80/02/553678002.db2.gz SSVGBSDXWXYXSU-UHFFFAOYSA-N 0 0 527.455 4.565 50 0 KJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000084688361 553677896 /nfs/dbraw/zinc/67/78/96/553677896.db2.gz PXTVRLCNEFFXFB-UHFFFAOYSA-N 0 0 529.987 4.867 50 0 KJAARN CCOCCCN1C[C@H](C(=O)N2CCC(c3c[nH]c4ccccc43)(c3c[nH]c4ccccc43)CC2)CC1=O ZINC000085392575 553678905 /nfs/dbraw/zinc/67/89/05/553678905.db2.gz ZDJPGBVAYPRZIJ-JOCHJYFZSA-N 0 0 512.654 4.833 50 0 KJAARN CCOCCCN1C[C@@H](C(=O)N2CCC(c3c[nH]c4ccccc43)(c3c[nH]c4ccccc43)CC2)CC1=O ZINC000085392580 553678793 /nfs/dbraw/zinc/67/87/93/553678793.db2.gz ZDJPGBVAYPRZIJ-QFIPXVFZSA-N 0 0 512.654 4.833 50 0 KJAARN O=C([C@@H]1CC(=O)N(C[C@@H]2CCCO2)C1)N1CCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)CC1 ZINC000085392681 553679160 /nfs/dbraw/zinc/67/91/60/553679160.db2.gz SCPWXFQYWZIWFT-YADHBBJMSA-N 0 0 510.638 4.585 50 0 KJAARN O=C([C@H]1CC(=O)N(C[C@@H]2CCCO2)C1)N1CCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)CC1 ZINC000085392686 553679180 /nfs/dbraw/zinc/67/91/80/553679180.db2.gz SCPWXFQYWZIWFT-VXKWHMMOSA-N 0 0 510.638 4.585 50 0 KJAARN O=C([C@@H]1CC(=O)N(C[C@H]2CCCO2)C1)N1CCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)CC1 ZINC000085392691 553679171 /nfs/dbraw/zinc/67/91/71/553679171.db2.gz SCPWXFQYWZIWFT-FGZHOGPDSA-N 0 0 510.638 4.585 50 0 KJAARN O=C([C@H]1CC(=O)N(C[C@H]2CCCO2)C1)N1CCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)CC1 ZINC000085392699 553679106 /nfs/dbraw/zinc/67/91/06/553679106.db2.gz SCPWXFQYWZIWFT-FCHUYYIVSA-N 0 0 510.638 4.585 50 0 KJAARN COc1ccc(OC)c(-n2c(SC)nnc2-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c1 ZINC000085393066 553679375 /nfs/dbraw/zinc/67/93/75/553679375.db2.gz ORIAXDURHAUWCY-UHFFFAOYSA-N 0 0 506.609 4.865 50 0 KJAARN CC(C)NC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccc(F)c(F)c2)C1 ZINC000085397543 553679607 /nfs/dbraw/zinc/67/96/07/553679607.db2.gz UBWGCQMUGQDWQN-CHQSNSNVSA-N 0 0 507.549 4.783 50 0 KJAARN CC(C)NC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccc(F)c(F)c2)C1 ZINC000085397545 553679634 /nfs/dbraw/zinc/67/96/34/553679634.db2.gz UBWGCQMUGQDWQN-AALWMKDKSA-N 0 0 507.549 4.783 50 0 KJAARN COc1cccc(-c2nnc(SCc3ccccc3C(=O)N3CCN(C)CC3)n2Cc2ccccc2)c1 ZINC000085405080 553679596 /nfs/dbraw/zinc/67/95/96/553679596.db2.gz ZTBSODXXESIWHO-UHFFFAOYSA-N 0 0 513.667 4.682 50 0 KJAARN COc1ccc(-c2noc(CCN(CCc3ccc(OC)c(OC)c3)C(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000085405088 553679749 /nfs/dbraw/zinc/67/97/49/553679749.db2.gz RBLOJYZQGOFWEU-UHFFFAOYSA-N 0 0 519.573 4.758 50 0 KJAARN COc1cccc(-c2noc(CCN(CCc3ccc(OC)c(OC)c3)C(=O)Cc3ccc(F)cc3)n2)c1 ZINC000085405115 553679569 /nfs/dbraw/zinc/67/95/69/553679569.db2.gz RWJVTJDCNDMJQP-UHFFFAOYSA-N 0 0 519.573 4.758 50 0 KJAARN COc1cccc(-c2nnc(SCc3ccccc3C(=O)N3CCOCC3)n2-c2ccc(F)cc2)c1 ZINC000085405155 553679751 /nfs/dbraw/zinc/67/97/51/553679751.db2.gz BMGNFIVRRRDUSE-UHFFFAOYSA-N 0 0 504.587 4.847 50 0 KJAARN COc1cccc(-c2nnc(SCc3ccccc3C(=O)N3CCN(C)CC3)n2-c2ccc(F)cc2)c1 ZINC000085405172 553679578 /nfs/dbraw/zinc/67/95/78/553679578.db2.gz SAKKGFOPSKVDSJ-UHFFFAOYSA-N 0 0 517.630 4.762 50 0 KJAARN COc1cccc(-c2nnc(SCc3ccccc3C(=O)N3CCOCC3)n2Cc2ccccc2)c1 ZINC000085405229 553679715 /nfs/dbraw/zinc/67/97/15/553679715.db2.gz SVYOYHJPZMQETO-UHFFFAOYSA-N 0 0 500.624 4.767 50 0 KJAARN CCC[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405275 553679731 /nfs/dbraw/zinc/67/97/31/553679731.db2.gz BUFPMHTXOVOHSZ-QFIPXVFZSA-N 0 0 507.437 4.863 50 0 KJAARN CCC[C@H](C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405277 553679675 /nfs/dbraw/zinc/67/96/75/553679675.db2.gz BUFPMHTXOVOHSZ-JOCHJYFZSA-N 0 0 507.437 4.863 50 0 KJAARN COCCn1c(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nnc1-c1cccc(OC)c1 ZINC000085409183 553680035 /nfs/dbraw/zinc/68/00/35/553680035.db2.gz BHKSUKYTYBFTAG-UHFFFAOYSA-N 0 0 506.603 4.962 50 0 KJAARN CCN1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)CC1 ZINC000085409324 553680000 /nfs/dbraw/zinc/68/00/00/553680000.db2.gz XYUZSKWMKCOJQW-UHFFFAOYSA-N 0 0 511.695 4.987 50 0 KJAARN COc1cc(F)ccc1S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3cc(Cl)ccc32)CC1 ZINC000085410141 553680323 /nfs/dbraw/zinc/68/03/23/553680323.db2.gz YRGMWOKMWASWHS-UHFFFAOYSA-N 0 0 519.023 4.670 50 0 KJAARN COc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CCC(=O)NCCN2CCOCC2)cc1 ZINC000085410166 553680245 /nfs/dbraw/zinc/68/02/45/553680245.db2.gz DLASMIZUBZRZKG-UHFFFAOYSA-N 0 0 519.045 4.711 50 0 KJAARN COc1cc(F)ccc1S(=O)(=O)NCCNc1nc(-c2ccc(C)cc2)nc2cc(Cl)ccc21 ZINC000085410332 553680374 /nfs/dbraw/zinc/68/03/74/553680374.db2.gz QZGZHHYKQBWUFF-UHFFFAOYSA-N 0 0 500.983 4.797 50 0 KJAARN COC[C@H](C)n1c(SCc2ccc(C(=O)NCc3ccncc3)cc2)nnc1-c1cccc(OC)c1 ZINC000085410602 553680686 /nfs/dbraw/zinc/68/06/86/553680686.db2.gz OXZUQGKIHZXBOH-IBGZPJMESA-N 0 0 503.628 4.778 50 0 KJAARN COC[C@@H](C)n1c(SCc2ccc(C(=O)NCc3ccncc3)cc2)nnc1-c1cccc(OC)c1 ZINC000085410605 553680634 /nfs/dbraw/zinc/68/06/34/553680634.db2.gz OXZUQGKIHZXBOH-LJQANCHMSA-N 0 0 503.628 4.778 50 0 KJAARN COc1cc(F)ccc1S(=O)(=O)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC000085410967 553680716 /nfs/dbraw/zinc/68/07/16/553680716.db2.gz INNLSLWFBPBRPK-UHFFFAOYSA-N 0 0 512.994 4.609 50 0 KJAARN COCC(=O)N(Cc1ccc(F)cc1)Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000085413690 553681010 /nfs/dbraw/zinc/68/10/10/553681010.db2.gz QSTOLXWJUTYXBX-UHFFFAOYSA-N 0 0 511.493 4.787 50 0 KJAARN CC(=O)c1ccc(-c2ccc3nc(-c4ccc(C)cc4)c(CCC(=O)NCCN4CCOCC4)n3c2)cc1 ZINC000085420970 553681422 /nfs/dbraw/zinc/68/14/22/553681422.db2.gz GYYXYYFNNZIWCX-UHFFFAOYSA-N 0 0 510.638 4.560 50 0 KJAARN COCc1nnc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1-c1ccccc1F ZINC000085421610 553681449 /nfs/dbraw/zinc/68/14/49/553681449.db2.gz DMNYCKRFRRAYOE-UHFFFAOYSA-N 0 0 506.559 4.504 50 0 KJAARN CCCS(=O)(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(-c4cccc(C)c4)cn32)CC1 ZINC000085422780 553681651 /nfs/dbraw/zinc/68/16/51/553681651.db2.gz NOJIXUKWQUCWKD-UHFFFAOYSA-N 0 0 506.647 4.973 50 0 KJAARN CC(C)NC(=O)N(Cc1ccccc1OS(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@@H]1CCCO1 ZINC000085422791 553681711 /nfs/dbraw/zinc/68/17/11/553681711.db2.gz QPICBABOUDJHFF-IBGZPJMESA-N 0 0 500.539 4.572 50 0 KJAARN CC(C)NC(=O)N(Cc1ccccc1OS(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H]1CCCO1 ZINC000085422796 553681632 /nfs/dbraw/zinc/68/16/32/553681632.db2.gz QPICBABOUDJHFF-LJQANCHMSA-N 0 0 500.539 4.572 50 0 KJAARN CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(CN4CCN(S(=O)(=O)CC)CC4)n3c2)c1 ZINC000085422814 553681679 /nfs/dbraw/zinc/68/16/79/553681679.db2.gz XMNQAMBJQCOKED-UHFFFAOYSA-N 0 0 504.656 4.534 50 0 KJAARN CN1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)CC1 ZINC000085424816 553681692 /nfs/dbraw/zinc/68/16/92/553681692.db2.gz ANQPMDFIBCWOBD-UHFFFAOYSA-N 0 0 501.631 4.677 50 0 KJAARN COc1c(I)cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)cc1I ZINC000085432729 291867943 /nfs/dbraw/zinc/86/79/43/291867943.db2.gz CTRBRDHEPJCPON-ZDUSSCGKSA-N 0 0 790.899 4.860 50 0 biogenic,in-vitro KJAARN Cc1ccc(N2CCN(c3nc4c(S(=O)(=O)c5ccc(C)c(C)c5)nnn4c4ccccc43)CC2)c(C)c1 ZINC000085572200 553684185 /nfs/dbraw/zinc/68/41/85/553684185.db2.gz CXXDUBCKKUSFCC-UHFFFAOYSA-N 0 0 526.666 4.671 50 0 KJAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)cc1 ZINC000085641787 553685899 /nfs/dbraw/zinc/68/58/99/553685899.db2.gz QBYAIKYUALBBLO-UHFFFAOYSA-N 0 0 517.717 4.927 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000085650145 553686041 /nfs/dbraw/zinc/68/60/41/553686041.db2.gz FDKCSDKXXNKVFR-UHFFFAOYSA-N 0 0 508.710 4.860 50 0 KJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000085650147 553686050 /nfs/dbraw/zinc/68/60/50/553686050.db2.gz HNLBLYYTDWQGHP-UHFFFAOYSA-N 0 0 506.694 4.614 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000085650150 553685996 /nfs/dbraw/zinc/68/59/96/553685996.db2.gz NYQWHVPXULNZGW-UHFFFAOYSA-N 0 0 506.694 4.614 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000085650384 553686006 /nfs/dbraw/zinc/68/60/06/553686006.db2.gz CODRJEOJUVZQAY-SFHVURJKSA-N 0 0 508.710 4.860 50 0 KJAARN Cc1sc(-c2noc(C(C)C)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000085650386 553686052 /nfs/dbraw/zinc/68/60/52/553686052.db2.gz CODRJEOJUVZQAY-GOSISDBHSA-N 0 0 508.710 4.860 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000085650388 553686030 /nfs/dbraw/zinc/68/60/30/553686030.db2.gz XDGOSRFUQQUEIH-SFHVURJKSA-N 0 0 506.694 4.614 50 0 KJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000085650391 553686044 /nfs/dbraw/zinc/68/60/44/553686044.db2.gz XDGOSRFUQQUEIH-GOSISDBHSA-N 0 0 506.694 4.614 50 0 KJAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3cc(Cl)ccc3C)c2n1 ZINC000085668242 553686376 /nfs/dbraw/zinc/68/63/76/553686376.db2.gz AZGCCRJLZMSJIS-UHFFFAOYSA-N 0 0 510.015 4.755 50 0 KJAARN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)c(Cl)c3)nc2O)cc1 ZINC000085689237 553686391 /nfs/dbraw/zinc/68/63/91/553686391.db2.gz PVXWDYVUTIOSNR-UHFFFAOYSA-N 0 0 510.012 4.881 50 0 KJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1C ZINC000085712774 553686372 /nfs/dbraw/zinc/68/63/72/553686372.db2.gz LZLRDPAKJZYSEM-UHFFFAOYSA-N 0 0 519.019 4.624 50 0 KJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc3nsnc32)c1C ZINC000085712801 553686293 /nfs/dbraw/zinc/68/62/93/553686293.db2.gz DYFAHWDTRLJABX-UHFFFAOYSA-N 0 0 519.048 4.857 50 0 KJAARN CCCc1ccc(S(=O)(=O)N(Cc2c(C)[nH]c(C(=O)OCC)c2C)Cc2ccc3c(c2)OCO3)cc1 ZINC000085712835 553686290 /nfs/dbraw/zinc/68/62/90/553686290.db2.gz SAJNLVPDWIKIFW-UHFFFAOYSA-N 0 0 512.628 4.881 50 0 KJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)cc(C)cc2C)c1C ZINC000085712839 553686352 /nfs/dbraw/zinc/68/63/52/553686352.db2.gz TVWKMNZOAAALPO-UHFFFAOYSA-N 0 0 512.628 4.853 50 0 KJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000085712853 553686270 /nfs/dbraw/zinc/68/62/70/553686270.db2.gz WVVXCYRSOCZHMS-UHFFFAOYSA-N 0 0 504.992 4.581 50 0 KJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cccc(Cl)c2C)c1C ZINC000085712895 553686313 /nfs/dbraw/zinc/68/63/13/553686313.db2.gz ZKIOXNZERSNWSJ-UHFFFAOYSA-N 0 0 519.019 4.890 50 0 KJAARN C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000085867965 553688102 /nfs/dbraw/zinc/68/81/02/553688102.db2.gz XGCYPRYKAOGFEQ-VEYDHLCMSA-N 0 0 818.921 4.809 50 0 biogenic KJAARN C[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000085867975 553688129 /nfs/dbraw/zinc/68/81/29/553688129.db2.gz XGCYPRYKAOGFEQ-HUTUBIKLSA-N 0 0 818.921 4.809 50 0 biogenic KJAARN C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000085867980 553688134 /nfs/dbraw/zinc/68/81/34/553688134.db2.gz XGCYPRYKAOGFEQ-AJYOZGBCSA-N 0 0 818.921 4.809 50 0 biogenic KJAARN C[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000085867983 553688127 /nfs/dbraw/zinc/68/81/27/553688127.db2.gz XGCYPRYKAOGFEQ-VFRQKDATSA-N 0 0 818.921 4.809 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3cc5ccccc5n(C)c3=O)CC(=O)O4)c2=O)cc1 ZINC000085875257 553688423 /nfs/dbraw/zinc/68/84/23/553688423.db2.gz HXPKETQLECSJAJ-IBGZPJMESA-N 0 0 509.514 4.770 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3cc5ccccc5n(C)c3=O)CC(=O)O4)c2=O)cc1 ZINC000085875260 553688429 /nfs/dbraw/zinc/68/84/29/553688429.db2.gz HXPKETQLECSJAJ-LJQANCHMSA-N 0 0 509.514 4.770 50 0 biogenic KJAARN O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NCCc1c[nH]c2ccccc12 ZINC000085876227 553689037 /nfs/dbraw/zinc/68/90/37/553689037.db2.gz BQHSBOXLLGZGHW-UHFFFAOYSA-N 0 0 501.590 4.805 50 0 biogenic KJAARN COc1cc2c(cc1OC)CN(C(=O)CCn1c3ccccc3c3c1-c1nc4ccccc4c(=O)n1CC3)CC2 ZINC000085877189 553688995 /nfs/dbraw/zinc/68/89/95/553688995.db2.gz APVSGGITQDSWML-UHFFFAOYSA-N 0 0 534.616 4.567 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3ccc(OC)c(OC)c3OC)CC(=O)O4)c2=O)cc1 ZINC000085877752 553689232 /nfs/dbraw/zinc/68/92/32/553689232.db2.gz NEVJBBPYEUSPRQ-SFHVURJKSA-N 0 0 518.518 4.944 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3ccc(OC)c(OC)c3OC)CC(=O)O4)c2=O)cc1 ZINC000085877757 553689337 /nfs/dbraw/zinc/68/93/37/553689337.db2.gz NEVJBBPYEUSPRQ-GOSISDBHSA-N 0 0 518.518 4.944 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3cc5ccc(OC)cc5n(C)c3=O)CC(=O)O4)c2=O)cc1 ZINC000085877782 553689430 /nfs/dbraw/zinc/68/94/30/553689430.db2.gz OYLLBLZZPZNZBM-FQEVSTJZSA-N 0 0 539.540 4.779 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3cc5ccc(OC)cc5n(C)c3=O)CC(=O)O4)c2=O)cc1 ZINC000085877787 553689355 /nfs/dbraw/zinc/68/93/55/553689355.db2.gz OYLLBLZZPZNZBM-HXUWFJFHSA-N 0 0 539.540 4.779 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3cc(OC)c(OC)cc3OC)CC(=O)O4)c2=O)cc1 ZINC000085878074 553689806 /nfs/dbraw/zinc/68/98/06/553689806.db2.gz ZSQAZYSMNQKBHS-SFHVURJKSA-N 0 0 518.518 4.944 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3cc(OC)c(OC)cc3OC)CC(=O)O4)c2=O)cc1 ZINC000085878079 553689749 /nfs/dbraw/zinc/68/97/49/553689749.db2.gz ZSQAZYSMNQKBHS-GOSISDBHSA-N 0 0 518.518 4.944 50 0 biogenic KJAARN CC(C)N1c2ccccc2[C@H](NC(=O)CCn2c3ccccc3c3c2-c2nc4ccccc4c(=O)n2CC3)C1=O ZINC000085878298 553689651 /nfs/dbraw/zinc/68/96/51/553689651.db2.gz LMSSVSORXKPSIN-NDEPHWFRSA-N 0 0 531.616 4.577 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3cc5cccc6c5n(c3=O)CC6)CC(=O)O4)c2=O)cc1 ZINC000085878747 553689640 /nfs/dbraw/zinc/68/96/40/553689640.db2.gz KDEUIERGWNGXBE-FQEVSTJZSA-N 0 0 521.525 4.789 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3cc5cccc6c5n(c3=O)CC6)CC(=O)O4)c2=O)cc1 ZINC000085878750 553689635 /nfs/dbraw/zinc/68/96/35/553689635.db2.gz KDEUIERGWNGXBE-HXUWFJFHSA-N 0 0 521.525 4.789 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000085878849 553689646 /nfs/dbraw/zinc/68/96/46/553689646.db2.gz KTHSXRAZEVBRCC-SFHVURJKSA-N 0 0 518.518 4.944 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000085878853 553689764 /nfs/dbraw/zinc/68/97/64/553689764.db2.gz KTHSXRAZEVBRCC-GOSISDBHSA-N 0 0 518.518 4.944 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3cc(OC)c5c(c3)OCCO5)CC(=O)O4)c2=O)cc1 ZINC000085879638 553689752 /nfs/dbraw/zinc/68/97/52/553689752.db2.gz QYQLVKREKUVBHE-SFHVURJKSA-N 0 0 516.502 4.698 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3cc(OC)c5c(c3)OCCO5)CC(=O)O4)c2=O)cc1 ZINC000085879640 553689629 /nfs/dbraw/zinc/68/96/29/553689629.db2.gz QYQLVKREKUVBHE-GOSISDBHSA-N 0 0 516.502 4.698 50 0 biogenic KJAARN COc1ccc(C(=O)Nc2cc(C(=O)NCc3ccccc3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000085879802 553690064 /nfs/dbraw/zinc/69/00/64/553690064.db2.gz YZLPFQJUCZGKHK-BVAGGSTKSA-N 0 0 548.643 4.663 50 0 biogenic KJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc3cccc4c3n(c2=O)CCC4)cc1 ZINC000085880066 553690055 /nfs/dbraw/zinc/69/00/55/553690055.db2.gz PKJIIZKXQLRTBA-FQEVSTJZSA-N 0 0 521.525 4.876 50 0 biogenic KJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc3cccc4c3n(c2=O)CCC4)cc1 ZINC000085880071 553689995 /nfs/dbraw/zinc/68/99/95/553689995.db2.gz PKJIIZKXQLRTBA-HXUWFJFHSA-N 0 0 521.525 4.876 50 0 biogenic KJAARN COc1cccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccccc5Cl)no4)c(C)c3c2=O)c1 ZINC000085942301 553692548 /nfs/dbraw/zinc/69/25/48/553692548.db2.gz FQPGEEHMKINQLF-UHFFFAOYSA-N 0 0 507.959 4.784 50 0 KJAARN O=c1c(=C/C(Br)=C\c2ccccc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000085988304 553692874 /nfs/dbraw/zinc/69/28/74/553692874.db2.gz AUZKMLZHOPKJQJ-FFQWEOITSA-N 0 0 500.421 4.753 50 0 KJAARN O=c1c(=C/C(Br)=C/c2ccccc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000085988308 553692917 /nfs/dbraw/zinc/69/29/17/553692917.db2.gz AUZKMLZHOPKJQJ-HOOLRFALSA-N 0 0 500.421 4.753 50 0 KJAARN CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000087496145 553693191 /nfs/dbraw/zinc/69/31/91/553693191.db2.gz GYSCAQFHASJXRS-FFCOJMSVSA-N 0 0 783.963 4.913 50 0 biogenic,in-vitro KJAARN CN(C)S(=O)(=O)c1cccc(COC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 ZINC000089322698 1067139139 /nfs/dbraw/zinc/13/91/39/1067139139.db2.gz IPMDTFTYBMEDIL-WUKNDPDISA-N 0 0 501.608 4.605 50 0 KJAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3OC)C2)cc1 ZINC000089438996 553693817 /nfs/dbraw/zinc/69/38/17/553693817.db2.gz SBITXPMHULMSBL-VWLOTQADSA-N 0 0 502.596 4.667 50 0 KJAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3OC)C2)cc1 ZINC000089438998 553693760 /nfs/dbraw/zinc/69/37/60/553693760.db2.gz SBITXPMHULMSBL-RUZDIDTESA-N 0 0 502.596 4.667 50 0 KJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)s1 ZINC000089570202 553694023 /nfs/dbraw/zinc/69/40/23/553694023.db2.gz XYPDJMNGHKTFKS-UHFFFAOYSA-N 0 0 515.676 4.567 50 0 KJAARN Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000089651220 553694198 /nfs/dbraw/zinc/69/41/98/553694198.db2.gz CXTARRNDDPUHPI-UHFFFAOYSA-N 0 0 517.607 4.613 50 0 KJAARN COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cc(=O)n2c(C)cccc2n1 ZINC000089689066 553694066 /nfs/dbraw/zinc/69/40/66/553694066.db2.gz DXSRQIKXWQWVEO-UHFFFAOYSA-N 0 0 513.623 4.779 50 0 KJAARN Cc1cccc2nc(CSc3nnc(-c4ccc(Br)o4)n3Cc3ccccc3)cc(=O)n12 ZINC000089689068 553694173 /nfs/dbraw/zinc/69/41/73/553694173.db2.gz IAVYPIQCHAXTNO-UHFFFAOYSA-N 0 0 508.401 4.958 50 0 KJAARN O=S(=O)(/C=C/c1ccccc1)N1CCN(Cn2c3ccccc3n(CCc3ccccc3)c2=S)CC1 ZINC000089832462 553694372 /nfs/dbraw/zinc/69/43/72/553694372.db2.gz UWROZRAYIVOZNR-CJLVFECKSA-N 0 0 518.708 4.991 50 0 KJAARN O=C(CSc1nc2ccccc2c2nc(-c3ccsc3)nn21)N1CCN(c2ccccc2F)CC1 ZINC000089872971 553694333 /nfs/dbraw/zinc/69/43/33/553694333.db2.gz JECIBDFRFLWSBQ-UHFFFAOYSA-N 0 0 504.616 4.586 50 0 KJAARN CC[C@@H](c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)n1Cc1ccccc1)N(C)C ZINC000089948056 553694746 /nfs/dbraw/zinc/69/47/46/553694746.db2.gz RMUUGPXFSWKEQF-QHCPKHFHSA-N 0 0 503.676 4.872 50 0 KJAARN CC[C@H](c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)n1Cc1ccccc1)N(C)C ZINC000089948057 553694786 /nfs/dbraw/zinc/69/47/86/553694786.db2.gz RMUUGPXFSWKEQF-HSZRJFAPSA-N 0 0 503.676 4.872 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)OC)cc1 ZINC000089969541 553694791 /nfs/dbraw/zinc/69/47/91/553694791.db2.gz UHGBIRSYQZTJKY-UHFFFAOYSA-N 0 0 517.401 4.703 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000089978344 553694777 /nfs/dbraw/zinc/69/47/77/553694777.db2.gz FXNANTMLRJBJDW-AREMUKBSSA-N 0 0 511.534 4.831 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)NC(=O)N[C@H]1c1ccco1 ZINC000089978347 553694773 /nfs/dbraw/zinc/69/47/73/553694773.db2.gz FXNANTMLRJBJDW-SANMLTNESA-N 0 0 511.534 4.831 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000089978349 553694768 /nfs/dbraw/zinc/69/47/68/553694768.db2.gz NTMRNCDPIAKHGB-RUZDIDTESA-N 0 0 515.497 4.662 50 0 KJAARN CCOC(=O)C1=C(COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)NC(=O)N[C@H]1c1ccco1 ZINC000089978351 553694775 /nfs/dbraw/zinc/69/47/75/553694775.db2.gz NTMRNCDPIAKHGB-VWLOTQADSA-N 0 0 515.497 4.662 50 0 KJAARN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000095100658 553699222 /nfs/dbraw/zinc/69/92/22/553699222.db2.gz JSFPBFCXLKEATQ-YGJMBROUSA-N 0 0 656.327 4.652 50 0 KJAARN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000095100659 553699192 /nfs/dbraw/zinc/69/91/92/553699192.db2.gz JSFPBFCXLKEATQ-BGBDVBRQSA-N 0 0 656.327 4.652 50 0 KJAARN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 ZINC000095100660 553699232 /nfs/dbraw/zinc/69/92/32/553699232.db2.gz JSFPBFCXLKEATQ-CMFUILSCSA-N 0 0 656.327 4.652 50 0 KJAARN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000095100661 553699241 /nfs/dbraw/zinc/69/92/41/553699241.db2.gz JSFPBFCXLKEATQ-YFIVPJIISA-N 0 0 656.327 4.652 50 0 KJAARN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000095346134 553701133 /nfs/dbraw/zinc/70/11/33/553701133.db2.gz OXSDCKPRHHQRMH-VJGNERBWSA-N 0 0 502.567 4.934 50 0 KJAARN Cc1ncc(CN2CCN(Cc3ccccn3)CC2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095472993 553701369 /nfs/dbraw/zinc/70/13/69/553701369.db2.gz JECMLCIZUNYIFS-UHFFFAOYSA-N 0 0 505.416 4.843 50 0 KJAARN Cc1ncc(CN2CCN(Cc3cccnc3)CC2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095475421 553701709 /nfs/dbraw/zinc/70/17/09/553701709.db2.gz ZAUNPOQSDLWDLD-UHFFFAOYSA-N 0 0 505.416 4.843 50 0 KJAARN COc1ccccc1N1CCN(Cc2cnc(C)c3oc(-c4cc(=O)oc5cc6c(cc54)OCO6)cc32)CC1 ZINC000095480912 553701856 /nfs/dbraw/zinc/70/18/56/553701856.db2.gz KKYOKBWXVHHZNF-UHFFFAOYSA-N 0 0 525.561 4.969 50 0 KJAARN COc1ccc([C@H]2N(S(=O)(=O)c3ccc(OC)c4ncccc34)C[C@H]3c4ccccc4CCN32)cc1 ZINC000095482103 553702148 /nfs/dbraw/zinc/70/21/48/553702148.db2.gz BMDQOZIXNCHARI-RBJSKKJNSA-N 0 0 501.608 4.555 50 0 KJAARN COc1ccc([C@H]2N3CCc4ccccc4[C@@H]3CN2S(=O)(=O)c2ccc(OC)c3ncccc23)cc1 ZINC000095482104 553702093 /nfs/dbraw/zinc/70/20/93/553702093.db2.gz BMDQOZIXNCHARI-CUBQBAPOSA-N 0 0 501.608 4.555 50 0 KJAARN O=c1c2nnc(C(F)(F)F)n2c2cc(Cl)ccc2n1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000095500199 553702541 /nfs/dbraw/zinc/70/25/41/553702541.db2.gz CXTWLUIXKQRSHI-UHFFFAOYSA-N 0 0 511.213 4.896 50 0 KJAARN COc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc1 ZINC000095626598 553706234 /nfs/dbraw/zinc/70/62/34/553706234.db2.gz DUDPVQZRWNPAOY-MRXNPFEDSA-N 0 0 506.424 4.737 50 0 KJAARN COC(=O)[C@H]1CN(CC#Cc2cc(F)cc(F)c2F)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc21 ZINC000095642811 553706622 /nfs/dbraw/zinc/70/66/22/553706622.db2.gz DZJDNKCWKBFGKF-KOSHJBKYSA-N 0 0 524.539 4.786 50 0 KJAARN O=C1NC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)NN1c1ncc(C(F)(F)F)cc1Cl ZINC000095691950 553708442 /nfs/dbraw/zinc/70/84/42/553708442.db2.gz XNTXZSAHVILTEE-UHFFFAOYSA-N 0 0 515.245 4.852 50 0 KJAARN CSc1nc(Sc2n[nH]c(=O)n2-c2ccc(Cl)cc2)cc(Sc2n[nH]c(=O)n2-c2ccc(Cl)cc2)n1 ZINC000095703727 553708728 /nfs/dbraw/zinc/70/87/28/553708728.db2.gz UNOHSVJGKORXFL-UHFFFAOYSA-N 0 0 577.504 4.556 50 0 KJAARN CN(CCN(C)S(=O)(=O)c1ccc(N2C(=O)CC3(CCCC3)C2=O)c(Cl)c1)S(=O)(=O)c1ccc(N2C(=O)CC3(CCCC3)C2=O)c(Cl)c1 ZINC000095707546 553709456 /nfs/dbraw/zinc/70/94/56/553709456.db2.gz NXVRNZLIWBKEKD-UHFFFAOYSA-N 0 0 739.700 4.582 50 0 KJAARN COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)C[C@@H]2OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000095722615 553710102 /nfs/dbraw/zinc/71/01/02/553710102.db2.gz QULRBMKSQKJCOR-OJDZSJEKSA-N 0 0 681.746 4.959 50 0 KJAARN COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)C[C@H]2OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000095722618 553710148 /nfs/dbraw/zinc/71/01/48/553710148.db2.gz QULRBMKSQKJCOR-JFHPUIQFSA-N 0 0 681.746 4.959 50 0 KJAARN O=C(O[C@@H]1CO[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000095722748 553710301 /nfs/dbraw/zinc/71/03/01/553710301.db2.gz YHLULIUXPPJCPL-RPWGJLQWSA-N 0 0 566.562 4.877 50 0 KJAARN O=C(OC[C@H]1O[C@@H](c2nnc(C(F)(F)F)o2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000095725716 553710792 /nfs/dbraw/zinc/71/07/92/553710792.db2.gz YOSIWJCEGYNASZ-BXXSPATCSA-N 0 0 582.487 4.837 50 0 KJAARN 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O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000095931659 553715267 /nfs/dbraw/zinc/71/52/67/553715267.db2.gz QOPFHLDEBLWEFM-UHFFFAOYSA-N 0 0 502.246 4.582 50 0 KJAARN O=C(Nc1ccc(Br)cc1C(=O)c1cccc(Cl)c1)c1n[nH]cc1C(=O)N1CCCCC1 ZINC000095944704 553715252 /nfs/dbraw/zinc/71/52/52/553715252.db2.gz BQWNAHXKULZOQX-UHFFFAOYSA-N 0 0 515.795 4.935 50 0 KJAARN O=C(COC(=O)c1ccccc1NCCc1ccc(Cl)cc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000095944748 553715204 /nfs/dbraw/zinc/71/52/04/553715204.db2.gz PYOJREMMKXLDBF-UHFFFAOYSA-N 0 0 510.034 4.946 50 0 KJAARN C[NH+](C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1cccs1 ZINC000095948485 553716121 /nfs/dbraw/zinc/71/61/21/553716121.db2.gz OYEIXGQQHGMEFA-CQSZACIVSA-N 0 0 504.486 4.950 50 0 KJAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000095948965 553716129 /nfs/dbraw/zinc/71/61/29/553716129.db2.gz ZHEAVOFWKOMRJN-UHFFFAOYSA-N 0 0 504.456 4.568 50 0 KJAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000096019780 553716579 /nfs/dbraw/zinc/71/65/79/553716579.db2.gz KUQFYKMWJFCNEY-UHFFFAOYSA-N 0 0 562.673 4.813 50 0 KJAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000096019802 553716856 /nfs/dbraw/zinc/71/68/56/553716856.db2.gz ZZWCOODLNAINJH-UHFFFAOYSA-N 0 0 597.546 4.570 50 0 KJAARN CN(c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000096019811 553716896 /nfs/dbraw/zinc/71/68/96/553716896.db2.gz RJADBARUZQAWAC-UHFFFAOYSA-N 0 0 533.488 4.738 50 0 KJAARN CCc1ccc(-c2noc(CN3C(=O)N(Cc4nc(-c5ccc(CC)cc5)no4)[C@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 ZINC000096021569 553717401 /nfs/dbraw/zinc/71/74/01/553717401.db2.gz UQEGFRTZJCXQQO-MGBGTMOVSA-N 0 0 630.669 4.767 50 0 KJAARN CCc1ccc(-c2noc(CN3C(=O)N(Cc4nc(-c5ccc(CC)cc5)no4)[C@@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 ZINC000096021570 553717471 /nfs/dbraw/zinc/71/74/71/553717471.db2.gz UQEGFRTZJCXQQO-XIFFEERXSA-N 0 0 630.669 4.767 50 0 KJAARN COCCn1c(=O)c2c(-c3ccccc3Cl)csc2nc1SCCN1C(=O)c2ccccc2C1=O ZINC000096021634 553717353 /nfs/dbraw/zinc/71/73/53/553717353.db2.gz SEVKEPMMCRGPOV-UHFFFAOYSA-N 0 0 526.039 4.813 50 0 KJAARN O=C(c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CC1 ZINC000096021744 553717669 /nfs/dbraw/zinc/71/76/69/553717669.db2.gz OLGSDINIYPQODX-UHFFFAOYSA-N 0 0 684.840 4.568 50 0 KJAARN Cc1ccccc1Nc1nc(N)nc(CN(Cc2ccc(F)cc2)Cc2nc(N)nc(Nc3ccccc3C)n2)n1 ZINC000096021818 553717875 /nfs/dbraw/zinc/71/78/75/553717875.db2.gz LPIFTPVOFVCNAV-UHFFFAOYSA-N 0 0 551.634 4.667 50 0 KJAARN O=C(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 ZINC000096021845 553717923 /nfs/dbraw/zinc/71/79/23/553717923.db2.gz IQNFYCWOUSSIIQ-UHFFFAOYSA-N 0 0 557.091 4.665 50 0 KJAARN CCOC(=O)c1sc2nc(CN(Cc3nc4sc(C(=O)OCC)c(C)c4c(=O)[nH]3)C3CCCCCC3)[nH]c(=O)c2c1C ZINC000096021865 553717956 /nfs/dbraw/zinc/71/79/56/553717956.db2.gz DZWDMOZVDQXIHM-UHFFFAOYSA-N 0 0 613.762 4.978 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(I)cc(I)c1I ZINC000096021976 553718619 /nfs/dbraw/zinc/71/86/19/553718619.db2.gz GSXGFJGGBFCIMV-UHFFFAOYSA-N 0 0 606.942 4.570 50 0 KJAARN CC(=O)c1ccc(NC(=S)NCCN2C(=O)SC(=Cc3cccc(Br)c3)C2=O)cc1 ZINC000096021999 553718869 /nfs/dbraw/zinc/71/88/69/553718869.db2.gz IHXRXCGBMRUVNS-LDADJPATSA-N 0 0 504.431 4.675 50 0 KJAARN O=C(CSc1nnc(-c2n[nH]c3ccccc32)n1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000096022017 553718910 /nfs/dbraw/zinc/71/89/10/553718910.db2.gz TYJJVVFICLCHTA-UHFFFAOYSA-N 0 0 573.704 4.716 50 0 KJAARN COc1cc(C=O)cc(Br)c1OS(=O)(=O)c1cc(Br)ccc1Br ZINC000096022043 553719103 /nfs/dbraw/zinc/71/91/03/553719103.db2.gz IZSLOODYOAZFFF-UHFFFAOYSA-N 0 0 529.000 4.563 50 0 KJAARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n32)ccc1OC(C)=O ZINC000096022178 553719853 /nfs/dbraw/zinc/71/98/53/553719853.db2.gz SQBWNCPZDYCZJZ-HGKWLZTNSA-N 0 0 589.497 4.675 50 0 KJAARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n32)ccc1OC(C)=O ZINC000096022179 553719912 /nfs/dbraw/zinc/71/99/12/553719912.db2.gz SQBWNCPZDYCZJZ-FLWFWKMMSA-N 0 0 589.497 4.675 50 0 KJAARN O=C(NC1CCC(CC2CCC(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)CC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000096022359 553720932 /nfs/dbraw/zinc/72/09/32/553720932.db2.gz OJZSUXHZYDSSOT-UHFFFAOYSA-N 0 0 684.925 4.923 50 0 KJAARN O=S(=O)(c1ccc(Br)cc1)N1CN(c2cccc(S(=O)(=O)N3CCCCC3)c2)c2nc3ccccc3nc21 ZINC000096022565 553721495 /nfs/dbraw/zinc/72/14/95/553721495.db2.gz TVPYSSAYERQSBZ-UHFFFAOYSA-N 0 0 614.547 4.871 50 0 KJAARN O=C(NCCCCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000096022762 553722548 /nfs/dbraw/zinc/72/25/48/553722548.db2.gz OLYJFAXNYZWKML-UHFFFAOYSA-N 0 0 686.856 4.910 50 0 KJAARN O=C(Oc1c(I)cc(I)cc1I)c1cccs1 ZINC000096022803 553722799 /nfs/dbraw/zinc/72/27/99/553722799.db2.gz OODILJJQWLUILM-UHFFFAOYSA-N 0 0 581.938 4.781 50 0 KJAARN O=C(COc1ccc(S(=O)(=O)c2ccc(OCC(=O)OCc3ccccc3)cc2)cc1)OCc1ccccc1 ZINC000096022857 553722791 /nfs/dbraw/zinc/72/27/91/553722791.db2.gz BJMSPTKQPAESOR-UHFFFAOYSA-N 0 0 546.597 4.764 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N\C(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000096095938 553724020 /nfs/dbraw/zinc/72/40/20/553724020.db2.gz YPYVPZOXIKXBFB-OHYPFYFLSA-N 0 0 526.058 4.716 50 0 KJAARN COc1ccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1OC ZINC000096095950 553724025 /nfs/dbraw/zinc/72/40/25/553724025.db2.gz NSICRIWDIJCDBV-IKPAITLHSA-N 0 0 523.586 4.635 50 0 KJAARN COc1cccc(N2CCN(C(=O)c3ccc(/C=C4\SC(=O)N(Cc5ccccc5)C4=O)cc3)CC2)c1 ZINC000096095952 553724029 /nfs/dbraw/zinc/72/40/29/553724029.db2.gz DKLMGAJJZPTTFY-ITYLOYPMSA-N 0 0 513.619 4.894 50 0 KJAARN Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(Cc2ccc(C(=O)N3CCOCC3)cc2)c1C ZINC000096095971 553724086 /nfs/dbraw/zinc/72/40/86/553724086.db2.gz HORRTGZXDZJKMA-PNHLSOANSA-N 0 0 504.439 4.735 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccc(C)cc3)cc2)CC1 ZINC000096095974 553724117 /nfs/dbraw/zinc/72/41/17/553724117.db2.gz WBPBRPYBCPFINZ-FLWNBWAVSA-N 0 0 519.667 4.680 50 0 KJAARN CCN1CCN(C(=O)c2cccc(Cn3cc(C)s/c3=N\C(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000096095984 553724056 /nfs/dbraw/zinc/72/40/56/553724056.db2.gz ZOZJTPYJYKLXJG-FVDSYPCUSA-N 0 0 517.482 4.732 50 0 KJAARN O=C(/C=C/c1ccccc1)Nc1ccc2c(cc(C(=O)NCCN3CCOCC3)n2Cc2ccccc2F)c1 ZINC000096096040 553724000 /nfs/dbraw/zinc/72/40/00/553724000.db2.gz LJNPMJAPOZKTLN-JLHYYAGUSA-N 0 0 526.612 4.543 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2ccccc2Cn2c(C)c(C)s/c2=N\C(=O)c2cccc(C)c2)CC1 ZINC000096096059 553724090 /nfs/dbraw/zinc/72/40/90/553724090.db2.gz OGHCOBFOEALREX-FLWNBWAVSA-N 0 0 519.667 4.680 50 0 KJAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(CC(=O)Nc5ccc(F)cc5)CC4)cc3)sc2c1 ZINC000096101537 553724045 /nfs/dbraw/zinc/72/40/45/553724045.db2.gz OWBDBYFSYPPLHH-UHFFFAOYSA-N 0 0 517.630 4.606 50 0 KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3cc5c(c(OC)c3)OCO5)CC(=O)O4)c2=O)cc1 ZINC000096113753 553724303 /nfs/dbraw/zinc/72/43/03/553724303.db2.gz UUBMSUGALIVVPT-KRWDZBQOSA-N 0 0 502.475 4.656 50 0 biogenic KJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3cc5c(c(OC)c3)OCO5)CC(=O)O4)c2=O)cc1 ZINC000096113754 553724256 /nfs/dbraw/zinc/72/42/56/553724256.db2.gz UUBMSUGALIVVPT-QGZVFWFLSA-N 0 0 502.475 4.656 50 0 biogenic KJAARN COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc21 ZINC000096113775 553724244 /nfs/dbraw/zinc/72/42/44/553724244.db2.gz FUSSNXTUJRYYCY-FQEVSTJZSA-N 0 0 518.518 4.910 50 0 biogenic KJAARN COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc21 ZINC000096113776 553724700 /nfs/dbraw/zinc/72/47/00/553724700.db2.gz FUSSNXTUJRYYCY-HXUWFJFHSA-N 0 0 518.518 4.910 50 0 biogenic KJAARN COC(=O)c1nc(NC(=O)CC/C(C)=C/Cc2c(OC)c3c(c(C)c2OC)COC3=O)sc1C(C)C ZINC000096115787 553726512 /nfs/dbraw/zinc/72/65/12/553726512.db2.gz IRSSFCWRBBFBKA-RIYZIHGNSA-N 0 0 516.616 4.957 50 0 biogenic KJAARN COc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)cc1 ZINC000096124734 553726774 /nfs/dbraw/zinc/72/67/74/553726774.db2.gz KJFPRRCYUQRHAZ-UHFFFAOYSA-N 0 0 505.531 4.597 50 0 KJAARN COc1ccc(-c2c3c(c(OC)c4c2CCN(C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)cc1 ZINC000096134192 553727200 /nfs/dbraw/zinc/72/72/00/553727200.db2.gz JVROIIDKCBXIGB-RPWUZVMVSA-N 0 0 519.550 4.557 50 0 KJAARN CON(C)C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096179459 553727168 /nfs/dbraw/zinc/72/71/68/553727168.db2.gz QTNBCRCLRNUISP-DEOSSOPVSA-N 0 0 511.619 4.609 50 0 KJAARN COc1cc(-c2noc(CCN(CCc3ccccc3)C(=O)COCc3ccccc3)n2)cc(OC)c1OC ZINC000096203352 553727532 /nfs/dbraw/zinc/72/75/32/553727532.db2.gz DMKGNHXWCGDXKD-UHFFFAOYSA-N 0 0 531.609 4.593 50 0 KJAARN COCC(=O)NCCNC(=O)c1cc2c(-c3ccccc3)nn(-c3ccc(Cl)c(Cl)c3)c2s1 ZINC000096210147 553729185 /nfs/dbraw/zinc/72/91/85/553729185.db2.gz IPWRXVZYWCYFJN-UHFFFAOYSA-N 0 0 503.411 4.553 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3cc(C(=O)NCCNC(=O)c4cccs4)sc32)cc1 ZINC000096210150 553729162 /nfs/dbraw/zinc/72/91/62/553729162.db2.gz HLCXJVJRJKONFJ-UHFFFAOYSA-N 0 0 502.621 4.984 50 0 KJAARN CCN(CC)C(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000096210605 553729364 /nfs/dbraw/zinc/72/93/64/553729364.db2.gz WRLNKCOJNJWFRV-UHFFFAOYSA-N 0 0 522.646 4.974 50 0 KJAARN COc1ccc(NC(=O)N2CCCN(c3ccc(NC(=O)c4ccco4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000096210609 553729357 /nfs/dbraw/zinc/72/93/57/553729357.db2.gz WKYQARICTHKPAJ-UHFFFAOYSA-N 0 0 531.613 4.521 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)C(C)C ZINC000096210613 553729373 /nfs/dbraw/zinc/72/93/73/553729373.db2.gz NXMYSNHLBVOAGZ-UHFFFAOYSA-N 0 0 533.595 4.893 50 0 KJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C(C)C)nc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c12 ZINC000096210655 553729392 /nfs/dbraw/zinc/72/93/92/553729392.db2.gz SSESPYDSHFSLQF-UHFFFAOYSA-N 0 0 525.078 4.720 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3ccccc3F)CC2)c(C(=O)N2CCCCC2)c1)C1CCCC1 ZINC000096210875 553729665 /nfs/dbraw/zinc/72/96/65/553729665.db2.gz XIBFLJCESRKQCM-UHFFFAOYSA-N 0 0 520.649 4.933 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cc3C(=O)N3CCCCC3)CC2)c1 ZINC000096210884 553729655 /nfs/dbraw/zinc/72/96/55/553729655.db2.gz WJVDFSNOYRRKPD-UHFFFAOYSA-N 0 0 515.614 4.821 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCCCC2)c1)c1ccco1 ZINC000096210885 553729643 /nfs/dbraw/zinc/72/96/43/553729643.db2.gz VUBBKCGRYJBNMW-UHFFFAOYSA-N 0 0 519.577 4.651 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCCCC2)c1)C1CCCC1 ZINC000096210886 553729672 /nfs/dbraw/zinc/72/96/72/553729672.db2.gz VLONYNNKXDFRHP-UHFFFAOYSA-N 0 0 521.637 4.935 50 0 KJAARN COc1ccc(NC(=O)N2CCCN(c3ccc(NC(=O)C4CCC4)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000096210887 553729646 /nfs/dbraw/zinc/72/96/46/553729646.db2.gz ZMBRERUXBFHVAM-UHFFFAOYSA-N 0 0 533.673 4.804 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C(=O)c1ccc(OC)cc1 ZINC000096211087 553729650 /nfs/dbraw/zinc/72/96/50/553729650.db2.gz VQVRCZFEZAGNNQ-UHFFFAOYSA-N 0 0 504.052 4.837 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)c1ccccc1 ZINC000096211100 553729673 /nfs/dbraw/zinc/72/96/73/553729673.db2.gz IKNOKLXRDCCJEZ-UHFFFAOYSA-N 0 0 517.651 4.503 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)CC(C)(C)C ZINC000096211101 553729670 /nfs/dbraw/zinc/72/96/70/553729670.db2.gz BCVWIUQFCCVCFV-UHFFFAOYSA-N 0 0 511.688 4.625 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CCN(C)C)C(=O)NC(C)(C)C)n2C2CCCCC2)c1 ZINC000096211114 553729662 /nfs/dbraw/zinc/72/96/62/553729662.db2.gz XMTITFABIDFSIL-UHFFFAOYSA-N 0 0 517.740 4.542 50 0 KJAARN CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N([C@@H](C)c2ccccc2)C1=O ZINC000096211128 553729931 /nfs/dbraw/zinc/72/99/31/553729931.db2.gz ILWHNAAGUZDDKA-WMZHIEFXSA-N 0 0 523.621 4.794 50 0 KJAARN CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N([C@@H](C)c2ccccc2)C1=O ZINC000096211129 553729956 /nfs/dbraw/zinc/72/99/56/553729956.db2.gz ILWHNAAGUZDDKA-CVDCTZTESA-N 0 0 523.621 4.794 50 0 KJAARN CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N([C@H](C)c2ccccc2)C1=O ZINC000096211130 553729898 /nfs/dbraw/zinc/72/98/98/553729898.db2.gz ILWHNAAGUZDDKA-AUSIDOKSSA-N 0 0 523.621 4.794 50 0 KJAARN CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N([C@H](C)c2ccccc2)C1=O ZINC000096211131 553729856 /nfs/dbraw/zinc/72/98/56/553729856.db2.gz ILWHNAAGUZDDKA-XXBNENTESA-N 0 0 523.621 4.794 50 0 KJAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)c3c(C)n(C)c4cc(C)ccc43)co1)CC2 ZINC000096222443 553730907 /nfs/dbraw/zinc/73/09/07/553730907.db2.gz XWFPONOOLJGEGY-UHFFFAOYSA-N 0 0 516.594 4.586 50 0 biogenic KJAARN Cn1c(CN2CCCCC2)nc2cc(NC(=O)CN3c4cccnc4Sc4ccccc4C3=O)ccc21 ZINC000096223044 553731777 /nfs/dbraw/zinc/73/17/77/553731777.db2.gz VJQKMLHMSPVINZ-UHFFFAOYSA-N 0 0 512.639 4.704 50 0 KJAARN COc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000096236582 553731702 /nfs/dbraw/zinc/73/17/02/553731702.db2.gz VPSFXBIPZZWCAQ-UHFFFAOYSA-N 0 0 529.062 4.914 50 0 KJAARN Cc1cccc(Cn2c(C(=O)NCCN3CCOCC3)cc3cc(NC(=O)c4ccccc4Cl)ccc32)c1 ZINC000096275121 553731913 /nfs/dbraw/zinc/73/19/13/553731913.db2.gz PECLNTMZTKSPDN-UHFFFAOYSA-N 0 0 531.056 4.966 50 0 KJAARN Cc1ccc(C)c(Cn2c(C(=O)NCCN3CCOCC3)cc3cc(NC(=O)c4ccc(F)cc4)ccc32)c1 ZINC000096275149 553731940 /nfs/dbraw/zinc/73/19/40/553731940.db2.gz RSCFBKKEOYVPKO-UHFFFAOYSA-N 0 0 528.628 4.760 50 0 KJAARN COc1ccc([C@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096275297 553732276 /nfs/dbraw/zinc/73/22/76/553732276.db2.gz USJXYYLXVCYYRO-LJAQVGFWSA-N 0 0 511.666 4.977 50 0 KJAARN COc1ccc([C@@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096275298 553732278 /nfs/dbraw/zinc/73/22/78/553732278.db2.gz USJXYYLXVCYYRO-GDLZYMKVSA-N 0 0 511.666 4.977 50 0 KJAARN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCOCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000096275360 553732233 /nfs/dbraw/zinc/73/22/33/553732233.db2.gz DJVASALVTQZJIH-NDEPHWFRSA-N 0 0 515.629 4.808 50 0 KJAARN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCOCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000096275361 553732266 /nfs/dbraw/zinc/73/22/66/553732266.db2.gz DJVASALVTQZJIH-MUUNZHRXSA-N 0 0 515.629 4.808 50 0 KJAARN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCOCC3)c3ccccc3F)c3ccccc32)cc1 ZINC000096275543 553732783 /nfs/dbraw/zinc/73/27/83/553732783.db2.gz XMFSRNMYZMNFGV-MHZLTWQESA-N 0 0 515.629 4.808 50 0 KJAARN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCOCC3)c3ccccc3F)c3ccccc32)cc1 ZINC000096275544 553732681 /nfs/dbraw/zinc/73/26/81/553732681.db2.gz XMFSRNMYZMNFGV-HHHXNRCGSA-N 0 0 515.629 4.808 50 0 KJAARN COc1cc([C@H](CC(=O)NCCN2CCOCC2)c2cn(C)c3ccccc23)ccc1OCc1ccccc1 ZINC000096275548 553732687 /nfs/dbraw/zinc/73/26/87/553732687.db2.gz LUWDGJBPIJNSOR-MHZLTWQESA-N 0 0 527.665 4.736 50 0 KJAARN COc1cc([C@@H](CC(=O)NCCN2CCOCC2)c2cn(C)c3ccccc23)ccc1OCc1ccccc1 ZINC000096275549 553732731 /nfs/dbraw/zinc/73/27/31/553732731.db2.gz LUWDGJBPIJNSOR-HHHXNRCGSA-N 0 0 527.665 4.736 50 0 KJAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCCN3CCOCC3)c3cccc(OCc4ccccc4)c3)c2c1 ZINC000096275645 553732712 /nfs/dbraw/zinc/73/27/12/553732712.db2.gz GZJKQTWELXYHPK-MHZLTWQESA-N 0 0 513.638 4.726 50 0 KJAARN COc1ccc2[nH]cc([C@H](CC(=O)NCCN3CCOCC3)c3cccc(OCc4ccccc4)c3)c2c1 ZINC000096275646 553732755 /nfs/dbraw/zinc/73/27/55/553732755.db2.gz GZJKQTWELXYHPK-HHHXNRCGSA-N 0 0 513.638 4.726 50 0 KJAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)COCc4ccccc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275829 553732994 /nfs/dbraw/zinc/73/29/94/553732994.db2.gz LCRVJQMDVYYJQD-UHFFFAOYSA-N 0 0 524.665 4.931 50 0 KJAARN CC(C)(C)c1ccc(Cn2c(C(=O)NCCN3CCOCC3)cc3cc(NC(=O)c4ccco4)ccc32)cc1 ZINC000096276445 553733325 /nfs/dbraw/zinc/73/33/25/553733325.db2.gz IEVBMGPCFHOHSS-UHFFFAOYSA-N 0 0 528.653 4.894 50 0 KJAARN COc1ccc([C@@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276450 553733285 /nfs/dbraw/zinc/73/32/85/553733285.db2.gz LHLCAUNTTXHDLT-MUUNZHRXSA-N 0 0 515.629 4.808 50 0 KJAARN COc1ccc([C@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276451 553733330 /nfs/dbraw/zinc/73/33/30/553733330.db2.gz LHLCAUNTTXHDLT-NDEPHWFRSA-N 0 0 515.629 4.808 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc3c(cc(C(=O)NCCN4CCOCC4)n3Cc3cccc(C)c3)c2)cc1 ZINC000096276469 553733334 /nfs/dbraw/zinc/73/33/34/553733334.db2.gz XVKUYTDEYSSBCK-UHFFFAOYSA-N 0 0 510.638 4.621 50 0 KJAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)c4ccccc4F)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276512 553733310 /nfs/dbraw/zinc/73/33/10/553733310.db2.gz WFOIVDJXGCGUOY-UHFFFAOYSA-N 0 0 502.565 4.998 50 0 KJAARN CC(C)C(=O)Nc1ccc2c(cc(C(=O)NCCN3CCOCC3)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000096276543 553733322 /nfs/dbraw/zinc/73/33/22/553733322.db2.gz MASFIMZEGUNLQK-UHFFFAOYSA-N 0 0 504.675 4.644 50 0 KJAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)Cc4ccc(F)cc4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276682 553733528 /nfs/dbraw/zinc/73/35/28/553733528.db2.gz ZJIKGYLNDUIPMC-UHFFFAOYSA-N 0 0 516.592 4.927 50 0 KJAARN Cc1cccc(Cn2c(C(=O)NCCN3CCOCC3)cc3cc(NC(=O)CCc4ccccc4)ccc32)c1 ZINC000096276685 553733464 /nfs/dbraw/zinc/73/34/64/553733464.db2.gz BFUGLKIFPKQQEE-UHFFFAOYSA-N 0 0 524.665 4.631 50 0 KJAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(F)cc4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276774 553733513 /nfs/dbraw/zinc/73/35/13/553733513.db2.gz ZTEXWUHNZHSUQJ-UHFFFAOYSA-N 0 0 502.565 4.998 50 0 KJAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)c4cccc(F)c4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276784 553733545 /nfs/dbraw/zinc/73/35/45/553733545.db2.gz YHPYAUQYHUPJJZ-UHFFFAOYSA-N 0 0 502.565 4.998 50 0 KJAARN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCOCC3)Cc3ccccc3)c3ccccc32)cc1 ZINC000096277371 553734351 /nfs/dbraw/zinc/73/43/51/553734351.db2.gz HEOATUMOWQFYFG-MHZLTWQESA-N 0 0 511.666 4.863 50 0 KJAARN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCOCC3)Cc3ccccc3)c3ccccc32)cc1 ZINC000096277372 553734398 /nfs/dbraw/zinc/73/43/98/553734398.db2.gz HEOATUMOWQFYFG-HHHXNRCGSA-N 0 0 511.666 4.863 50 0 KJAARN COc1ccccc1[C@@H](CC(=O)NCCN1CCOCC1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096277373 553734378 /nfs/dbraw/zinc/73/43/78/553734378.db2.gz FMZWPXMUNSOWGJ-HHHXNRCGSA-N 0 0 515.629 4.808 50 0 KJAARN COc1ccccc1[C@H](CC(=O)NCCN1CCOCC1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096277374 553734308 /nfs/dbraw/zinc/73/43/08/553734308.db2.gz FMZWPXMUNSOWGJ-MHZLTWQESA-N 0 0 515.629 4.808 50 0 KJAARN COCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)c3ccc(OC)c(C(F)(F)F)c3)cc2)n1 ZINC000096277703 553734554 /nfs/dbraw/zinc/73/45/54/553734554.db2.gz CULXAILJHKVNAN-UHFFFAOYSA-N 0 0 502.449 4.832 50 0 KJAARN CCN1CCN(C(=O)c2cc3cc(NC(=O)COCc4ccccc4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096278150 553734546 /nfs/dbraw/zinc/73/45/46/553734546.db2.gz RXNQNKDGDOMOAU-UHFFFAOYSA-N 0 0 528.628 4.762 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc3c(cc(C(=O)NCCN4CCOCC4)n3Cc3cccc(F)c3)c2)cc1C ZINC000096278155 553734580 /nfs/dbraw/zinc/73/45/80/553734580.db2.gz OIIZHYMINUPCSU-UHFFFAOYSA-N 0 0 528.628 4.760 50 0 KJAARN COCCOc1nc(-c2ccco2)n(-c2cccc(NC(=O)c3ccc(OC)c(C(F)(F)F)c3)c2)n1 ZINC000096278476 553735141 /nfs/dbraw/zinc/73/51/41/553735141.db2.gz FKQDHMGLOIFPBR-UHFFFAOYSA-N 0 0 502.449 4.832 50 0 KJAARN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCOCC3)c3ccc(OC)cc3)c3ccccc32)cc1 ZINC000096278567 553735135 /nfs/dbraw/zinc/73/51/35/553735135.db2.gz KZPKUDCRWWKXEZ-LJAQVGFWSA-N 0 0 527.665 4.677 50 0 KJAARN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCOCC3)c3ccc(OC)cc3)c3ccccc32)cc1 ZINC000096278568 553735198 /nfs/dbraw/zinc/73/51/98/553735198.db2.gz KZPKUDCRWWKXEZ-GDLZYMKVSA-N 0 0 527.665 4.677 50 0 KJAARN COc1ccc([C@H](CC(=O)NCCN2CCOCC2)c2cn(C)c3ccccc23)cc1OCc1ccccc1 ZINC000096278613 553735154 /nfs/dbraw/zinc/73/51/54/553735154.db2.gz VYFITVUDFDZIFG-MHZLTWQESA-N 0 0 527.665 4.736 50 0 KJAARN COc1ccc([C@@H](CC(=O)NCCN2CCOCC2)c2cn(C)c3ccccc23)cc1OCc1ccccc1 ZINC000096278614 553735483 /nfs/dbraw/zinc/73/54/83/553735483.db2.gz VYFITVUDFDZIFG-HHHXNRCGSA-N 0 0 527.665 4.736 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1OC)C(=O)Nc1ccccc1OC ZINC000096279763 553736316 /nfs/dbraw/zinc/73/63/16/553736316.db2.gz XGMDNVCJLNBLBM-QFIPXVFZSA-N 0 0 522.627 4.624 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1OC)C(=O)Nc1ccccc1OC ZINC000096279764 553736280 /nfs/dbraw/zinc/73/62/80/553736280.db2.gz XGMDNVCJLNBLBM-JOCHJYFZSA-N 0 0 522.627 4.624 50 0 KJAARN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(F)cc1)C(=O)c1ccccc1Cl ZINC000096279904 553736593 /nfs/dbraw/zinc/73/65/93/553736593.db2.gz FDVQBFPPWLRPLS-UHFFFAOYSA-N 0 0 506.965 5.441 50 0 KJAARN COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CN(CC3CC3)C(=O)c3ccccc3C)n2)cc1 ZINC000096279905 553736486 /nfs/dbraw/zinc/73/64/86/553736486.db2.gz NMZUSURYJFJTDG-UHFFFAOYSA-N 0 0 512.585 5.486 50 0 KJAARN COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000096279957 553736525 /nfs/dbraw/zinc/73/65/25/553736525.db2.gz VGHOSLZWPIPSRQ-UHFFFAOYSA-N 0 0 523.678 4.767 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2coc(CN(Cc3ccc(F)cc3)Cc3ccc(OCC)cc3)n2)CC1 ZINC000096280049 553736579 /nfs/dbraw/zinc/73/65/79/553736579.db2.gz WBVUCSACPOEVDL-UHFFFAOYSA-N 0 0 523.605 4.830 50 0 KJAARN CN(Cc1ccccc1)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)NCCN3CCOCC3)c2)n1 ZINC000096280098 553736556 /nfs/dbraw/zinc/73/65/56/553736556.db2.gz DGYZGORDHJEBCR-UHFFFAOYSA-N 0 0 533.742 4.765 50 0 KJAARN COc1ccc(-c2nc(NCc3ccc4c(c3)OCO4)nc3nn(-c4cccc(F)c4)c(N)c32)c(F)c1 ZINC000096280206 553736831 /nfs/dbraw/zinc/73/68/31/553736831.db2.gz URLLRXLUWJFERY-UHFFFAOYSA-N 0 0 502.481 4.692 50 0 KJAARN COc1cccc(N2CCN(c3nc4nn(-c5cccc(F)c5)c(N)c4c(-c4cccs4)n3)CC2)c1 ZINC000096280213 553736833 /nfs/dbraw/zinc/73/68/33/553736833.db2.gz RUWVBAWKVFJGDG-UHFFFAOYSA-N 0 0 501.591 4.601 50 0 KJAARN COc1ccc(CN2CCN(c3nc4nn(-c5cccc(F)c5)c(N)c4c(-c4cccs4)n3)CC2)cc1 ZINC000096280214 553736839 /nfs/dbraw/zinc/73/68/39/553736839.db2.gz XESSGCNWTVKYSJ-UHFFFAOYSA-N 0 0 515.618 4.596 50 0 KJAARN COc1ccc(CN2CCN(c3nc4nn(-c5cccc(C)c5)c(N)c4c(-c4cccs4)n3)CC2)cc1 ZINC000096280216 553736823 /nfs/dbraw/zinc/73/68/23/553736823.db2.gz VHFACNMHUIUWOK-UHFFFAOYSA-N 0 0 511.655 4.765 50 0 KJAARN O=C(c1ccccc1Cl)N1CCc2nc(N3CCN(c4ccccc4)CC3)nc(N3CCCCC3)c2C1 ZINC000096280935 553736895 /nfs/dbraw/zinc/73/68/95/553736895.db2.gz DAZNBZUDVQFBFT-UHFFFAOYSA-N 0 0 517.077 4.645 50 0 KJAARN O=C(NCC1CC1)c1csc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)C2CC2)CC3)n1 ZINC000096281159 553737217 /nfs/dbraw/zinc/73/72/17/553737217.db2.gz JCPCQBMCACTWRL-AREMUKBSSA-N 0 0 505.615 4.885 50 0 KJAARN O=C(NCC1CC1)c1csc(COc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)C2CC2)CC3)n1 ZINC000096281160 553737156 /nfs/dbraw/zinc/73/71/56/553737156.db2.gz JCPCQBMCACTWRL-SANMLTNESA-N 0 0 505.615 4.885 50 0 KJAARN O=c1c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccco1 ZINC000096281297 553737208 /nfs/dbraw/zinc/73/72/08/553737208.db2.gz YKOHAHLUCBYHKE-UHFFFAOYSA-N 0 0 500.864 4.711 50 0 KJAARN O=c1c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(-c2ccc(Cl)cc2)c(=O)n1Cc1ccco1 ZINC000096281354 553737442 /nfs/dbraw/zinc/73/74/42/553737442.db2.gz QFFOHFJLGQLLHW-UHFFFAOYSA-N 0 0 501.757 4.999 50 0 KJAARN CC(C)c1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C5CCCCC5)CC4)nc(N(C)C)c3C2)cc1 ZINC000096281884 553737459 /nfs/dbraw/zinc/73/74/59/553737459.db2.gz IAWQTUZLXFNGDS-UHFFFAOYSA-N 0 0 505.711 4.711 50 0 KJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCc2nc(N3CCCCC3)nc(Oc3cccc(F)c3)c2C1 ZINC000096281888 553737462 /nfs/dbraw/zinc/73/74/62/553737462.db2.gz OSYFLVZMSDTOMK-UHFFFAOYSA-N 0 0 502.999 4.799 50 0 KJAARN O=S(=O)(c1cccc(Cl)c1)N1CCc2nc(N3CCCCC3)nc(Oc3cccc(F)c3)c2C1 ZINC000096281891 553737795 /nfs/dbraw/zinc/73/77/95/553737795.db2.gz OCGIJYNKADBATR-UHFFFAOYSA-N 0 0 502.999 4.799 50 0 KJAARN O=C(CCn1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21)NN1CCOCC1 ZINC000096287134 553738106 /nfs/dbraw/zinc/73/81/06/553738106.db2.gz XTXBZEDIWBGTHE-UHFFFAOYSA-N 0 0 502.229 4.994 50 0 KJAARN CN1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)CC1 ZINC000096287222 553738028 /nfs/dbraw/zinc/73/80/28/553738028.db2.gz MEVDDRNSZSCYOV-UHFFFAOYSA-N 0 0 505.047 4.663 50 0 KJAARN COc1ccc(-n2c(SCc3ccccc3C(=O)N3CCN(C)CC3)nnc2-c2ccc(C)cc2)cc1 ZINC000096287239 553738113 /nfs/dbraw/zinc/73/81/13/553738113.db2.gz ZXPZRWSVPHUWKS-UHFFFAOYSA-N 0 0 513.667 4.931 50 0 KJAARN CCOc1cccc(-c2ccc3nc(-c4ccc(OC)cc4)c(CCC(=O)N4CCN(C(C)=O)CC4)n3c2)c1 ZINC000096287446 553738302 /nfs/dbraw/zinc/73/83/02/553738302.db2.gz RRNMCKILYNDETN-UHFFFAOYSA-N 0 0 526.637 4.699 50 0 KJAARN COc1ccc([C@@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000096287537 553738890 /nfs/dbraw/zinc/73/88/90/553738890.db2.gz VGZVREMTQNPMMQ-HHHXNRCGSA-N 0 0 527.665 4.677 50 0 KJAARN COc1ccc([C@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000096287538 553738884 /nfs/dbraw/zinc/73/88/84/553738884.db2.gz VGZVREMTQNPMMQ-MHZLTWQESA-N 0 0 527.665 4.677 50 0 KJAARN O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F)NCCN1CCOCC1 ZINC000096287539 553738852 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/nfs/dbraw/zinc/73/91/59/553739159.db2.gz HNOIKLIFUTTZOZ-NANFOGFDSA-N 0 0 515.597 4.954 50 0 KJAARN Cc1ccc(CO[C@H]2C[C@](OCc3ccc(F)cc3F)(C(=O)NCC3CC3)C[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000096288076 553739250 /nfs/dbraw/zinc/73/92/50/553739250.db2.gz HNOIKLIFUTTZOZ-XWDJFTLGSA-N 0 0 515.597 4.954 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)C(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000096288118 553739126 /nfs/dbraw/zinc/73/91/26/553739126.db2.gz IQCPOCADBNNZDR-KRWDZBQOSA-N 0 0 516.443 4.933 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)C(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000096288119 553739179 /nfs/dbraw/zinc/73/91/79/553739179.db2.gz IQCPOCADBNNZDR-QGZVFWFLSA-N 0 0 516.443 4.933 50 0 KJAARN Cc1ccc(CO[C@@H]2C[C@](OCc3ccc(F)cc3F)(C(=O)NC(C)C)C[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000096288166 553739253 /nfs/dbraw/zinc/73/92/53/553739253.db2.gz FVICXWJNQWFVID-YKKMPQLRSA-N 0 0 503.586 4.953 50 0 KJAARN Cc1ccc(CO[C@H]2C[C@](OCc3ccc(F)cc3F)(C(=O)NC(C)C)C[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000096288167 553739215 /nfs/dbraw/zinc/73/92/15/553739215.db2.gz FVICXWJNQWFVID-HLPJKERBSA-N 0 0 503.586 4.953 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)C(C)C)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096288439 553739789 /nfs/dbraw/zinc/73/97/89/553739789.db2.gz CGWNHKOXLFSQEA-IBGZPJMESA-N 0 0 515.550 4.645 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)C(C)C)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096288440 553739794 /nfs/dbraw/zinc/73/97/94/553739794.db2.gz CGWNHKOXLFSQEA-LJQANCHMSA-N 0 0 515.550 4.645 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC2)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096288441 553739834 /nfs/dbraw/zinc/73/98/34/553739834.db2.gz SUZLOPOBMZUEPE-FQEVSTJZSA-N 0 0 527.561 4.789 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCC2)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096288442 553739810 /nfs/dbraw/zinc/73/98/10/553739810.db2.gz SUZLOPOBMZUEPE-HXUWFJFHSA-N 0 0 527.561 4.789 50 0 KJAARN CCn1c(SCc2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)nnc1-c1cccnc1 ZINC000096288476 553739945 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COCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(Sc2ccc(NC(=O)c3cccs3)cc2)C1=O ZINC000096289001 553741174 /nfs/dbraw/zinc/74/11/74/553741174.db2.gz AUMBESGKYKOAQV-UHFFFAOYSA-N 0 0 523.636 4.830 50 0 KJAARN COCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(Sc2ccc(NC(=O)c3ccccc3)cc2)C1=O ZINC000096289007 553741190 /nfs/dbraw/zinc/74/11/90/553741190.db2.gz ZIFVDXVXSUJJGS-UHFFFAOYSA-N 0 0 517.607 4.769 50 0 KJAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccc(OC)c(F)c2)c1)C(=O)c1ccccc1Cl ZINC000096289274 553741314 /nfs/dbraw/zinc/74/13/14/553741314.db2.gz VKGBJYSAOZJKCR-UHFFFAOYSA-N 0 0 507.967 4.544 50 0 KJAARN CCNC(=O)[C@]1(OCc2ccc(F)cc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(Cl)c2)C1 ZINC000096289294 553741397 /nfs/dbraw/zinc/74/13/97/553741397.db2.gz RVUWMBFCHDITLE-KWNHSTDBSA-N 0 0 509.977 4.909 50 0 KJAARN CCNC(=O)[C@]1(OCc2ccc(F)cc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(Cl)c2)C1 ZINC000096289295 553741297 /nfs/dbraw/zinc/74/12/97/553741297.db2.gz RVUWMBFCHDITLE-DUOVIKOCSA-N 0 0 509.977 4.909 50 0 KJAARN 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Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)[C@H]3CCOC3)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096316735 553749755 /nfs/dbraw/zinc/74/97/55/553749755.db2.gz DHOUGRPKHNCWDW-QFIPXVFZSA-N 0 0 510.560 4.747 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1Cc1ccc(OC)cc1 ZINC000096317411 553750131 /nfs/dbraw/zinc/75/01/31/553750131.db2.gz DKRGNERZWPHDIH-UHFFFAOYSA-N 0 0 526.612 4.991 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1ccc(OC)cc1 ZINC000096317413 553750091 /nfs/dbraw/zinc/75/00/91/553750091.db2.gz XIVOSNDVHPPKMV-UHFFFAOYSA-N 0 0 514.651 4.913 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1Cc1cccc(OC)c1 ZINC000096317518 553750069 /nfs/dbraw/zinc/75/00/69/553750069.db2.gz JNKZRXFKIYAOME-UHFFFAOYSA-N 0 0 526.612 4.991 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1cccc(OC)c1 ZINC000096317520 553750182 /nfs/dbraw/zinc/75/01/82/553750182.db2.gz SUMXTMCYNBZXQZ-UHFFFAOYSA-N 0 0 514.651 4.913 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1cccc(OC)c1 ZINC000096317525 553750073 /nfs/dbraw/zinc/75/00/73/553750073.db2.gz ZKXPPAQLYKECJO-UHFFFAOYSA-N 0 0 503.647 4.520 50 0 KJAARN CCNC(=O)N1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000096317641 553750402 /nfs/dbraw/zinc/75/04/02/553750402.db2.gz RIMZWJKQNXPZNZ-UHFFFAOYSA-N 0 0 513.564 4.751 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096317660 553750485 /nfs/dbraw/zinc/75/04/85/553750485.db2.gz UWMNATKMFBLTOZ-UHFFFAOYSA-N 0 0 510.560 4.958 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096317663 553750451 /nfs/dbraw/zinc/75/04/51/553750451.db2.gz ALUJLGCVHHPPBY-UHFFFAOYSA-N 0 0 513.564 4.703 50 0 KJAARN COCc1nc(CN(Cc2ccco2)C(=O)NC(C)(C)C)[nH]c(=O)c1Cc1cccc(C(F)(F)F)c1 ZINC000096317883 553751022 /nfs/dbraw/zinc/75/10/22/553751022.db2.gz YCDTXLDQQASQEF-UHFFFAOYSA-N 0 0 506.525 4.629 50 0 KJAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C(C)C)cc1)c(=O)n2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000096318160 553751548 /nfs/dbraw/zinc/75/15/48/553751548.db2.gz BSDUOAMQHIUQAH-UHFFFAOYSA-N 0 0 509.528 4.919 50 0 KJAARN O=C(Nc1snnc1C(=O)N1CCC(Cc2ccccc2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000096319529 553751763 /nfs/dbraw/zinc/75/17/63/553751763.db2.gz XEBXYMITDOXFJY-UHFFFAOYSA-N 0 0 525.078 4.641 50 0 KJAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)NCc5ccc(F)cc5F)n4ccn3n2)cc1 ZINC000096322390 553751842 /nfs/dbraw/zinc/75/18/42/553751842.db2.gz GBVWRYQQVIBKPM-UHFFFAOYSA-N 0 0 504.541 4.750 50 0 KJAARN CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)NCc5cc(F)cc(F)c5)n4ccn3n2)cc1 ZINC000096322391 553751800 /nfs/dbraw/zinc/75/18/00/553751800.db2.gz LDNXGJOVSIQUQL-UHFFFAOYSA-N 0 0 504.541 4.750 50 0 KJAARN Cc1ccc(C)c(-c2cc3c4nnc(CCC(=O)NCc5ccc(Br)cc5)n4ccn3n2)c1 ZINC000096322405 553751810 /nfs/dbraw/zinc/75/18/10/553751810.db2.gz JFPDKZRXPNQRSJ-UHFFFAOYSA-N 0 0 503.404 4.672 50 0 KJAARN COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1O ZINC000096335879 553752300 /nfs/dbraw/zinc/75/23/00/553752300.db2.gz VWNQQZUZYWTWBQ-QGZVFWFLSA-N 0 0 504.944 4.723 50 0 KJAARN COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1O ZINC000096335880 553752360 /nfs/dbraw/zinc/75/23/60/553752360.db2.gz VWNQQZUZYWTWBQ-KRWDZBQOSA-N 0 0 504.944 4.723 50 0 KJAARN Cc1ccc2nc3c(cc(C(=O)N4CCN(c5ccccc5Cl)CC4)n3Cc3ccccc3)c(=O)n2c1 ZINC000096347339 553752854 /nfs/dbraw/zinc/75/28/54/553752854.db2.gz WZABLSQKXDNZRD-UHFFFAOYSA-N 0 0 512.013 4.622 50 0 KJAARN Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccccc5Cl)CC4)n(Cc4ccccc4)c3nc12 ZINC000096347459 553752889 /nfs/dbraw/zinc/75/28/89/553752889.db2.gz CPIPLQRGXKKURL-UHFFFAOYSA-N 0 0 512.013 4.622 50 0 KJAARN CC(=O)Nc1ccc(/C=C2/SC(=O)N(CCN3C(=O)S/C(=C/c4ccc(C)cc4)C3=O)C2=O)cc1 ZINC000096401667 553754147 /nfs/dbraw/zinc/75/41/47/553754147.db2.gz JXHQULJDFJBATM-KVVJQUGZSA-N 0 0 507.593 4.726 50 0 KJAARN 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ZINC000096835544 1067139947 /nfs/dbraw/zinc/13/99/47/1067139947.db2.gz MQAYKJWSYPWEHW-XFFZJAGNSA-N 0 0 511.781 4.722 50 0 KJAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2N=C(C=Cc3ccco3)C[C@H]2c2ccco2)C1=O ZINC000096927090 553758229 /nfs/dbraw/zinc/75/82/29/553758229.db2.gz QYBBDTHHGWTTDM-MUBAELHASA-N 0 0 508.534 4.836 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc(C)c3)C2)cc1 ZINC000097228249 553758651 /nfs/dbraw/zinc/75/86/51/553758651.db2.gz OQATUUCEWUBJMY-DEOSSOPVSA-N 0 0 518.060 4.950 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc(C)c3)C2)cc1 ZINC000097228251 553758688 /nfs/dbraw/zinc/75/86/88/553758688.db2.gz OQATUUCEWUBJMY-XMMPIXPASA-N 0 0 518.060 4.950 50 0 KJAARN COc1ccc(Cl)cc1N1C(=O)/C(=C/c2sccc2C)N=C1SCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000097653910 1066472508 /nfs/dbraw/zinc/47/25/08/1066472508.db2.gz CPNMCTBMOIBWRK-NNVWJYBBSA-N 0 0 520.076 4.831 50 0 KJAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000097656307 1067140172 /nfs/dbraw/zinc/14/01/72/1067140172.db2.gz MUSFMVJRFJHGCS-MVCYYGEWSA-N 0 0 511.553 4.551 50 0 KJAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000097656308 1067140837 /nfs/dbraw/zinc/14/08/37/1067140837.db2.gz MUSFMVJRFJHGCS-GGWDLJNASA-N 0 0 511.553 4.551 50 0 KJAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)OCC(=O)Nc1ccccc1F ZINC000097656347 1067140841 /nfs/dbraw/zinc/14/08/41/1067140841.db2.gz CQDDACLPEUWBSZ-PFONDFGASA-N 0 0 509.493 4.980 50 0 KJAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000097656365 1067140785 /nfs/dbraw/zinc/14/07/85/1067140785.db2.gz WDYPZOHANHDYNF-PFONDFGASA-N 0 0 512.591 4.921 50 0 KJAARN CCCN(CC1CC1)C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000097656524 1067140744 /nfs/dbraw/zinc/14/07/44/1067140744.db2.gz XUPFMWDMEQWHEN-QBFSEMIESA-N 0 0 501.583 4.516 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)/C=C\c2ccc(Cl)cc2Cl)ccc1C ZINC000097657669 1067140812 /nfs/dbraw/zinc/14/08/12/1067140812.db2.gz BRIFZUFTFDLMPN-HMWXGYMHSA-N 0 0 513.443 4.916 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)/C=C\c2ccc(Cl)cc2Cl)ccc1C ZINC000097657670 1067140847 /nfs/dbraw/zinc/14/08/47/1067140847.db2.gz BRIFZUFTFDLMPN-CKDIWJPDSA-N 0 0 513.443 4.916 50 0 KJAARN Cc1cc(C(=O)COC(=O)C=Cc2ccc(Br)o2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000097657725 1067140794 /nfs/dbraw/zinc/14/07/94/1067140794.db2.gz VCLCASLMLNMQOB-IQBZNYMQSA-N 0 0 500.345 4.740 50 0 KJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)NC(=O)NC1CCCC1 ZINC000097657954 1067140848 /nfs/dbraw/zinc/14/08/48/1067140848.db2.gz CALLKLRWDJZVOU-KTKRTIGZSA-N 0 0 513.809 4.525 50 0 KJAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)NC(=O)NC1CCCC1 ZINC000097658016 1067140703 /nfs/dbraw/zinc/14/07/03/1067140703.db2.gz UFTFKPNILZDLEN-HJWRWDBZSA-N 0 0 513.809 4.525 50 0 KJAARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 ZINC000097658188 1067140655 /nfs/dbraw/zinc/14/06/55/1067140655.db2.gz AUAMHIPMWDHJOX-QXMHVHEDSA-N 0 0 512.353 4.792 50 0 KJAARN O=C(COC(=O)CNS(=O)(=O)/C=C\c1ccccc1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000097658387 1067140798 /nfs/dbraw/zinc/14/07/98/1067140798.db2.gz KFOAKLPIYFBKKM-PFONDFGASA-N 0 0 517.028 4.563 50 0 KJAARN C/C=C\c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2OC)c(OC)c1 ZINC000097663996 1067140750 /nfs/dbraw/zinc/14/07/50/1067140750.db2.gz WEWWEQYWHOLAKN-YHYXMXQVSA-N 0 0 510.612 4.970 50 0 KJAARN COc1ccc(/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1OC ZINC000097674106 1067140710 /nfs/dbraw/zinc/14/07/10/1067140710.db2.gz KRFPGHLUAFZMRZ-UVTDQMKNSA-N 0 0 513.660 4.521 50 0 KJAARN COc1cccc(NC(=O)CN(C)C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c1 ZINC000097674534 1066227481 /nfs/dbraw/zinc/22/74/81/1066227481.db2.gz RKFZVXVMXGZYIB-PEZBUJJGSA-N 0 0 526.593 4.675 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1OC ZINC000097674576 1067140760 /nfs/dbraw/zinc/14/07/60/1067140760.db2.gz BMZBLGWMDADUTD-SQFISAMPSA-N 0 0 514.557 4.806 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000097676037 1067140684 /nfs/dbraw/zinc/14/06/84/1067140684.db2.gz OEHMFRWSHHDZFJ-PEZBUJJGSA-N 0 0 508.622 4.914 50 0 KJAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000097676127 1067140732 /nfs/dbraw/zinc/14/07/32/1067140732.db2.gz BIBKAKHFFRIOIG-JYRVWZFOSA-N 0 0 521.620 4.761 50 0 KJAARN COC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756764 553759211 /nfs/dbraw/zinc/75/92/11/553759211.db2.gz FSGBHQWRQGCSPT-SANMLTNESA-N 0 0 502.567 4.773 50 0 KJAARN CCOc1ccc2nc(S[C@@H]3CC(=O)N(c4ccccc4I)C3=O)sc2c1 ZINC000097840730 553759451 /nfs/dbraw/zinc/75/94/51/553759451.db2.gz UOLIFTNJVLVXAO-MRXNPFEDSA-N 0 0 510.378 4.724 50 0 KJAARN COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000097898295 553759457 /nfs/dbraw/zinc/75/94/57/553759457.db2.gz OGIPUSJPAXBPKP-PNOGMODKSA-N 0 0 503.555 4.756 50 0 KJAARN Cc1cc(C)cc(-n2c(CN3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)nc3cccnc32)c1 ZINC000097937934 553759478 /nfs/dbraw/zinc/75/94/78/553759478.db2.gz DZWWTAKRLWFCJI-UHFFFAOYSA-N 0 0 517.699 4.841 50 0 KJAARN Cn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1ccncc1 ZINC000097939521 553759471 /nfs/dbraw/zinc/75/94/71/553759471.db2.gz LDAOZLUPPZCVSN-UHFFFAOYSA-N 0 0 562.085 4.895 50 0 KJAARN CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cc(Br)c(OC)c(OC)c1 ZINC000097939610 553759738 /nfs/dbraw/zinc/75/97/38/553759738.db2.gz AXWYACCMQJUMEN-UHFFFAOYSA-N 0 0 590.467 4.977 50 0 KJAARN CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(OC)c(OC)c3)C=C2C(=O)OC)cc(Br)c1OCC ZINC000097939646 553759983 /nfs/dbraw/zinc/75/99/83/553759983.db2.gz FREVJBSQOKJMEN-UHFFFAOYSA-N 0 0 590.467 4.977 50 0 KJAARN CCCOc1ccc(C2C(C(=O)OCC)=CN(Cc3ccc(OC)c(OC)c3)C=C2C(=O)OCC)cc1OC ZINC000097939757 553761043 /nfs/dbraw/zinc/76/10/43/553761043.db2.gz XVCZGEYQYVJXLY-UHFFFAOYSA-N 0 0 539.625 4.995 50 0 KJAARN COc1cc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCCC3)n2)cc(OC)c1OC ZINC000097940220 553763839 /nfs/dbraw/zinc/76/38/39/553763839.db2.gz YHCAULFNYCTWIP-UHFFFAOYSA-N 0 0 525.450 4.893 50 0 KJAARN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c(Br)c1 ZINC000097940327 553764646 /nfs/dbraw/zinc/76/46/46/553764646.db2.gz MVXWDEQRCHFTOA-UHFFFAOYSA-N 0 0 576.538 4.724 50 0 KJAARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1nonc1NC(=O)COc1c(C)cc(Br)cc1C ZINC000097940333 553764591 /nfs/dbraw/zinc/76/45/91/553764591.db2.gz DBIJLTTWLWVZOA-UHFFFAOYSA-N 0 0 582.249 4.863 50 0 KJAARN Cc1cc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(Br)c(C)c2)ccc1Br ZINC000097940344 553764620 /nfs/dbraw/zinc/76/46/20/553764620.db2.gz AINVNEXFQBHMIQ-VXKWHMMOSA-N 0 0 568.306 4.830 50 0 KJAARN Cc1c(Cc2ccccc2)sc(NC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c1C(N)=O ZINC000097940421 553765170 /nfs/dbraw/zinc/76/51/70/553765170.db2.gz IVDKQHOTNUDDHA-UHFFFAOYSA-N 0 0 537.707 4.906 50 0 KJAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000097940626 553766728 /nfs/dbraw/zinc/76/67/28/553766728.db2.gz ZQWSSYXOMTUSCT-UHFFFAOYSA-N 0 0 565.518 4.980 50 0 KJAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000097940630 553766711 /nfs/dbraw/zinc/76/67/11/553766711.db2.gz SLPNGAHKUZVFQI-UHFFFAOYSA-N 0 0 524.421 4.872 50 0 KJAARN O=C(c1c(F)c(Cl)ccc1C(F)(F)F)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000097940636 553766698 /nfs/dbraw/zinc/76/66/98/553766698.db2.gz FKUADJKSSIYVFH-UHFFFAOYSA-N 0 0 549.956 4.754 50 0 KJAARN COc1cc(-c2ccnc(N3CCN(C(=O)c4c(F)c(Cl)ccc4C(F)(F)F)CC3)n2)cc(OC)c1OC ZINC000097940642 553766771 /nfs/dbraw/zinc/76/67/71/553766771.db2.gz RGDRXEQWNDLUON-UHFFFAOYSA-N 0 0 554.928 4.943 50 0 KJAARN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCN(c2nccc(-c3ccc(-n4ccnc4)cc3)n2)CC1 ZINC000097940643 553766678 /nfs/dbraw/zinc/76/66/78/553766678.db2.gz DGVXHJLXFYAZDV-UHFFFAOYSA-N 0 0 549.871 4.800 50 0 KJAARN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCN(c2nccc(-c3ccc(-n4ccnc4)cc3)n2)CC1 ZINC000097940644 553766783 /nfs/dbraw/zinc/76/67/83/553766783.db2.gz GHUBTEYACPHBAK-UHFFFAOYSA-N 0 0 548.978 4.512 50 0 KJAARN CCOc1ccc(-c2ccnc(N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)CC3)n2)cc1 ZINC000097940649 553766715 /nfs/dbraw/zinc/76/67/15/553766715.db2.gz BVMHOLYOACKZPX-UHFFFAOYSA-N 0 0 526.968 4.725 50 0 KJAARN O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000097940656 553766950 /nfs/dbraw/zinc/76/69/50/553766950.db2.gz HDWWJPRZGQLKCE-UHFFFAOYSA-N 0 0 517.360 4.980 50 0 KJAARN O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000097940658 553767019 /nfs/dbraw/zinc/76/70/19/553767019.db2.gz SURGILVMXJSIOH-UHFFFAOYSA-N 0 0 517.360 4.980 50 0 KJAARN COc1cc(-c2ccnc(N3CCN(S(=O)(=O)c4c(Cl)cc(Cl)cc4Cl)CC3)n2)cc(OC)c1OC ZINC000097940660 553767023 /nfs/dbraw/zinc/76/70/23/553767023.db2.gz CTCYCBGJCFNZBV-UHFFFAOYSA-N 0 0 573.886 4.641 50 0 KJAARN O=S(=O)(c1cc(F)c(F)cc1F)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1 ZINC000097940665 553766990 /nfs/dbraw/zinc/76/69/90/553766990.db2.gz WGINYMBTCPEMIS-UHFFFAOYSA-N 0 0 526.540 4.864 50 0 KJAARN COc1cc(-c2ccnc(N3CCN(S(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)CC3)n2)cc(OC)c1OC ZINC000097940667 553767043 /nfs/dbraw/zinc/76/70/43/553767043.db2.gz NCIDZYZJQOPJFB-UHFFFAOYSA-N 0 0 573.886 4.641 50 0 KJAARN CCCc1c(C(=O)N2CCN(c3nccc(-c4ccc5c(c4)OCO5)n3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000097940673 553767026 /nfs/dbraw/zinc/76/70/26/553767026.db2.gz POSLASCDEASKBT-UHFFFAOYSA-N 0 0 531.016 4.626 50 0 KJAARN COc1cc(-c2ccnc(N3CCN(C(=O)c4cccnc4Sc4ccc(C)cc4)CC3)n2)cc(OC)c1OC ZINC000097940674 553766969 /nfs/dbraw/zinc/76/69/69/553766969.db2.gz SXTSIKBRUKTBFX-UHFFFAOYSA-N 0 0 557.676 4.986 50 0 KJAARN CCn1c(C)c(C(=O)N2CCc3[nH]c4cc(-c5ccc(OC)cc5)nn4c(=O)c3C2)cc1-c1ccccc1 ZINC000097942140 553768047 /nfs/dbraw/zinc/76/80/47/553768047.db2.gz ZOAWKYQYBZXPSV-UHFFFAOYSA-N 0 0 507.594 4.694 50 0 KJAARN COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CN(C(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)CC4)cc1 ZINC000097942141 553768081 /nfs/dbraw/zinc/76/80/81/553768081.db2.gz OTHXBSZUTDQMJD-UHFFFAOYSA-N 0 0 525.584 4.502 50 0 KJAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNCCCCCCNC=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000097944453 553769644 /nfs/dbraw/zinc/76/96/44/553769644.db2.gz WQNYHKMHWVCVAS-BMJUYKDLSA-N 0 0 527.408 4.723 50 0 KJAARN O=C(N[C@@H]1CCCS1(=O)=O)/C(NC(=O)c1ccccc1)=C(\Sc1ccc(Cl)cc1)c1ccccc1 ZINC000097944967 553770668 /nfs/dbraw/zinc/77/06/68/553770668.db2.gz MIGZYNLOLWNFJW-KXZZPGAFSA-N 0 0 527.067 4.882 50 0 KJAARN O=C(N[C@H]1CCCS1(=O)=O)/C(NC(=O)c1ccccc1)=C(\Sc1ccc(Cl)cc1)c1ccccc1 ZINC000097944968 553770665 /nfs/dbraw/zinc/77/06/65/553770665.db2.gz MIGZYNLOLWNFJW-VNRABVQOSA-N 0 0 527.067 4.882 50 0 KJAARN Cc1nn(C)c2nc(C3CC3)cc(C3N=NC(=S)N3c3cnn(Cc4ccc(Br)cc4)c3)c12 ZINC000097945306 553771169 /nfs/dbraw/zinc/77/11/69/553771169.db2.gz AJTMOBRRFVHMEZ-UHFFFAOYSA-N 0 0 521.448 4.698 50 0 KJAARN Cc1c2c(cc(=O)n1Cc1ccc3c(c1)OCO3)n(Cc1ccccc1)n(-c1nc3ccccc3s1)c2=O ZINC000097945323 553771423 /nfs/dbraw/zinc/77/14/23/553771423.db2.gz JKJLNSLZSRJFEO-UHFFFAOYSA-N 0 0 522.586 4.697 50 0 KJAARN COC(=O)c1cc(C)sc1NC(=O)CN1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000097945431 553772137 /nfs/dbraw/zinc/77/21/37/553772137.db2.gz VBCKHTLLSYCYCB-UHFFFAOYSA-N 0 0 526.467 4.761 50 0 KJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(COc2cccc(C(F)(F)F)c2)n1C ZINC000097945465 553772393 /nfs/dbraw/zinc/77/23/93/553772393.db2.gz DHJVCNXKTAPIMD-UHFFFAOYSA-N 0 0 528.578 4.999 50 0 KJAARN CCc1cc(C(=O)OC)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2cccnc2)s1 ZINC000097945470 553772417 /nfs/dbraw/zinc/77/24/17/553772417.db2.gz KNLVCZJTRJDYOP-UHFFFAOYSA-N 0 0 528.681 4.659 50 0 KJAARN Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c3nc(-c4ccc(COc5ccc6c(c5)CCC6)cc4)nn3cnc1O2 ZINC000097945521 553772894 /nfs/dbraw/zinc/77/28/94/553772894.db2.gz FTCWGJNNTAVVQX-RUZDIDTESA-N 0 0 530.592 4.910 50 0 KJAARN Cc1[nH]nc2c1[C@H](c1cnn(C)c1)c1c3nc(-c4ccc(COc5ccc6c(c5)CCC6)cc4)nn3cnc1O2 ZINC000097945522 553772934 /nfs/dbraw/zinc/77/29/34/553772934.db2.gz FTCWGJNNTAVVQX-VWLOTQADSA-N 0 0 530.592 4.910 50 0 KJAARN COc1ccc(C(=O)[C@H](C)OC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1 ZINC000097945563 553773173 /nfs/dbraw/zinc/77/31/73/553773173.db2.gz OZBFQKNMIBYUJP-FQEVSTJZSA-N 0 0 531.561 4.658 50 0 KJAARN COc1ccc(C(=O)[C@@H](C)OC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1 ZINC000097945564 553773170 /nfs/dbraw/zinc/77/31/70/553773170.db2.gz OZBFQKNMIBYUJP-HXUWFJFHSA-N 0 0 531.561 4.658 50 0 KJAARN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000097945565 553773181 /nfs/dbraw/zinc/77/31/81/553773181.db2.gz TWFPOAOFGMXPLY-UHFFFAOYSA-N 0 0 531.561 4.578 50 0 KJAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000097945566 553773166 /nfs/dbraw/zinc/77/31/66/553773166.db2.gz XPVDJQDDNLNWQD-UHFFFAOYSA-N 0 0 531.561 4.578 50 0 KJAARN COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)c1 ZINC000097945567 553773200 /nfs/dbraw/zinc/77/32/00/553773200.db2.gz POXLFBYATAFIIU-FQEVSTJZSA-N 0 0 531.561 4.658 50 0 KJAARN COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)c1 ZINC000097945568 553773161 /nfs/dbraw/zinc/77/31/61/553773161.db2.gz POXLFBYATAFIIU-HXUWFJFHSA-N 0 0 531.561 4.658 50 0 KJAARN COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)cc3)cc2)c1 ZINC000097945569 553773192 /nfs/dbraw/zinc/77/31/92/553773192.db2.gz IOPFEIWKPNQILU-UHFFFAOYSA-N 0 0 531.561 4.578 50 0 KJAARN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)cc1 ZINC000097945570 553773163 /nfs/dbraw/zinc/77/31/63/553773163.db2.gz RHMQNVPROQUPSC-FQEVSTJZSA-N 0 0 531.561 4.658 50 0 KJAARN COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)cc1 ZINC000097945571 553773214 /nfs/dbraw/zinc/77/32/14/553773214.db2.gz RHMQNVPROQUPSC-HXUWFJFHSA-N 0 0 531.561 4.658 50 0 KJAARN CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000097945670 553773910 /nfs/dbraw/zinc/77/39/10/553773910.db2.gz YXBBOUOSPIKXPO-GOSISDBHSA-N 0 0 534.107 4.641 50 0 KJAARN CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000097945671 553773865 /nfs/dbraw/zinc/77/38/65/553773865.db2.gz YXBBOUOSPIKXPO-SFHVURJKSA-N 0 0 534.107 4.641 50 0 KJAARN CCOc1ccc(OCc2cccc(-c3nc4c5c(ncn4n3)Oc3n[nH]c(C)c3[C@@H]5c3cnn(C)c3)c2)cc1 ZINC000097945688 553774095 /nfs/dbraw/zinc/77/40/95/553774095.db2.gz KGPRWNSKMLAVSS-DEOSSOPVSA-N 0 0 534.580 4.820 50 0 KJAARN CCOc1ccc(OCc2cccc(-c3nc4c5c(ncn4n3)Oc3n[nH]c(C)c3[C@H]5c3cnn(C)c3)c2)cc1 ZINC000097945689 553774117 /nfs/dbraw/zinc/77/41/17/553774117.db2.gz KGPRWNSKMLAVSS-XMMPIXPASA-N 0 0 534.580 4.820 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)n(-c3ccccc3)nc4C(F)(F)F)CC2)cc1 ZINC000097945690 553774125 /nfs/dbraw/zinc/77/41/25/553774125.db2.gz YAOIRVSYZVPRLS-UHFFFAOYSA-N 0 0 534.585 4.561 50 0 KJAARN COC(=O)c1c(NC(=S)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)sc2c1CCCCCC2 ZINC000097945730 553774351 /nfs/dbraw/zinc/77/43/51/553774351.db2.gz IODIWYGHKKDCDR-UHFFFAOYSA-N 0 0 535.757 4.514 50 0 KJAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000097945746 553774407 /nfs/dbraw/zinc/77/44/07/553774407.db2.gz WVXBWYHXGRKNJH-UHFFFAOYSA-N 0 0 536.028 4.885 50 0 KJAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000097945748 553774382 /nfs/dbraw/zinc/77/43/82/553774382.db2.gz FEXYLERWKUBYMJ-UHFFFAOYSA-N 0 0 536.028 4.723 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000097945749 553774387 /nfs/dbraw/zinc/77/43/87/553774387.db2.gz WVOVHAYAWZBMON-UHFFFAOYSA-N 0 0 536.028 4.805 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000097945757 553774677 /nfs/dbraw/zinc/77/46/77/553774677.db2.gz FVGCIBPVXUACCC-UHFFFAOYSA-N 0 0 536.426 4.841 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000097945758 553774675 /nfs/dbraw/zinc/77/46/75/553774675.db2.gz FCGGTIBXEQTOEV-UHFFFAOYSA-N 0 0 536.426 4.841 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccccc2Br)c1 ZINC000097945759 553774613 /nfs/dbraw/zinc/77/46/13/553774613.db2.gz MOGFOQLJJIIYDB-UHFFFAOYSA-N 0 0 536.426 4.841 50 0 KJAARN Cc1cc(I)cc2c(=O)oc(-c3cc(Br)nn3-c3ncccc3Cl)nc12 ZINC000097945806 553774921 /nfs/dbraw/zinc/77/49/21/553774921.db2.gz ZJUQAMFSOPQGKH-UHFFFAOYSA-N 0 0 543.546 4.765 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2cccc3ccccc32)c1 ZINC000097945856 553775198 /nfs/dbraw/zinc/77/51/98/553775198.db2.gz SUGWVSMFZYVMET-UHFFFAOYSA-N 0 0 537.616 4.996 50 0 KJAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)OCC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000097945874 553775183 /nfs/dbraw/zinc/77/51/83/553775183.db2.gz JIXSQPVETALJIT-UHFFFAOYSA-N 0 0 537.952 4.533 50 0 KJAARN Cn1cc(-c2cc(C(F)(F)F)nc(N3CCN(C(=O)c4ccc(COc5ccc(F)cc5)cc4)CC3)n2)cn1 ZINC000097945988 553775881 /nfs/dbraw/zinc/77/58/81/553775881.db2.gz XFPNPBPMZKHIKM-UHFFFAOYSA-N 0 0 540.521 4.576 50 0 KJAARN Cc1c2c(cc(=O)n1Cc1ccc3c(c1)OCO3)n(Cc1ccc(F)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000097945990 553775991 /nfs/dbraw/zinc/77/59/91/553775991.db2.gz GTGANAYTFNKERH-UHFFFAOYSA-N 0 0 540.576 4.836 50 0 KJAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000097946002 553775970 /nfs/dbraw/zinc/77/59/70/553775970.db2.gz FXBGXHLSZLSHCK-UHFFFAOYSA-N 0 0 540.645 4.948 50 0 KJAARN COC(=O)c1cc(C)sc1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccncc1)CCCC3 ZINC000097946009 553775895 /nfs/dbraw/zinc/77/58/95/553775895.db2.gz WVOVDEHZFRLILU-UHFFFAOYSA-N 0 0 540.692 4.667 50 0 KJAARN COC(=O)c1c2c(sc1NC(=O)CSc1nc3sc(C)c(C)c3c(=O)n1Cc1cccnc1)CCC2 ZINC000097946013 553776009 /nfs/dbraw/zinc/77/60/09/553776009.db2.gz RROXINYOJNYBQT-UHFFFAOYSA-N 0 0 540.692 4.586 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CN2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)nc1C ZINC000097946048 553776172 /nfs/dbraw/zinc/77/61/72/553776172.db2.gz OHVNXFIVIYZBNS-UHFFFAOYSA-N 0 0 541.482 4.546 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946052 553776187 /nfs/dbraw/zinc/77/61/87/553776187.db2.gz SMPKBDMCYXZAQB-CRCYZHLCSA-N 0 0 593.057 4.646 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946054 553776197 /nfs/dbraw/zinc/77/61/97/553776197.db2.gz SMPKBDMCYXZAQB-FQKMCRJQSA-N 0 0 593.057 4.646 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097946151 553776945 /nfs/dbraw/zinc/77/69/45/553776945.db2.gz MRZISWDMVSMFQB-FBRKSOCZSA-N 0 0 582.707 4.721 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097946152 553776963 /nfs/dbraw/zinc/77/69/63/553776963.db2.gz MRZISWDMVSMFQB-ZPVURNRZSA-N 0 0 582.707 4.721 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000097946155 553776939 /nfs/dbraw/zinc/77/69/39/553776939.db2.gz HHJGMVDPOFJGQU-ZDQFFALBSA-N 0 0 540.707 4.826 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000097946156 553776965 /nfs/dbraw/zinc/77/69/65/553776965.db2.gz HHJGMVDPOFJGQU-QKSFETHESA-N 0 0 540.707 4.826 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000097946165 553777111 /nfs/dbraw/zinc/77/71/11/553777111.db2.gz GEGUHCAGVIQCRN-OXWVMCNISA-N 0 0 564.704 4.773 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000097946166 553777197 /nfs/dbraw/zinc/77/71/97/553777197.db2.gz GEGUHCAGVIQCRN-FHMSYZJOSA-N 0 0 564.704 4.773 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946231 553777627 /nfs/dbraw/zinc/77/76/27/553777627.db2.gz HCMYHYQTONFUIP-NXYYLBPMSA-N 0 0 634.714 4.503 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946232 553777671 /nfs/dbraw/zinc/77/76/71/553777671.db2.gz HCMYHYQTONFUIP-PEPUGYCWSA-N 0 0 634.714 4.503 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946237 553777634 /nfs/dbraw/zinc/77/76/34/553777634.db2.gz ZPVLJBWWELGWKC-JESJEVRBSA-N 0 0 648.741 4.893 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946238 553777687 /nfs/dbraw/zinc/77/76/87/553777687.db2.gz ZPVLJBWWELGWKC-HNVAQCFTSA-N 0 0 648.741 4.893 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946239 553777640 /nfs/dbraw/zinc/77/76/40/553777640.db2.gz PDCGMLNLMQNBRT-QYIOYSLNSA-N 0 0 655.132 4.848 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946240 553777674 /nfs/dbraw/zinc/77/76/74/553777674.db2.gz PDCGMLNLMQNBRT-MXLMUYMQSA-N 0 0 655.132 4.848 50 0 KJAARN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OCCC(C)C ZINC000097946241 553777698 /nfs/dbraw/zinc/77/76/98/553777698.db2.gz WTCZTVBQBWXHFR-OCDQFKQQSA-N 0 0 636.767 4.802 50 0 KJAARN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OCCC(C)C ZINC000097946242 553777677 /nfs/dbraw/zinc/77/76/77/553777677.db2.gz WTCZTVBQBWXHFR-OKMHPQNISA-N 0 0 636.767 4.802 50 0 KJAARN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097946256 553777890 /nfs/dbraw/zinc/77/78/90/553777890.db2.gz VEMOZFZCGWIQSE-VPHSIRQSSA-N 0 0 592.714 4.547 50 0 KJAARN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097946257 553777948 /nfs/dbraw/zinc/77/79/48/553777948.db2.gz VEMOZFZCGWIQSE-YVBHXKDBSA-N 0 0 592.714 4.547 50 0 KJAARN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000097946259 553777919 /nfs/dbraw/zinc/77/79/19/553777919.db2.gz PBDZJODOPNPKOA-TZUCAZQYSA-N 0 0 622.740 4.556 50 0 KJAARN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000097946260 553777892 /nfs/dbraw/zinc/77/78/92/553777892.db2.gz PBDZJODOPNPKOA-FJNIOPPGSA-N 0 0 622.740 4.556 50 0 KJAARN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OCc1ccccc1 ZINC000097946261 553777888 /nfs/dbraw/zinc/77/78/88/553777888.db2.gz IAOWYHIXMTUURZ-SXDQJOKOSA-N 0 0 656.757 4.956 50 0 KJAARN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OCc1ccccc1 ZINC000097946262 553777881 /nfs/dbraw/zinc/77/78/81/553777881.db2.gz IAOWYHIXMTUURZ-XZYZCHRKSA-N 0 0 656.757 4.956 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946276 553777951 /nfs/dbraw/zinc/77/79/51/553777951.db2.gz IYBSKAKNLRQYSO-PEPUGYCWSA-N 0 0 652.704 4.724 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946277 553778166 /nfs/dbraw/zinc/77/81/66/553778166.db2.gz IYBSKAKNLRQYSO-NXYYLBPMSA-N 0 0 652.704 4.724 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946280 553778202 /nfs/dbraw/zinc/77/82/02/553778202.db2.gz YOTMHEZFHHGAEV-QYIOYSLNSA-N 0 0 699.583 4.957 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946281 553778146 /nfs/dbraw/zinc/77/81/46/553778146.db2.gz YOTMHEZFHHGAEV-MXLMUYMQSA-N 0 0 699.583 4.957 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946282 553778147 /nfs/dbraw/zinc/77/81/47/553778147.db2.gz FXBPRGXWSWCPGR-OTHIGLTOSA-N 0 0 678.767 4.984 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946283 553778188 /nfs/dbraw/zinc/77/81/88/553778188.db2.gz FXBPRGXWSWCPGR-JBVGNYNVSA-N 0 0 678.767 4.984 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946284 553778200 /nfs/dbraw/zinc/77/82/00/553778200.db2.gz GUFUEILSEQVWSJ-JESJEVRBSA-N 0 0 664.740 4.594 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946285 553778151 /nfs/dbraw/zinc/77/81/51/553778151.db2.gz GUFUEILSEQVWSJ-HNVAQCFTSA-N 0 0 664.740 4.594 50 0 KJAARN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OCC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097946296 553778171 /nfs/dbraw/zinc/77/81/71/553778171.db2.gz SASPQYNUOAEXAZ-VPHSIRQSSA-N 0 0 592.714 4.547 50 0 KJAARN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OCC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097946297 553778158 /nfs/dbraw/zinc/77/81/58/553778158.db2.gz SASPQYNUOAEXAZ-YVBHXKDBSA-N 0 0 592.714 4.547 50 0 KJAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946362 553778722 /nfs/dbraw/zinc/77/87/22/553778722.db2.gz HZMBSDRTASCDCK-QYTZQGLJSA-N 0 0 600.693 4.535 50 0 KJAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946363 553778711 /nfs/dbraw/zinc/77/87/11/553778711.db2.gz HZMBSDRTASCDCK-RBRLEXCSSA-N 0 0 600.693 4.535 50 0 KJAARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5)cc4)c(=O)n32)ccc1OC(C)=O ZINC000097946407 553779006 /nfs/dbraw/zinc/77/90/06/553779006.db2.gz ARJULWCVKJDDFB-PNQAETMRSA-N 0 0 626.731 4.947 50 0 KJAARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5)cc4)c(=O)n32)ccc1OC(C)=O ZINC000097946408 553779029 /nfs/dbraw/zinc/77/90/29/553779029.db2.gz ARJULWCVKJDDFB-RIFKOAFWSA-N 0 0 626.731 4.947 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946413 553779306 /nfs/dbraw/zinc/77/93/06/553779306.db2.gz QFUVNZNNQZNZCW-KMCFWPMWSA-N 0 0 634.714 4.585 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946414 553779273 /nfs/dbraw/zinc/77/92/73/553779273.db2.gz QFUVNZNNQZNZCW-WGJPBTIMSA-N 0 0 634.714 4.585 50 0 KJAARN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OCC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097946419 553779311 /nfs/dbraw/zinc/77/93/11/553779311.db2.gz JELHVOIBESTZEA-SJXDCSIJSA-N 0 0 606.741 4.937 50 0 KJAARN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OCC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097946420 553779262 /nfs/dbraw/zinc/77/92/62/553779262.db2.gz JELHVOIBESTZEA-OBDCIHEFSA-N 0 0 606.741 4.937 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000097946421 553779258 /nfs/dbraw/zinc/77/92/58/553779258.db2.gz HPODIMJPGVUORH-OIUASMPBSA-N 0 0 636.767 4.946 50 0 KJAARN CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000097946422 553779255 /nfs/dbraw/zinc/77/92/55/553779255.db2.gz HPODIMJPGVUORH-QQMBNGEASA-N 0 0 636.767 4.946 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000097946459 553779517 /nfs/dbraw/zinc/77/95/17/553779517.db2.gz KRYROVVKHSLRLF-QFDNUGPTSA-N 0 0 552.681 4.631 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000097946460 553779511 /nfs/dbraw/zinc/77/95/11/553779511.db2.gz KRYROVVKHSLRLF-MZANGIHLSA-N 0 0 552.681 4.631 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000097946637 553780784 /nfs/dbraw/zinc/78/07/84/553780784.db2.gz KYIZBPOWWYHZOO-NTWBUQQASA-N 0 0 526.614 4.599 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000097946638 553780803 /nfs/dbraw/zinc/78/08/03/553780803.db2.gz KYIZBPOWWYHZOO-XKGHIZKOSA-N 0 0 526.614 4.599 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1C ZINC000097946680 553781066 /nfs/dbraw/zinc/78/10/66/553781066.db2.gz CSZMVROFLCJPNK-CEUNXORHSA-N 0 0 575.694 4.908 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1F ZINC000097946691 553781119 /nfs/dbraw/zinc/78/11/19/553781119.db2.gz RYVHOFCOMURSAO-VEILYXNESA-N 0 0 579.657 4.739 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1C ZINC000097946692 553781339 /nfs/dbraw/zinc/78/13/39/553781339.db2.gz OOIMNHMZPAGAEN-VEILYXNESA-N 0 0 561.667 4.518 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)c(C)c1 ZINC000097946693 553781349 /nfs/dbraw/zinc/78/13/49/553781349.db2.gz NUXNNMHNJUIFRW-CEUNXORHSA-N 0 0 575.694 4.908 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1F ZINC000097946722 553781369 /nfs/dbraw/zinc/78/13/69/553781369.db2.gz IHCMBVCMHSPEGS-RQAATEJQSA-N 0 0 521.577 4.870 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)c(C)c1 ZINC000097946738 553781669 /nfs/dbraw/zinc/78/16/69/553781669.db2.gz ISEGQOMEOYVGSR-CEUNXORHSA-N 0 0 591.693 4.608 50 0 KJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)cc1 ZINC000097946740 553781639 /nfs/dbraw/zinc/78/16/39/553781639.db2.gz YXJNMYNUVJTSSL-BRPDVVIDSA-N 0 0 591.693 4.690 50 0 KJAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OCC(C)C)c(C)c4)sc3nc2=O)cc1 ZINC000097946748 553781678 /nfs/dbraw/zinc/78/16/78/553781678.db2.gz FQUWDSXTRKCUES-YKQZZPSBSA-N 0 0 605.720 4.854 50 0 KJAARN COc1ccc(/C=C/c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccccc4)c(=O)n3n2)cc1OC ZINC000097946791 553781690 /nfs/dbraw/zinc/78/16/90/553781690.db2.gz WVPRPNXALTXSJP-KTJMJWFFSA-N 0 0 533.613 4.739 50 0 KJAARN CCOc1cc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)ccc1OCc1ccccc1 ZINC000097946792 553781573 /nfs/dbraw/zinc/78/15/73/553781573.db2.gz MGEGKDIVVLOFMK-SAMYGSEPSA-N 0 0 541.629 4.864 50 0 KJAARN COc1ccc(/C=C/c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(F)cc4)c(=O)n3n2)cc1OC ZINC000097946796 553781643 /nfs/dbraw/zinc/78/16/43/553781643.db2.gz GPHQMFJNNUUELM-ALEQPBEUSA-N 0 0 551.603 4.878 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1 ZINC000097946823 553781830 /nfs/dbraw/zinc/78/18/30/553781830.db2.gz RVAAALCRSXRDJE-NKJAKAMBSA-N 0 0 563.639 4.748 50 0 KJAARN Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)c1 ZINC000097946842 553781867 /nfs/dbraw/zinc/78/18/67/553781867.db2.gz LIFGSMJOMXHDIL-QQXSKIMKSA-N 0 0 552.059 4.773 50 0 KJAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OCCC(C)C)cc4)sc3nc2=O)cc1 ZINC000097946850 553782217 /nfs/dbraw/zinc/78/22/17/553782217.db2.gz OMWMEUYDUOAKNV-COEJQBHMSA-N 0 0 605.720 4.936 50 0 KJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)c(C)c1 ZINC000097946854 553782203 /nfs/dbraw/zinc/78/22/03/553782203.db2.gz GWXLXMGOTKTCMA-COEJQBHMSA-N 0 0 605.720 4.998 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947093 553783632 /nfs/dbraw/zinc/78/36/32/553783632.db2.gz OFSBTLGXSCNVLQ-OGEXXFCLSA-N 0 0 625.106 4.840 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947094 553783666 /nfs/dbraw/zinc/78/36/66/553783666.db2.gz OFSBTLGXSCNVLQ-KOBOZNMDSA-N 0 0 625.106 4.840 50 0 KJAARN Cc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(Br)cc4)sc3nc2=O)cc1 ZINC000097947225 553784697 /nfs/dbraw/zinc/78/46/97/553784697.db2.gz CYWMGMPBYRJUQH-XYGWBWBKSA-N 0 0 582.483 4.573 50 0 KJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 ZINC000097947320 553785189 /nfs/dbraw/zinc/78/51/89/553785189.db2.gz QGAPRMVGMNTUMN-USHMODERSA-N 0 0 579.657 4.820 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC ZINC000097947338 553785518 /nfs/dbraw/zinc/78/55/18/553785518.db2.gz IGUHHSSUYVCCRH-WDCYCYNXSA-N 0 0 533.613 4.739 50 0 KJAARN COC(=O)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(OC)cc4)c(=O)n32)cc1 ZINC000097947461 553786299 /nfs/dbraw/zinc/78/62/99/553786299.db2.gz QMSZUECDKTXZIV-WGJPBTIMSA-N 0 0 648.741 4.835 50 0 KJAARN COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(OC)cc4)c(=O)n32)cc1 ZINC000097947462 553786329 /nfs/dbraw/zinc/78/63/29/553786329.db2.gz QMSZUECDKTXZIV-KMCFWPMWSA-N 0 0 648.741 4.835 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097947495 553786831 /nfs/dbraw/zinc/78/68/31/553786831.db2.gz WOTHAYKLHDWWBL-VCLSCOGJSA-N 0 0 694.766 4.602 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097947496 553786796 /nfs/dbraw/zinc/78/67/96/553786796.db2.gz WOTHAYKLHDWWBL-TVRVIFGSSA-N 0 0 694.766 4.602 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097947541 553787076 /nfs/dbraw/zinc/78/70/76/553787076.db2.gz ZAEVQJBCNQVGRT-WGJPBTIMSA-N 0 0 634.714 4.585 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097947542 553787013 /nfs/dbraw/zinc/78/70/13/553787013.db2.gz ZAEVQJBCNQVGRT-KMCFWPMWSA-N 0 0 634.714 4.585 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097947543 553787055 /nfs/dbraw/zinc/78/70/55/553787055.db2.gz OETQFGLHKHPVLV-LRUGRNCASA-N 0 0 612.733 4.730 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000097947544 553787020 /nfs/dbraw/zinc/78/70/20/553787020.db2.gz OETQFGLHKHPVLV-FQWZWQHVSA-N 0 0 612.733 4.730 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947551 553787003 /nfs/dbraw/zinc/78/70/03/553787003.db2.gz DTCUTZMUNUPZBE-JOHYPREOSA-N 0 0 648.741 4.975 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947552 553787051 /nfs/dbraw/zinc/78/70/51/553787051.db2.gz DTCUTZMUNUPZBE-QZVQSRICSA-N 0 0 648.741 4.975 50 0 KJAARN CC(=O)Oc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000097947553 553787035 /nfs/dbraw/zinc/78/70/35/553787035.db2.gz BEHMFTUJPCKJJI-NWKGEQBZSA-N 0 0 589.895 4.528 50 0 KJAARN CC(=O)Oc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000097947554 553787064 /nfs/dbraw/zinc/78/70/64/553787064.db2.gz BEHMFTUJPCKJJI-YOKWNPFVSA-N 0 0 589.895 4.528 50 0 KJAARN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NCCN2CCOCC2)cc1 ZINC000097947560 553787008 /nfs/dbraw/zinc/78/70/08/553787008.db2.gz OZPCEVDEDFPZGJ-ULJHMMPZSA-N 0 0 528.436 4.781 50 0 KJAARN O=C(N/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccccc1 ZINC000097947569 553787340 /nfs/dbraw/zinc/78/73/40/553787340.db2.gz BXFAWIBQFMAOFJ-XHPQRKPJSA-N 0 0 557.448 4.932 50 0 KJAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097947603 553787561 /nfs/dbraw/zinc/78/75/61/553787561.db2.gz ZFVQOFRONMISRK-XXMKCSCWSA-N 0 0 613.475 4.544 50 0 KJAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097947604 553787549 /nfs/dbraw/zinc/78/75/49/553787549.db2.gz ZFVQOFRONMISRK-XSZPGNIMSA-N 0 0 613.475 4.544 50 0 KJAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000097947650 553787815 /nfs/dbraw/zinc/78/78/15/553787815.db2.gz UWYGGWWMRUCIEG-XXMKCSCWSA-N 0 0 569.466 4.992 50 0 KJAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000097947651 553787789 /nfs/dbraw/zinc/78/77/89/553787789.db2.gz UWYGGWWMRUCIEG-XSZPGNIMSA-N 0 0 569.466 4.992 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NCCCN2CCOCC2)cc1 ZINC000097947696 553788295 /nfs/dbraw/zinc/78/82/95/553788295.db2.gz OBBRNPMOUGHKII-BWAHOGKJSA-N 0 0 558.462 4.871 50 0 KJAARN O=C(NCCCN1CCOCC1)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccc(Cl)cc1 ZINC000097947697 553788279 /nfs/dbraw/zinc/78/82/79/553788279.db2.gz NXTMGNFQRIWURJ-MOHJPFBDSA-N 0 0 528.436 4.863 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097947699 553788344 /nfs/dbraw/zinc/78/83/44/553788344.db2.gz IENVHNVPWWCUQR-ZNRKBWGRSA-N 0 0 576.678 4.578 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097947700 553788291 /nfs/dbraw/zinc/78/82/91/553788291.db2.gz IENVHNVPWWCUQR-AHNSQEAUSA-N 0 0 576.678 4.578 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000097947701 553788241 /nfs/dbraw/zinc/78/82/41/553788241.db2.gz XPNANORKYSLKKW-YJADQXIJSA-N 0 0 524.520 4.687 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000097947702 553788349 /nfs/dbraw/zinc/78/83/49/553788349.db2.gz XPNANORKYSLKKW-XOYGFPHKSA-N 0 0 524.520 4.687 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NCCCn2ccnc2)cc1 ZINC000097947703 553788317 /nfs/dbraw/zinc/78/83/17/553788317.db2.gz LZVBCKHVNGNCOR-ANYBSYGZSA-N 0 0 546.631 4.722 50 0 KJAARN CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000097947804 553788877 /nfs/dbraw/zinc/78/88/77/553788877.db2.gz LYLBHEQMLXWXTO-UHFFFAOYSA-N 0 0 542.301 4.610 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000097947849 553789297 /nfs/dbraw/zinc/78/92/97/553789297.db2.gz ASGYBAIVTBTVBN-UHFFFAOYSA-N 0 0 543.736 4.912 50 0 KJAARN CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](CC)C4)c2C(N)=O)C1 ZINC000097947878 553789514 /nfs/dbraw/zinc/78/95/14/553789514.db2.gz SEZSJALNCORZIQ-HUUCEWRRSA-N 0 0 544.743 4.785 50 0 KJAARN CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](CC)C4)c2C(N)=O)C1 ZINC000097947879 553789458 /nfs/dbraw/zinc/78/94/58/553789458.db2.gz SEZSJALNCORZIQ-GASCZTMLSA-N 0 0 544.743 4.785 50 0 KJAARN CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](CC)C4)c2C(N)=O)C1 ZINC000097947880 553789424 /nfs/dbraw/zinc/78/94/24/553789424.db2.gz SEZSJALNCORZIQ-GJZGRUSLSA-N 0 0 544.743 4.785 50 0 KJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)c1 ZINC000097947884 553789462 /nfs/dbraw/zinc/78/94/62/553789462.db2.gz DTQPJWRCKHUJSR-UHFFFAOYSA-N 0 0 545.086 4.508 50 0 KJAARN COc1ccc(C(=O)[C@H](C)OC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000097947902 553789752 /nfs/dbraw/zinc/78/97/52/553789752.db2.gz RSRZYBVFZAECPW-NRFANRHFSA-N 0 0 545.588 4.967 50 0 KJAARN COc1ccc(C(=O)[C@@H](C)OC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000097947903 553789711 /nfs/dbraw/zinc/78/97/11/553789711.db2.gz RSRZYBVFZAECPW-OAQYLSRUSA-N 0 0 545.588 4.967 50 0 KJAARN CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C ZINC000097947916 553789755 /nfs/dbraw/zinc/78/97/55/553789755.db2.gz UEJHXCMDAKQMTQ-GVMLUORFSA-N 0 0 546.096 4.669 50 0 KJAARN CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C ZINC000097947917 553789778 /nfs/dbraw/zinc/78/97/78/553789778.db2.gz UEJHXCMDAKQMTQ-KMBIYUNPSA-N 0 0 546.096 4.669 50 0 KJAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cc(Br)ccc1Cl ZINC000097947978 553790206 /nfs/dbraw/zinc/79/02/06/553790206.db2.gz LLWFTTKXCVEHOX-UHFFFAOYSA-N 0 0 547.862 4.785 50 0 KJAARN CCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000097947987 553790218 /nfs/dbraw/zinc/79/02/18/553790218.db2.gz PMDSSVRTGVZBPD-LJQANCHMSA-N 0 0 548.134 4.949 50 0 KJAARN CCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000097947988 553790295 /nfs/dbraw/zinc/79/02/95/553790295.db2.gz PMDSSVRTGVZBPD-IBGZPJMESA-N 0 0 548.134 4.949 50 0 KJAARN CCCCOc1ccc(N2C(=O)C[C@@H](N(Cc3cn(C)nc3C)C(=S)Nc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000097948007 553790488 /nfs/dbraw/zinc/79/04/88/553790488.db2.gz IUYGOHBLNFIADE-AREMUKBSSA-N 0 0 548.713 4.505 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1 ZINC000097948065 553790925 /nfs/dbraw/zinc/79/09/25/553790925.db2.gz YVVPAYOGXAHTCA-UHFFFAOYSA-N 0 0 551.068 4.606 50 0 KJAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000097948079 553790916 /nfs/dbraw/zinc/79/09/16/553790916.db2.gz GWMHAXKNOIEUSC-UHFFFAOYSA-N 0 0 551.734 4.890 50 0 KJAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000097948089 553790972 /nfs/dbraw/zinc/79/09/72/553790972.db2.gz RZIVQRGJADPBPI-UHFFFAOYSA-N 0 0 551.979 4.923 50 0 KJAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000097948090 553790945 /nfs/dbraw/zinc/79/09/45/553790945.db2.gz YQDUMXZBPKJGAF-SFHVURJKSA-N 0 0 551.979 4.922 50 0 KJAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000097948091 553791263 /nfs/dbraw/zinc/79/12/63/553791263.db2.gz YQDUMXZBPKJGAF-GOSISDBHSA-N 0 0 551.979 4.922 50 0 KJAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)O[C@@H](C)C(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000097948092 553791259 /nfs/dbraw/zinc/79/12/59/553791259.db2.gz MIQCJFDQNDDJIW-SFHVURJKSA-N 0 0 551.979 4.922 50 0 KJAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)O[C@H](C)C(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000097948093 553791227 /nfs/dbraw/zinc/79/12/27/553791227.db2.gz MIQCJFDQNDDJIW-GOSISDBHSA-N 0 0 551.979 4.922 50 0 KJAARN COC(=O)c1c2c(sc1NC(=O)CN1CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC1)CCC2 ZINC000097948105 553791246 /nfs/dbraw/zinc/79/12/46/553791246.db2.gz WIOBQKGSQVBCMA-UHFFFAOYSA-N 0 0 552.505 4.941 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000097948138 553791535 /nfs/dbraw/zinc/79/15/35/553791535.db2.gz NFRZVMZFJWNBKP-SVDFFXBZSA-N 0 0 554.668 4.816 50 0 KJAARN Cc1cc(-c2nnc(SCC(=O)Nc3sc4c(c3C(=O)OC(C)C)CCCC4)n2Cc2ccco2)nn1C ZINC000097948143 553791429 /nfs/dbraw/zinc/79/14/29/553791429.db2.gz OWWULBGOWVJERD-UHFFFAOYSA-N 0 0 554.698 4.865 50 0 KJAARN CCOc1cc(C(=O)N2CCN(C(=O)c3cc(OCC)c(OCC)c(OCC)c3)CC2)cc(OCC)c1OCC ZINC000097948228 553792224 /nfs/dbraw/zinc/79/22/24/553792224.db2.gz LNRIDYNNHNICCR-UHFFFAOYSA-N 0 0 558.672 4.677 50 0 KJAARN COC(=O)c1sc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2C)c(C(=O)OC)c1C ZINC000097948279 553792604 /nfs/dbraw/zinc/79/26/04/553792604.db2.gz SIUNDXICQBBRCP-OAHLLOKOSA-N 0 0 560.698 4.927 50 0 KJAARN COC(=O)c1sc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(C(C)(C)C)cc3)n2C)c(C(=O)OC)c1C ZINC000097948280 553792543 /nfs/dbraw/zinc/79/25/43/553792543.db2.gz SIUNDXICQBBRCP-HNNXBMFYSA-N 0 0 560.698 4.927 50 0 KJAARN NC(=O)c1c2c(sc1NC(=O)CCSCCC(=O)Nc1sc3c(c1C(N)=O)CCCCC3)CCCCC2 ZINC000097948313 553792894 /nfs/dbraw/zinc/79/28/94/553792894.db2.gz FKFOMPMITWMQPG-UHFFFAOYSA-N 0 0 562.783 4.636 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2OC)c1 ZINC000097948371 553793342 /nfs/dbraw/zinc/79/33/42/553793342.db2.gz ZNOSXRZPSGMRFI-UHFFFAOYSA-N 0 0 566.452 4.849 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000097948372 553793331 /nfs/dbraw/zinc/79/33/31/553793331.db2.gz YVQFXIVIGMOKOB-UHFFFAOYSA-N 0 0 566.452 4.606 50 0 KJAARN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000097948373 553793423 /nfs/dbraw/zinc/79/34/23/553793423.db2.gz UPVIVCSHYIYLHF-UHFFFAOYSA-N 0 0 566.452 4.849 50 0 KJAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000097948374 553793339 /nfs/dbraw/zinc/79/33/39/553793339.db2.gz VLUZFDSXVQULCC-UHFFFAOYSA-N 0 0 566.452 4.767 50 0 KJAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000097948453 553793854 /nfs/dbraw/zinc/79/38/54/553793854.db2.gz SYONDKVPJIGJQP-UHFFFAOYSA-N 0 0 571.486 4.869 50 0 KJAARN CCn1c(SCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000097948459 553794115 /nfs/dbraw/zinc/79/41/15/553794115.db2.gz PXCMYBFIBCUGLU-UHFFFAOYSA-N 0 0 571.725 4.876 50 0 KJAARN CCOc1cc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(=O)c3ccccc3)CC2)cc(OCC)c1OCC ZINC000097948502 553794392 /nfs/dbraw/zinc/79/43/92/553794392.db2.gz KZAIPYWIQNPRSR-UHFFFAOYSA-N 0 0 575.662 4.884 50 0 KJAARN CCn1nc(C)c(N(S(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)c1C ZINC000097948519 553794414 /nfs/dbraw/zinc/79/44/14/553794414.db2.gz HREZYJWXIMAPRP-UHFFFAOYSA-N 0 0 577.320 4.629 50 0 KJAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)OCC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000097948584 553794992 /nfs/dbraw/zinc/79/49/92/553794992.db2.gz DEDMXLGZRKKZFC-UHFFFAOYSA-N 0 0 582.403 4.642 50 0 KJAARN CCn1cc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCN(Cc4cccc(Br)c4)CC3)n2)c(C)n1 ZINC000097948593 553795236 /nfs/dbraw/zinc/79/52/36/553795236.db2.gz HNRSTWJYGLAXQH-UHFFFAOYSA-N 0 0 583.478 4.886 50 0 KJAARN O=C(CN1CCN(C(=O)[C@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1)Nc1ccccc1 ZINC000097948596 553795245 /nfs/dbraw/zinc/79/52/45/553795245.db2.gz LLSCGQCWWPAFQN-DEOSSOPVSA-N 0 0 584.120 4.848 50 0 KJAARN O=C(CN1CCN(C(=O)[C@@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1)Nc1ccccc1 ZINC000097948597 553795262 /nfs/dbraw/zinc/79/52/62/553795262.db2.gz LLSCGQCWWPAFQN-XMMPIXPASA-N 0 0 584.120 4.848 50 0 KJAARN COC(=O)c1sc(NC(=O)CN2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)c(C(=O)OC)c1C ZINC000097948598 553795197 /nfs/dbraw/zinc/79/51/97/553795197.db2.gz UUWIRENRLKQKFS-UHFFFAOYSA-N 0 0 584.503 4.548 50 0 KJAARN C[C@@H]1CCc2c(sc(NC(=O)NCCCCCCNC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)c2C(N)=O)C1 ZINC000097948639 553795516 /nfs/dbraw/zinc/79/55/16/553795516.db2.gz HDKJNWZGLUTLOU-HZPDHXFCSA-N 0 0 588.800 4.761 50 0 KJAARN C[C@@H]1CCc2c(sc(NC(=O)NCCCCCCNC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)c2C(N)=O)C1 ZINC000097948640 553795515 /nfs/dbraw/zinc/79/55/15/553795515.db2.gz HDKJNWZGLUTLOU-IYBDPMFKSA-N 0 0 588.800 4.761 50 0 KJAARN C[C@H]1CCc2c(sc(NC(=O)NCCCCCCNC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)c2C(N)=O)C1 ZINC000097948641 553795548 /nfs/dbraw/zinc/79/55/48/553795548.db2.gz HDKJNWZGLUTLOU-HOTGVXAUSA-N 0 0 588.800 4.761 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)Nc2cnn(Cn3cc(NC(=S)Nc4ccc(C(=O)OCC)cc4)cn3)c2)cc1 ZINC000097948682 553795855 /nfs/dbraw/zinc/79/58/55/553795855.db2.gz PDOZOPCVEOUWSY-UHFFFAOYSA-N 0 0 592.707 4.557 50 0 KJAARN COC(=O)c1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C(=O)OC)c3)cc(C(=O)Nc3cccc(C(=O)OC)c3)c2)c1 ZINC000097948871 553797419 /nfs/dbraw/zinc/79/74/19/553797419.db2.gz CPXMSRSBLIMRBR-UHFFFAOYSA-N 0 0 609.591 4.803 50 0 KJAARN COc1ccc(CCNC(=O)c2cc(C(=O)NCCc3ccc(OC)cc3)cc(C(=O)NCCc3ccc(OC)cc3)c2)cc1 ZINC000097948873 553797451 /nfs/dbraw/zinc/79/74/51/553797451.db2.gz KRVFTGKCJHICCA-UHFFFAOYSA-N 0 0 609.723 4.630 50 0 KJAARN Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1C ZINC000097949061 553799006 /nfs/dbraw/zinc/79/90/06/553799006.db2.gz DMBNLZNJUQVIFV-DQXSBBCTSA-N 0 0 637.324 4.935 50 0 KJAARN Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1C ZINC000097949062 553799075 /nfs/dbraw/zinc/79/90/75/553799075.db2.gz DMBNLZNJUQVIFV-CCSVULQMSA-N 0 0 637.324 4.935 50 0 KJAARN Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1C ZINC000097949063 553798944 /nfs/dbraw/zinc/79/89/44/553798944.db2.gz DMBNLZNJUQVIFV-LGAXSRDJSA-N 0 0 637.324 4.935 50 0 KJAARN O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1 ZINC000097949367 553801699 /nfs/dbraw/zinc/80/16/99/553801699.db2.gz SXHQLPHDBLTFPM-UHFFFAOYSA-N 0 0 549.420 4.722 50 0 in-vitro KJAARN CCOC(=O)c1ccc(NC(=O)C(=Cc2ccc(OC)c(OC)c2)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000097949806 553803197 /nfs/dbraw/zinc/80/31/97/553803197.db2.gz SHQSCJJXLVFJAC-UHFFFAOYSA-N 0 0 546.576 4.718 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1n[nH]c(-c3cc(Br)ccc3O)n1)CCCC2 ZINC000097950082 553803435 /nfs/dbraw/zinc/80/34/35/553803435.db2.gz SZXQDSXXSASVMA-UHFFFAOYSA-N 0 0 537.461 4.788 50 0 KJAARN COc1cc(CNC(=O)c2c(N)n(-c3ccc(Br)cc3)c3nc4ccccc4nc32)cc(OC)c1 ZINC000097950343 553803972 /nfs/dbraw/zinc/80/39/72/553803972.db2.gz XBJQJCOEAJVJEF-UHFFFAOYSA-N 0 0 532.398 4.866 50 0 KJAARN COc1ccc(CNC(=O)c2c(N)n(-c3ccc(I)cc3)c3nc4ccccc4nc32)cc1 ZINC000097950350 553804025 /nfs/dbraw/zinc/80/40/25/553804025.db2.gz XGHOBQMDVHQIGM-UHFFFAOYSA-N 0 0 549.372 4.699 50 0 KJAARN CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)c4ccc(Cl)cc4)n32)C1 ZINC000097950369 553804271 /nfs/dbraw/zinc/80/42/71/553804271.db2.gz KAOFUVBDRFCLMA-UHFFFAOYSA-N 0 0 522.055 4.711 50 0 KJAARN CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000097950446 553804282 /nfs/dbraw/zinc/80/42/82/553804282.db2.gz CUNIPVKYNGPSAV-FCYPAOMHSA-N 0 0 530.049 4.926 50 0 KJAARN CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000097950447 553804307 /nfs/dbraw/zinc/80/43/07/553804307.db2.gz CUNIPVKYNGPSAV-KDSDTBODSA-N 0 0 530.049 4.926 50 0 KJAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)NCCCCCCCNC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000097950527 553804513 /nfs/dbraw/zinc/80/45/13/553804513.db2.gz JFSKIUKKDAQGHJ-UHFFFAOYSA-N 0 0 616.759 4.883 50 0 KJAARN O=C(NCCCCCCNC(=O)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000097950586 553804733 /nfs/dbraw/zinc/80/47/33/553804733.db2.gz MUHWTPLQIIOTOO-MEKGRNQZSA-N 0 0 642.712 4.854 50 0 KJAARN O=C(NCCCCCCNC(=O)[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000097950587 553804768 /nfs/dbraw/zinc/80/47/68/553804768.db2.gz MUHWTPLQIIOTOO-ROJLCIKYSA-N 0 0 642.712 4.854 50 0 KJAARN O=C(NCCCCCCNC(=O)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000097950588 553804765 /nfs/dbraw/zinc/80/47/65/553804765.db2.gz MUHWTPLQIIOTOO-ACHIHNKUSA-N 0 0 642.712 4.854 50 0 KJAARN CC(=O)N[C@@H](NC(=S)Nc1cc(C)c(Br)cc1Br)C(Cl)(Cl)Cl ZINC000097950637 553805030 /nfs/dbraw/zinc/80/50/30/553805030.db2.gz HAJGPHUIXLIZFM-JTQLQIEISA-N 0 0 512.482 4.639 50 0 KJAARN CC(=O)N[C@H](NC(=S)Nc1cc(C)c(Br)cc1Br)C(Cl)(Cl)Cl ZINC000097950638 553805021 /nfs/dbraw/zinc/80/50/21/553805021.db2.gz HAJGPHUIXLIZFM-SNVBAGLBSA-N 0 0 512.482 4.639 50 0 KJAARN CC(=O)N[C@@H](NC(=S)Nc1c(C)cc(Br)cc1Br)C(Cl)(Cl)Cl ZINC000097950663 553805272 /nfs/dbraw/zinc/80/52/72/553805272.db2.gz HDZQTZAYQPOSFD-JTQLQIEISA-N 0 0 512.482 4.639 50 0 KJAARN CC(=O)N[C@H](NC(=S)Nc1c(C)cc(Br)cc1Br)C(Cl)(Cl)Cl ZINC000097950664 553805279 /nfs/dbraw/zinc/80/52/79/553805279.db2.gz HDZQTZAYQPOSFD-SNVBAGLBSA-N 0 0 512.482 4.639 50 0 KJAARN CC(=O)N[C@@H](NC(=S)Nc1c(Br)cc(C)cc1Br)C(Cl)(Cl)Cl ZINC000097950669 553805306 /nfs/dbraw/zinc/80/53/06/553805306.db2.gz IFGGDKHQBGDOHV-JTQLQIEISA-N 0 0 512.482 4.639 50 0 KJAARN CC(=O)N[C@H](NC(=S)Nc1c(Br)cc(C)cc1Br)C(Cl)(Cl)Cl ZINC000097950670 553805311 /nfs/dbraw/zinc/80/53/11/553805311.db2.gz IFGGDKHQBGDOHV-SNVBAGLBSA-N 0 0 512.482 4.639 50 0 KJAARN CCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950673 553805282 /nfs/dbraw/zinc/80/52/82/553805282.db2.gz CEKFAFLZGRPWDA-CYBMUJFWSA-N 0 0 522.667 4.970 50 0 KJAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950674 553805219 /nfs/dbraw/zinc/80/52/19/553805219.db2.gz CEKFAFLZGRPWDA-ZDUSSCGKSA-N 0 0 522.667 4.970 50 0 KJAARN Cc1c(NC(=S)N[C@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000097950828 553805747 /nfs/dbraw/zinc/80/57/47/553805747.db2.gz SSMJJBPZNWHKEP-IBGZPJMESA-N 0 0 591.746 4.660 50 0 KJAARN Cc1c(NC(=S)N[C@@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000097950829 553805675 /nfs/dbraw/zinc/80/56/75/553805675.db2.gz SSMJJBPZNWHKEP-LJQANCHMSA-N 0 0 591.746 4.660 50 0 KJAARN CCOC(=O)c1sc(N[C@H](NC(=O)c2ccc(OC)cc2)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C ZINC000097950961 553806314 /nfs/dbraw/zinc/80/63/14/553806314.db2.gz PDCCPSFHKAVBQH-FQEVSTJZSA-N 0 0 537.849 4.957 50 0 KJAARN CCOC(=O)c1sc(N[C@@H](NC(=O)c2ccc(OC)cc2)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C ZINC000097950962 553806288 /nfs/dbraw/zinc/80/62/88/553806288.db2.gz PDCCPSFHKAVBQH-HXUWFJFHSA-N 0 0 537.849 4.957 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)N(CCc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097951020 553806527 /nfs/dbraw/zinc/80/65/27/553806527.db2.gz SKVXMINHOBLOGN-XMMPIXPASA-N 0 0 533.650 4.594 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3)N(CCc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097951021 553806493 /nfs/dbraw/zinc/80/64/93/553806493.db2.gz SKVXMINHOBLOGN-DEOSSOPVSA-N 0 0 533.650 4.594 50 0 KJAARN COc1cc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)ccc1OCc1ccccc1 ZINC000097951072 553807059 /nfs/dbraw/zinc/80/70/59/553807059.db2.gz LUTGJOBJGVOAMD-HMAPJEAMSA-N 0 0 520.408 4.716 50 0 KJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 ZINC000097951088 553807058 /nfs/dbraw/zinc/80/70/58/553807058.db2.gz UZOVRAGKUIDBFP-XHPQRKPJSA-N 0 0 547.640 4.758 50 0 KJAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000097951093 553806988 /nfs/dbraw/zinc/80/69/88/553806988.db2.gz JYNRWUAJNOTIRF-HNNXBMFYSA-N 0 0 533.854 4.828 50 0 KJAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000097951094 553807041 /nfs/dbraw/zinc/80/70/41/553807041.db2.gz JYNRWUAJNOTIRF-OAHLLOKOSA-N 0 0 533.854 4.828 50 0 KJAARN Cc1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)cc1 ZINC000097951152 553807256 /nfs/dbraw/zinc/80/72/56/553807256.db2.gz PGXXSWYPSJOWTC-UHFFFAOYSA-N 0 0 535.695 4.967 50 0 KJAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)ccc1OC(C)C ZINC000097951222 553807780 /nfs/dbraw/zinc/80/77/80/553807780.db2.gz PPHUWKZRQKQCEP-ONUIUJJFSA-N 0 0 547.640 4.674 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097951301 553808101 /nfs/dbraw/zinc/80/81/01/553808101.db2.gz UYMURQWPKQSSJI-DEOSSOPVSA-N 0 0 533.650 4.594 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097951302 553808130 /nfs/dbraw/zinc/80/81/30/553808130.db2.gz UYMURQWPKQSSJI-XMMPIXPASA-N 0 0 533.650 4.594 50 0 KJAARN Cn1c2nc3n(cc(-c4ccc(Br)cc4)n3CCC34CC5CC(CC(C5)C3)C4)c2c(=O)n(C)c1=O ZINC000097951353 553808541 /nfs/dbraw/zinc/80/85/41/553808541.db2.gz TUDVTTVANOMJDB-UHFFFAOYSA-N 0 0 536.474 4.722 50 0 KJAARN O=C1C[C@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(Br)c(Cl)c1 ZINC000097951371 553808558 /nfs/dbraw/zinc/80/85/58/553808558.db2.gz SHBIECSUXDEXGJ-SFHVURJKSA-N 0 0 517.638 4.863 50 0 KJAARN Cc1ccccc1NC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000097951438 553809009 /nfs/dbraw/zinc/80/90/09/553809009.db2.gz RLBXARGBRBISIT-UHFFFAOYSA-N 0 0 535.695 4.967 50 0 KJAARN COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)cc1Br ZINC000097951499 553809419 /nfs/dbraw/zinc/80/94/19/553809419.db2.gz KFWZNRXAJKHVET-UHFFFAOYSA-N 0 0 531.472 4.562 50 0 KJAARN CN(C(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3)c1ccccc1 ZINC000097951546 553809706 /nfs/dbraw/zinc/80/97/06/553809706.db2.gz NQGLGJHAXFBRQR-UHFFFAOYSA-N 0 0 535.695 4.683 50 0 KJAARN CNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)c3ccccc32)ccc1OC ZINC000097951704 553810883 /nfs/dbraw/zinc/81/08/83/553810883.db2.gz JCPBSDHRECZPSI-UHFFFAOYSA-N 0 0 545.665 4.892 50 0 KJAARN CC(C)COc1ccc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000097951732 553810855 /nfs/dbraw/zinc/81/08/55/553810855.db2.gz FGAGTSLEJPXHIC-UHFFFAOYSA-N 0 0 540.748 4.573 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1N[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000097951849 553811787 /nfs/dbraw/zinc/81/17/87/553811787.db2.gz URASSCQMSZDPEH-QHCPKHFHSA-N 0 0 526.567 4.792 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1N[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000097951850 553811729 /nfs/dbraw/zinc/81/17/29/553811729.db2.gz URASSCQMSZDPEH-HSZRJFAPSA-N 0 0 526.567 4.792 50 0 KJAARN Cc1ccc(-n2c(SCCN3C(=O)c4ccccc4C3=O)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000097951950 553812270 /nfs/dbraw/zinc/81/22/70/553812270.db2.gz DBFQHBAKCHHTNY-UHFFFAOYSA-N 0 0 531.659 4.995 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097951985 553812303 /nfs/dbraw/zinc/81/23/03/553812303.db2.gz YSMBANQSZDCXQI-DEOSSOPVSA-N 0 0 533.650 4.676 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097951986 553812322 /nfs/dbraw/zinc/81/23/22/553812322.db2.gz YSMBANQSZDCXQI-XMMPIXPASA-N 0 0 533.650 4.676 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3ccccc3)C(=S)N2CCc2ccc(Cl)cc2)cc1 ZINC000097951987 553812307 /nfs/dbraw/zinc/81/23/07/553812307.db2.gz OPMPRVXDPUKFFB-RUZDIDTESA-N 0 0 550.080 4.738 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C(=S)N2CCc2ccc(Cl)cc2)cc1 ZINC000097951988 553812564 /nfs/dbraw/zinc/81/25/64/553812564.db2.gz OPMPRVXDPUKFFB-VWLOTQADSA-N 0 0 550.080 4.738 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3ccc(F)cc3)C2=S)cc1 ZINC000097951989 553812497 /nfs/dbraw/zinc/81/24/97/553812497.db2.gz ZGPPERYEJPTNLE-VWLOTQADSA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3ccc(F)cc3)C2=S)cc1 ZINC000097951990 553812502 /nfs/dbraw/zinc/81/25/02/553812502.db2.gz ZGPPERYEJPTNLE-RUZDIDTESA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCc3ccc(OC)cc3)C2=S)cc1 ZINC000097951998 553812546 /nfs/dbraw/zinc/81/25/46/553812546.db2.gz UAPXXCXUGKXKEI-VWLOTQADSA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCc3ccc(OC)cc3)C2=S)cc1 ZINC000097951999 553812541 /nfs/dbraw/zinc/81/25/41/553812541.db2.gz UAPXXCXUGKXKEI-RUZDIDTESA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(Cc3ccc(F)cc3)C2=S)cc1 ZINC000097952004 553812507 /nfs/dbraw/zinc/81/25/07/553812507.db2.gz VFQMWZWWYORHEA-RUZDIDTESA-N 0 0 549.624 4.932 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(Cc3ccc(F)cc3)C2=S)cc1 ZINC000097952005 553812553 /nfs/dbraw/zinc/81/25/53/553812553.db2.gz VFQMWZWWYORHEA-VWLOTQADSA-N 0 0 549.624 4.932 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(Cc3ccc(F)cc3)C2=S)cc1 ZINC000097952008 553812561 /nfs/dbraw/zinc/81/25/61/553812561.db2.gz KFCJOTYDIZLILC-DEOSSOPVSA-N 0 0 535.597 4.542 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(Cc3ccc(F)cc3)C2=S)cc1 ZINC000097952009 553812522 /nfs/dbraw/zinc/81/25/22/553812522.db2.gz KFCJOTYDIZLILC-XMMPIXPASA-N 0 0 535.597 4.542 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCc2ccccc2)cc1 ZINC000097952016 553812504 /nfs/dbraw/zinc/81/25/04/553812504.db2.gz VFTIPFLNDXADKE-SANMLTNESA-N 0 0 545.661 4.836 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCc2ccccc2)cc1 ZINC000097952017 553812550 /nfs/dbraw/zinc/81/25/50/553812550.db2.gz VFTIPFLNDXADKE-AREMUKBSSA-N 0 0 545.661 4.836 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(Cl)cc2)cc1 ZINC000097952041 553812824 /nfs/dbraw/zinc/81/28/24/553812824.db2.gz BFLPGVCLNQTRIH-JOCHJYFZSA-N 0 0 525.989 4.797 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(Cl)cc2)cc1 ZINC000097952042 553812758 /nfs/dbraw/zinc/81/27/58/553812758.db2.gz BFLPGVCLNQTRIH-QFIPXVFZSA-N 0 0 525.989 4.797 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3C)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097952045 553812845 /nfs/dbraw/zinc/81/28/45/553812845.db2.gz QMAGYDUZEYDPCB-XMMPIXPASA-N 0 0 533.650 4.860 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097952046 553812843 /nfs/dbraw/zinc/81/28/43/553812843.db2.gz QMAGYDUZEYDPCB-DEOSSOPVSA-N 0 0 533.650 4.860 50 0 KJAARN COc1cccc(C(=O)NN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)c1 ZINC000097952054 553812833 /nfs/dbraw/zinc/81/28/33/553812833.db2.gz QJIXCITZCUFWBO-OAQYLSRUSA-N 0 0 543.432 4.678 50 0 KJAARN COc1cccc(C(=O)NN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)c1 ZINC000097952055 553812792 /nfs/dbraw/zinc/81/27/92/553812792.db2.gz QJIXCITZCUFWBO-NRFANRHFSA-N 0 0 543.432 4.678 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000097952066 553812991 /nfs/dbraw/zinc/81/29/91/553812991.db2.gz OMLHUEUATRNPMV-XMMPIXPASA-N 0 0 537.588 4.715 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000097952067 553813023 /nfs/dbraw/zinc/81/30/23/553813023.db2.gz OMLHUEUATRNPMV-DEOSSOPVSA-N 0 0 537.588 4.715 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097952068 553813015 /nfs/dbraw/zinc/81/30/15/553813015.db2.gz SKYIOJGJTFZZME-HXUWFJFHSA-N 0 0 547.530 4.791 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097952069 553813000 /nfs/dbraw/zinc/81/30/00/553813000.db2.gz SKYIOJGJTFZZME-FQEVSTJZSA-N 0 0 547.530 4.791 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000097952070 553812935 /nfs/dbraw/zinc/81/29/35/553812935.db2.gz PGWWHFDWXHVVAI-RUZDIDTESA-N 0 0 533.625 4.572 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000097952071 553812973 /nfs/dbraw/zinc/81/29/73/553812973.db2.gz PGWWHFDWXHVVAI-VWLOTQADSA-N 0 0 533.625 4.572 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3Cl)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097952085 553812978 /nfs/dbraw/zinc/81/29/78/553812978.db2.gz HMDYIOICJYMFRJ-QFIPXVFZSA-N 0 0 540.041 4.897 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3Cl)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097952086 553812986 /nfs/dbraw/zinc/81/29/86/553812986.db2.gz HMDYIOICJYMFRJ-JOCHJYFZSA-N 0 0 540.041 4.897 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097952092 553812987 /nfs/dbraw/zinc/81/29/87/553812987.db2.gz RPYYRFQPZPWYEE-QFIPXVFZSA-N 0 0 540.041 4.897 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097952093 553813264 /nfs/dbraw/zinc/81/32/64/553813264.db2.gz RPYYRFQPZPWYEE-JOCHJYFZSA-N 0 0 540.041 4.897 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097952103 553813229 /nfs/dbraw/zinc/81/32/29/553813229.db2.gz OPIBTPKIWBDZRL-QFIPXVFZSA-N 0 0 540.041 4.897 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097952104 553813297 /nfs/dbraw/zinc/81/32/97/553813297.db2.gz OPIBTPKIWBDZRL-JOCHJYFZSA-N 0 0 540.041 4.897 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097952117 553813307 /nfs/dbraw/zinc/81/33/07/553813307.db2.gz AURTXVQGTHORPQ-HXUWFJFHSA-N 0 0 531.531 4.778 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097952118 553813183 /nfs/dbraw/zinc/81/31/83/553813183.db2.gz AURTXVQGTHORPQ-FQEVSTJZSA-N 0 0 531.531 4.778 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(OC)cc3)C2=S)cc1 ZINC000097952122 553813311 /nfs/dbraw/zinc/81/33/11/553813311.db2.gz YCUUIPHDMXGDHW-DEOSSOPVSA-N 0 0 535.597 4.542 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(OC)cc3)C2=S)cc1 ZINC000097952123 553813296 /nfs/dbraw/zinc/81/32/96/553813296.db2.gz YCUUIPHDMXGDHW-XMMPIXPASA-N 0 0 535.597 4.542 50 0 KJAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@@H]1c1cccc(Cl)c1Cl ZINC000097952346 553815199 /nfs/dbraw/zinc/81/51/99/553815199.db2.gz CVGIVKSSSONYIB-NRFANRHFSA-N 0 0 545.419 4.591 50 0 KJAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1cccc(Cl)c1Cl ZINC000097952347 553815129 /nfs/dbraw/zinc/81/51/29/553815129.db2.gz CVGIVKSSSONYIB-OAQYLSRUSA-N 0 0 545.419 4.591 50 0 KJAARN C[C@@H](Cc1ccccc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCCC3 ZINC000097952361 553815444 /nfs/dbraw/zinc/81/54/44/553815444.db2.gz AKCNGXJTVVIJBV-SFHVURJKSA-N 0 0 529.691 4.813 50 0 KJAARN C[C@H](Cc1ccccc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCCC3 ZINC000097952362 553815462 /nfs/dbraw/zinc/81/54/62/553815462.db2.gz AKCNGXJTVVIJBV-GOSISDBHSA-N 0 0 529.691 4.813 50 0 KJAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097952597 553817023 /nfs/dbraw/zinc/81/70/23/553817023.db2.gz IXRHMLKURWCHPQ-MRXNPFEDSA-N 0 0 548.562 4.530 50 0 KJAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097952598 553817044 /nfs/dbraw/zinc/81/70/44/553817044.db2.gz IXRHMLKURWCHPQ-INIZCTEOSA-N 0 0 548.562 4.530 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CCCC4)c(OC)c1 ZINC000097952683 553817782 /nfs/dbraw/zinc/81/77/82/553817782.db2.gz DWBPEAJGCQTSTO-UHFFFAOYSA-N 0 0 547.662 4.722 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000097952996 553818476 /nfs/dbraw/zinc/81/84/76/553818476.db2.gz GBKBVJYCLSCPRX-UHFFFAOYSA-N 0 0 548.690 4.767 50 0 KJAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccccc5Br)nn4c3=O)o2)cc1 ZINC000097953009 553818447 /nfs/dbraw/zinc/81/84/47/553818447.db2.gz NBTDOEFZITZBNV-MOSHPQCFSA-N 0 0 522.380 4.565 50 0 KJAARN CC(=O)c1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3cccc(Cl)c3)c2=O)CC(C)(C)OC4)cc1 ZINC000097953930 553819939 /nfs/dbraw/zinc/81/99/39/553819939.db2.gz VOBDCEHXMDHGCO-UHFFFAOYSA-N 0 0 538.025 4.560 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCN(C)C4)cc1 ZINC000097953961 553820468 /nfs/dbraw/zinc/82/04/68/553820468.db2.gz UXJAJZAYVOUJOG-UHFFFAOYSA-N 0 0 527.071 4.828 50 0 KJAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(Cl)cc2)sc2c3CCN(C)C2)cc1 ZINC000097953999 553820612 /nfs/dbraw/zinc/82/06/12/553820612.db2.gz ANUWRMUVPDBDLP-UHFFFAOYSA-N 0 0 527.071 4.828 50 0 KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954126 553821636 /nfs/dbraw/zinc/82/16/36/553821636.db2.gz PZHYBGUBOYUARH-ZONZVBGPSA-N 0 0 544.560 4.645 50 0 KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954127 553821664 /nfs/dbraw/zinc/82/16/64/553821664.db2.gz PZHYBGUBOYUARH-KWXIBIRDSA-N 0 0 544.560 4.645 50 0 KJAARN CCn1c2nnc(SCC(=O)Nc3ccc(C)cc3)n2c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000097954199 553821914 /nfs/dbraw/zinc/82/19/14/553821914.db2.gz AMHCIINPQPCGMN-UHFFFAOYSA-N 0 0 544.706 4.723 50 0 KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954228 553822327 /nfs/dbraw/zinc/82/23/27/553822327.db2.gz HIWDNABESQCEPP-KWXIBIRDSA-N 0 0 544.560 4.645 50 0 KJAARN COc1ccc(CCNc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)cc1OC ZINC000097954234 553822260 /nfs/dbraw/zinc/82/22/60/553822260.db2.gz DZFBVULFUPHSOS-UHFFFAOYSA-N 0 0 535.670 4.599 50 0 KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000097954257 553822629 /nfs/dbraw/zinc/82/26/29/553822629.db2.gz GZQFZDNPGFECFD-KWXIBIRDSA-N 0 0 526.570 4.505 50 0 KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000097954380 553822870 /nfs/dbraw/zinc/82/28/70/553822870.db2.gz MNBFKRRRPRIYNW-KWXIBIRDSA-N 0 0 526.570 4.505 50 0 KJAARN CCOC(=O)c1c(N)n(-c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c2nc3ccccc3nc21 ZINC000097954461 553823135 /nfs/dbraw/zinc/82/31/35/553823135.db2.gz QGMBDFAGVLWBGN-UHFFFAOYSA-N 0 0 541.564 4.611 50 0 KJAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)ccc1O ZINC000097954575 553824171 /nfs/dbraw/zinc/82/41/71/553824171.db2.gz CTCQFSBMMNVBBQ-BDTNDASRSA-N 0 0 529.774 4.868 50 0 KJAARN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000097954628 553824451 /nfs/dbraw/zinc/82/44/51/553824451.db2.gz AKCCIBWMJXTXSV-LJAQVGFWSA-N 0 0 547.055 4.962 50 0 KJAARN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000097954629 553824408 /nfs/dbraw/zinc/82/44/08/553824408.db2.gz AKCCIBWMJXTXSV-GDLZYMKVSA-N 0 0 547.055 4.962 50 0 KJAARN COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000097954641 553824444 /nfs/dbraw/zinc/82/44/44/553824444.db2.gz PXHSXXUPXFGWPL-NHKHRBQYSA-N 0 0 534.568 4.961 50 0 KJAARN CCN(CC)C(=O)CSc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000097954643 553824430 /nfs/dbraw/zinc/82/44/30/553824430.db2.gz WEFUCTRLVGOMGP-UHFFFAOYSA-N 0 0 547.772 4.610 50 0 KJAARN CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nnc(SCC(=O)c4ccccc4)n32)C1 ZINC000097954837 553825600 /nfs/dbraw/zinc/82/56/00/553825600.db2.gz XXTLMESURNNEDH-UHFFFAOYSA-N 0 0 522.055 4.711 50 0 KJAARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2C)ccc1OCc1ccccc1 ZINC000097954873 553826099 /nfs/dbraw/zinc/82/60/99/553826099.db2.gz VIEWMAMBWJAMJJ-GVAUOCQISA-N 0 0 537.410 4.903 50 0 KJAARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000097954918 553826732 /nfs/dbraw/zinc/82/67/32/553826732.db2.gz YSJOAQTYWZPHOE-XJUOHMSHSA-N 0 0 527.346 4.744 50 0 KJAARN O=C(CSc1nc2cccnc2[nH]1)Nc1c(Br)cc(Br)cc1Br ZINC000097955202 553829814 /nfs/dbraw/zinc/82/98/14/553829814.db2.gz UCOXEXROTWDONV-UHFFFAOYSA-N 0 0 521.032 4.976 50 0 KJAARN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000097955277 553830761 /nfs/dbraw/zinc/83/07/61/553830761.db2.gz KNNPXRVDEKMFOZ-XJUOHMSHSA-N 0 0 527.346 4.744 50 0 KJAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)C2)cc1Cl ZINC000097955540 553831340 /nfs/dbraw/zinc/83/13/40/553831340.db2.gz KDGKPHNGOCWPOT-CKDFRHGISA-N 0 0 534.009 4.994 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)C2)cc1Cl ZINC000097955541 553831389 /nfs/dbraw/zinc/83/13/89/553831389.db2.gz KDGKPHNGOCWPOT-SXAWMYDMSA-N 0 0 534.009 4.994 50 0 KJAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3ccno3)cc2)C1 ZINC000097955546 553831323 /nfs/dbraw/zinc/83/13/23/553831323.db2.gz JUZBAKTWGNAAIN-BGVYSJOJSA-N 0 0 536.585 4.987 50 0 KJAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3ccno3)cc2)C1 ZINC000097955547 553831337 /nfs/dbraw/zinc/83/13/37/553831337.db2.gz JUZBAKTWGNAAIN-QYFOZDBKSA-N 0 0 536.585 4.987 50 0 KJAARN Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000097955563 553831367 /nfs/dbraw/zinc/83/13/67/553831367.db2.gz CUCNSVJPBQPSKT-DJGBTNNQSA-N 0 0 537.638 4.847 50 0 KJAARN Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000097955564 553831382 /nfs/dbraw/zinc/83/13/82/553831382.db2.gz CUCNSVJPBQPSKT-ZQAUEJBPSA-N 0 0 537.638 4.847 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=S)cc1 ZINC000097955774 553833907 /nfs/dbraw/zinc/83/39/07/553833907.db2.gz MOFLDQXSMFSSEC-QHCPKHFHSA-N 0 0 523.561 4.673 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=S)cc1 ZINC000097955775 553833827 /nfs/dbraw/zinc/83/38/27/553833827.db2.gz MOFLDQXSMFSSEC-HSZRJFAPSA-N 0 0 523.561 4.673 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1)CC1CCCCC1 ZINC000097955925 553834962 /nfs/dbraw/zinc/83/49/62/553834962.db2.gz PHPRLEGPISWCLZ-KNTRCKAVSA-N 0 0 595.806 4.960 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000097955933 553835266 /nfs/dbraw/zinc/83/52/66/553835266.db2.gz IFOKCQMDVYYOKT-KNTRCKAVSA-N 0 0 589.758 4.829 50 0 KJAARN Cc1nc(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)nc(N2CCN(C/C=C/c3ccccc3)CC2)c1C ZINC000097955958 553835209 /nfs/dbraw/zinc/83/52/09/553835209.db2.gz GGZWBXOPLFCXFG-JXMROGBWSA-N 0 0 556.780 4.609 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000097955988 553835515 /nfs/dbraw/zinc/83/55/15/553835515.db2.gz AAHGMKSESGSMCN-NTCAYCPXSA-N 0 0 559.732 4.701 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000097956028 553835733 /nfs/dbraw/zinc/83/57/33/553835733.db2.gz PGRQXXBDNVGDIL-UXIUWMLSSA-N 0 0 544.721 4.836 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000097956029 553835761 /nfs/dbraw/zinc/83/57/61/553835761.db2.gz PGRQXXBDNVGDIL-MKBVCECESA-N 0 0 544.721 4.836 50 0 KJAARN O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2cc(=O)c(OCc3cccc(F)c3)co2)CC1 ZINC000097956030 553835674 /nfs/dbraw/zinc/83/56/74/553835674.db2.gz BEGQIKXKMBJKFI-RMKNXTFCSA-N 0 0 532.490 4.614 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000097956037 553835687 /nfs/dbraw/zinc/83/56/87/553835687.db2.gz DWQLONKZKKSOPB-WUKNDPDISA-N 0 0 577.722 4.960 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c12 ZINC000097956053 553836030 /nfs/dbraw/zinc/83/60/30/553836030.db2.gz ALKAUYJVXVGCHF-OQKWZONESA-N 0 0 550.688 4.837 50 0 KJAARN CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1 ZINC000097956138 553836286 /nfs/dbraw/zinc/83/62/86/553836286.db2.gz LMGYTIMLFNSKLH-WNLUNTPQSA-N 0 0 540.682 4.969 50 0 KJAARN CC[C@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1 ZINC000097956139 553836279 /nfs/dbraw/zinc/83/62/79/553836279.db2.gz LMGYTIMLFNSKLH-BBIZSYTBSA-N 0 0 540.682 4.969 50 0 KJAARN CCOC(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2cc(NC(=O)/C=C/c3ccccc3)ccc21 ZINC000097956150 553836277 /nfs/dbraw/zinc/83/62/77/553836277.db2.gz GIRVEYFHAZSVHU-NTCAYCPXSA-N 0 0 535.600 4.624 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3cc(Cl)nc(SCC(=O)N4CCN(C/C=C/c5ccccc5)CC4)n3)C[C@@H]2C)cc1 ZINC000097956162 553836272 /nfs/dbraw/zinc/83/62/72/553836272.db2.gz AZDKDFOLQCZWSI-QLUGYHCRSA-N 0 0 605.208 4.739 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3cc(Cl)nc(SCC(=O)N4CCN(C/C=C/c5ccccc5)CC4)n3)C[C@H]2C)cc1 ZINC000097956163 553836703 /nfs/dbraw/zinc/83/67/03/553836703.db2.gz AZDKDFOLQCZWSI-UPXASZCJSA-N 0 0 605.208 4.739 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cn3ccs/c3=N\C(=O)c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000097956166 553836700 /nfs/dbraw/zinc/83/67/00/553836700.db2.gz OGQHZQSGOCPQNH-PNHLSOANSA-N 0 0 536.437 4.654 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1 ZINC000097956315 553837650 /nfs/dbraw/zinc/83/76/50/553837650.db2.gz UUIFKNGCQJJMHH-QNGOZBTKSA-N 0 0 547.555 4.856 50 0 KJAARN COc1ccc(CCN(C)C(=O)c2ccc(Cn3ccs/c3=N\C(=O)c3ccccc3F)cc2)cc1OC ZINC000097956403 553838429 /nfs/dbraw/zinc/83/84/29/553838429.db2.gz LILDXHLTIRZLFZ-YCNYHXFESA-N 0 0 533.625 4.810 50 0 KJAARN Cc1nc(SCc2ccc(C(=O)N3CCOCC3)cc2)nc(N2CCN(C/C=C/c3ccccc3)CC2)c1C ZINC000097956413 553838811 /nfs/dbraw/zinc/83/88/11/553838811.db2.gz CZQBGKOCIVLOJV-RMKNXTFCSA-N 0 0 543.737 4.694 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cn3ccs/c3=N\C(=O)c3ccc(Cl)cc3Cl)o2)CC1 ZINC000097956424 553838848 /nfs/dbraw/zinc/83/88/48/553838848.db2.gz GRGPTYZFRHXXRP-PNHLSOANSA-N 0 0 536.437 4.654 50 0 KJAARN COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)o2)c1 ZINC000097956439 553838842 /nfs/dbraw/zinc/83/88/42/553838842.db2.gz BVBKVCCKLSWJNU-KTMFPKCZSA-N 0 0 563.676 4.889 50 0 KJAARN CCN1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000097956452 553839154 /nfs/dbraw/zinc/83/91/54/553839154.db2.gz BGNDURJMOQVXSA-ZXPTYKNPSA-N 0 0 530.616 4.752 50 0 KJAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)/C=C/c4ccccc4Cl)CC3)c2)cc1 ZINC000097956488 553839364 /nfs/dbraw/zinc/83/93/64/553839364.db2.gz TXMJOAODUNVXBV-OVCLIPMQSA-N 0 0 556.084 4.544 50 0 KJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000097956525 553839415 /nfs/dbraw/zinc/83/94/15/553839415.db2.gz FQIFWNDLKDAYSP-HDICACEKSA-N 0 0 528.652 4.642 50 0 KJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000097956526 553839396 /nfs/dbraw/zinc/83/93/96/553839396.db2.gz FQIFWNDLKDAYSP-QZTJIDSGSA-N 0 0 528.652 4.642 50 0 KJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000097956527 553839418 /nfs/dbraw/zinc/83/94/18/553839418.db2.gz FQIFWNDLKDAYSP-ROUUACIJSA-N 0 0 528.652 4.642 50 0 KJAARN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956561 553839742 /nfs/dbraw/zinc/83/97/42/553839742.db2.gz IQUHXFHRBYUFTH-VWUZJACNSA-N 0 0 528.008 4.753 50 0 KJAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)N4c5ccccc5Sc5ccccc54)n3N)n[nH]2)cc1 ZINC000097956648 553840456 /nfs/dbraw/zinc/84/04/56/553840456.db2.gz USHVBMXBMFXAOB-UHFFFAOYSA-N 0 0 527.635 4.979 50 0 KJAARN CCCc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(=O)(=O)c4ccccc4)c3)nn12 ZINC000097956700 553840791 /nfs/dbraw/zinc/84/07/91/553840791.db2.gz OFEGRMOUMMRXBL-UHFFFAOYSA-N 0 0 528.638 4.534 50 0 KJAARN COc1cc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000097956739 553841134 /nfs/dbraw/zinc/84/11/34/553841134.db2.gz HYGUPXGORIJSFG-HXUWFJFHSA-N 0 0 527.327 4.628 50 0 KJAARN COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000097956740 553841554 /nfs/dbraw/zinc/84/15/54/553841554.db2.gz HYGUPXGORIJSFG-FQEVSTJZSA-N 0 0 527.327 4.628 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1Br ZINC000097956820 553842265 /nfs/dbraw/zinc/84/22/65/553842265.db2.gz KJJTUPJZCTZNDA-QHCPKHFHSA-N 0 0 525.403 4.890 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1Br ZINC000097956821 553842259 /nfs/dbraw/zinc/84/22/59/553842259.db2.gz KJJTUPJZCTZNDA-HSZRJFAPSA-N 0 0 525.403 4.890 50 0 KJAARN CC(C)C[C@@H](NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(F)cc1 ZINC000097956993 553843620 /nfs/dbraw/zinc/84/36/20/553843620.db2.gz ZJTRLPQMVGHLLO-KAYWLYCHSA-N 0 0 582.717 4.670 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000097957451 553846082 /nfs/dbraw/zinc/84/60/82/553846082.db2.gz ABUUUDUSAYGHGS-UHFFFAOYSA-N 0 0 578.760 4.874 50 0 KJAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2-c2ccc(F)cc2)s1 ZINC000097957462 553846119 /nfs/dbraw/zinc/84/61/19/553846119.db2.gz ROSZOJNNFJVJEP-UHFFFAOYSA-N 0 0 539.662 4.525 50 0 KJAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2-c2cccc(Cl)c2)s1 ZINC000097957464 553846166 /nfs/dbraw/zinc/84/61/66/553846166.db2.gz XKZWGIVKEYKDOK-UHFFFAOYSA-N 0 0 568.006 4.760 50 0 KJAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccc4ccccc43)n2-c2cccc(Cl)c2)s1 ZINC000097957479 553846139 /nfs/dbraw/zinc/84/61/39/553846139.db2.gz BJFOUCNVGWNNAU-UHFFFAOYSA-N 0 0 550.069 4.895 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2cccc(OC)c2)s1 ZINC000097957521 553846259 /nfs/dbraw/zinc/84/62/59/553846259.db2.gz KUBDPSYCBMJTRC-UHFFFAOYSA-N 0 0 524.653 4.570 50 0 KJAARN CCOc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000097957525 553846444 /nfs/dbraw/zinc/84/64/44/553846444.db2.gz SAAZMYAQPQMLHJ-UHFFFAOYSA-N 0 0 539.661 4.707 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000097957537 553846786 /nfs/dbraw/zinc/84/67/86/553846786.db2.gz XQXUGSFGIFLBBO-UHFFFAOYSA-N 0 0 577.537 4.921 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000097957539 553846702 /nfs/dbraw/zinc/84/67/02/553846702.db2.gz IBHSIXFJDFKWAJ-UHFFFAOYSA-N 0 0 622.647 4.926 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000097957540 553846693 /nfs/dbraw/zinc/84/66/93/553846693.db2.gz LZUORQYQDPZTNP-UHFFFAOYSA-N 0 0 620.631 4.680 50 0 KJAARN CCOc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2-c2cccc(C)c2C)cc(OCC)c1OCC ZINC000097957550 553846685 /nfs/dbraw/zinc/84/66/85/553846685.db2.gz QBAYXQKYIIWXDG-UHFFFAOYSA-N 0 0 625.777 4.901 50 0 KJAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097957560 553847124 /nfs/dbraw/zinc/84/71/24/553847124.db2.gz UEFXRPTYDOSRMK-UHFFFAOYSA-N 0 0 530.631 4.835 50 0 KJAARN CC(=O)N1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2-c2nc3ccccc3s2)C1 ZINC000097957561 553847051 /nfs/dbraw/zinc/84/70/51/553847051.db2.gz NVRHLGXZTFORRK-UHFFFAOYSA-N 0 0 530.631 4.835 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097957652 553847026 /nfs/dbraw/zinc/84/70/26/553847026.db2.gz LBSGBDFVHZNBIW-SUAMDDGLSA-N 0 0 637.508 4.755 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097957653 553847117 /nfs/dbraw/zinc/84/71/17/553847117.db2.gz LBSGBDFVHZNBIW-MFCBUNOESA-N 0 0 637.508 4.755 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(Cc5ccccc5Cl)C4=O)c(=O)n32)cc1 ZINC000097957654 553847416 /nfs/dbraw/zinc/84/74/16/553847416.db2.gz QWZCMAQIAKENJR-SUUDBTLLSA-N 0 0 614.123 4.766 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(Cc5ccccc5Cl)C4=O)c(=O)n32)cc1 ZINC000097957655 553847427 /nfs/dbraw/zinc/84/74/27/553847427.db2.gz QWZCMAQIAKENJR-PGFYKJRFSA-N 0 0 614.123 4.766 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097957659 553847402 /nfs/dbraw/zinc/84/74/02/553847402.db2.gz XLHHTIBFXKKHES-KOBOZNMDSA-N 0 0 640.743 4.646 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccs3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097957660 553847454 /nfs/dbraw/zinc/84/74/54/553847454.db2.gz XLHHTIBFXKKHES-OGEXXFCLSA-N 0 0 640.743 4.646 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097957667 553847452 /nfs/dbraw/zinc/84/74/52/553847452.db2.gz IGINDIJYRBOWEZ-OTHIGLTOSA-N 0 0 678.767 4.984 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097957668 553847485 /nfs/dbraw/zinc/84/74/85/553847485.db2.gz IGINDIJYRBOWEZ-JBVGNYNVSA-N 0 0 678.767 4.984 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097957673 553847419 /nfs/dbraw/zinc/84/74/19/553847419.db2.gz ZCHIGJSLZKAHBJ-HNVAQCFTSA-N 0 0 664.740 4.594 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097957674 553847421 /nfs/dbraw/zinc/84/74/21/553847421.db2.gz ZCHIGJSLZKAHBJ-JESJEVRBSA-N 0 0 664.740 4.594 50 0 KJAARN COc1ccc(C)cc1-n1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000097958210 553851985 /nfs/dbraw/zinc/85/19/85/553851985.db2.gz DWZPBAQTEGKWKJ-UHFFFAOYSA-N 0 0 539.661 4.625 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000097958220 553852463 /nfs/dbraw/zinc/85/24/63/553852463.db2.gz GFXZAPVBADIAER-UHFFFAOYSA-N 0 0 594.715 4.784 50 0 KJAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000097958230 553852447 /nfs/dbraw/zinc/85/24/47/553852447.db2.gz NGLRQDLGSHHXDB-UHFFFAOYSA-N 0 0 589.095 4.560 50 0 KJAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000097958232 553852458 /nfs/dbraw/zinc/85/24/58/553852458.db2.gz WPGBWBVAZPKJGJ-UHFFFAOYSA-N 0 0 601.106 4.704 50 0 KJAARN CCOC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c1csc2NC(=O)COc1ccc(C)cc1 ZINC000097958235 553852451 /nfs/dbraw/zinc/85/24/51/553852451.db2.gz CRBNPAQFRCKRFI-UHFFFAOYSA-N 0 0 547.511 4.848 50 0 KJAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000097958268 553852695 /nfs/dbraw/zinc/85/26/95/553852695.db2.gz ILGQMLXHVKOPSR-UHFFFAOYSA-N 0 0 534.450 4.619 50 0 KJAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1 ZINC000097958351 553853300 /nfs/dbraw/zinc/85/33/00/553853300.db2.gz ULGVACBQIBNVMG-UHFFFAOYSA-N 0 0 534.450 4.619 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000097958509 553855137 /nfs/dbraw/zinc/85/51/37/553855137.db2.gz LNCCVXANXRPYRJ-WLJFKGHSSA-N 0 0 591.911 4.622 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000097958510 553855260 /nfs/dbraw/zinc/85/52/60/553855260.db2.gz LNCCVXANXRPYRJ-VLOXRPPESA-N 0 0 591.911 4.622 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097958565 553855915 /nfs/dbraw/zinc/85/59/15/553855915.db2.gz PEFBQSRQEKTSBR-FATJQOLTSA-N 0 0 628.747 4.890 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4cc(C)cc(C)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097958566 553855877 /nfs/dbraw/zinc/85/58/77/553855877.db2.gz PEFBQSRQEKTSBR-AOFXREQWSA-N 0 0 628.747 4.890 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000097958633 553856467 /nfs/dbraw/zinc/85/64/67/553856467.db2.gz DDAUYUYFORRXHF-CVGPFBNFSA-N 0 0 603.560 4.690 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000097958634 553856474 /nfs/dbraw/zinc/85/64/74/553856474.db2.gz DDAUYUYFORRXHF-LJJBLSSYSA-N 0 0 603.560 4.690 50 0 KJAARN CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000097958808 553857987 /nfs/dbraw/zinc/85/79/87/553857987.db2.gz KLAIFRSDFBVLLK-SFKHYTNKSA-N 0 0 665.562 4.665 50 0 KJAARN CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000097958809 553857991 /nfs/dbraw/zinc/85/79/91/553857991.db2.gz KLAIFRSDFBVLLK-CWJUKMOQSA-N 0 0 665.562 4.665 50 0 KJAARN COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C\c5cc6c(cc5Br)OCO6)c(=O)n42)c2ccccc2CC3)c1 ZINC000097958831 553857941 /nfs/dbraw/zinc/85/79/41/553857941.db2.gz WZZHJTSHRCOSAE-QVPVGFNESA-N 0 0 603.494 4.827 50 0 KJAARN COc1ccc(OC)c([C@H]2C3=C(N=c4s/c(=C\c5cc6c(cc5Br)OCO6)c(=O)n42)c2ccccc2CC3)c1 ZINC000097958832 553858058 /nfs/dbraw/zinc/85/80/58/553858058.db2.gz WZZHJTSHRCOSAE-UWRMONIRSA-N 0 0 603.494 4.827 50 0 KJAARN CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Oc1ccccc1)=C(C)N=2 ZINC000097959086 553860344 /nfs/dbraw/zinc/86/03/44/553860344.db2.gz ZXSPWMUXECHXNX-ASSGYOTOSA-N 0 0 531.033 4.893 50 0 KJAARN CCOc1ccc(Cl)cc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)Oc1ccccc1)=C(C)N=2 ZINC000097959087 553860641 /nfs/dbraw/zinc/86/06/41/553860641.db2.gz ZXSPWMUXECHXNX-OGRZUZBBSA-N 0 0 531.033 4.893 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097959101 553860694 /nfs/dbraw/zinc/86/06/94/553860694.db2.gz VCBFWUMDVGUUEQ-CXABMRDKSA-N 0 0 614.720 4.582 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097959102 553860624 /nfs/dbraw/zinc/86/06/24/553860624.db2.gz VCBFWUMDVGUUEQ-GJKZIJEQSA-N 0 0 614.720 4.582 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCCOc3ccc(C)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097959145 553861104 /nfs/dbraw/zinc/86/11/04/553861104.db2.gz JUDNDYRMSSTWLX-FATJQOLTSA-N 0 0 628.747 4.890 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCCOc3ccc(C)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000097959146 553861098 /nfs/dbraw/zinc/86/10/98/553861098.db2.gz JUDNDYRMSSTWLX-AOFXREQWSA-N 0 0 628.747 4.890 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000097959494 553864277 /nfs/dbraw/zinc/86/42/77/553864277.db2.gz RGDPLCSTVRYOJS-LAUBZIAYSA-N 0 0 602.684 4.924 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000097959495 553864274 /nfs/dbraw/zinc/86/42/74/553864274.db2.gz RGDPLCSTVRYOJS-HDFSHUSISA-N 0 0 602.684 4.924 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000097959505 553864230 /nfs/dbraw/zinc/86/42/30/553864230.db2.gz DNCGMYMVQFQPDV-UNDLXJOSSA-N 0 0 632.710 4.932 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000097959506 553864235 /nfs/dbraw/zinc/86/42/35/553864235.db2.gz DNCGMYMVQFQPDV-JLKMOJGBSA-N 0 0 632.710 4.932 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000097959525 553864240 /nfs/dbraw/zinc/86/42/40/553864240.db2.gz QXMMZJYZBMDVLG-FVUNBJOLSA-N 0 0 642.730 4.903 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000097959526 553864227 /nfs/dbraw/zinc/86/42/27/553864227.db2.gz QXMMZJYZBMDVLG-KFOJKGMOSA-N 0 0 642.730 4.903 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000097959550 553864510 /nfs/dbraw/zinc/86/45/10/553864510.db2.gz NQJPPBHEJDXWNL-UNDLXJOSSA-N 0 0 632.710 4.932 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000097959551 553864556 /nfs/dbraw/zinc/86/45/56/553864556.db2.gz NQJPPBHEJDXWNL-JLKMOJGBSA-N 0 0 632.710 4.932 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000097959575 553864544 /nfs/dbraw/zinc/86/45/44/553864544.db2.gz QLPFCMNVPFVCMH-ZGOFBEGVSA-N 0 0 564.704 4.646 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C(C)C)c(OC)cc3C)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000097959576 553864838 /nfs/dbraw/zinc/86/48/38/553864838.db2.gz QLPFCMNVPFVCMH-BIWBSIMWSA-N 0 0 564.704 4.646 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)cc1C ZINC000097959614 553864829 /nfs/dbraw/zinc/86/48/29/553864829.db2.gz LAHLEXNIYSXPAZ-CEUNXORHSA-N 0 0 591.693 4.608 50 0 KJAARN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3F)c(=O)n2[C@@H]1c1ccccc1OC ZINC000097959647 553865213 /nfs/dbraw/zinc/86/52/13/553865213.db2.gz RJTQMRLDAXURAB-WWWKDLBZSA-N 0 0 585.701 4.830 50 0 KJAARN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3F)c(=O)n2[C@H]1c1ccccc1OC ZINC000097959648 553865170 /nfs/dbraw/zinc/86/51/70/553865170.db2.gz RJTQMRLDAXURAB-DDBFQISPSA-N 0 0 585.701 4.830 50 0 KJAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCCCCC5)o4)c(=O)n32)cc1 ZINC000097959709 553865849 /nfs/dbraw/zinc/86/58/49/553865849.db2.gz GJCNDXCBEMEHDT-RWDZFFNTSA-N 0 0 568.699 4.856 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCCCCC5)o4)c(=O)n32)cc1 ZINC000097959710 553865818 /nfs/dbraw/zinc/86/58/18/553865818.db2.gz GJCNDXCBEMEHDT-HRLSHZPLSA-N 0 0 568.699 4.856 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1F ZINC000097959771 553866132 /nfs/dbraw/zinc/86/61/32/553866132.db2.gz ZGLDSKHQBJQANL-KLNMSBESSA-N 0 0 581.629 4.887 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(I)cc4)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000097959871 553866849 /nfs/dbraw/zinc/86/68/49/553866849.db2.gz XUEHQLHLUREWJI-BIWBSIMWSA-N 0 0 652.510 4.600 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccc(I)cc4)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000097959872 553866833 /nfs/dbraw/zinc/86/68/33/553866833.db2.gz XUEHQLHLUREWJI-ZGOFBEGVSA-N 0 0 652.510 4.600 50 0 KJAARN O=c1c(Cl)c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000097959883 553866836 /nfs/dbraw/zinc/86/68/36/553866836.db2.gz VFUHFFGSTACAOX-UHFFFAOYSA-N 0 0 557.931 4.640 50 0 KJAARN COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 ZINC000097960087 553868059 /nfs/dbraw/zinc/86/80/59/553868059.db2.gz HXBGGUZQFBYDAW-ZDLGFXPLSA-N 0 0 570.380 4.901 50 0 KJAARN COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000097960122 553868329 /nfs/dbraw/zinc/86/83/29/553868329.db2.gz QPDSRHFFBXSSQT-LPYMAVHISA-N 0 0 553.543 4.666 50 0 KJAARN COc1cccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000097960125 553868265 /nfs/dbraw/zinc/86/82/65/553868265.db2.gz BSEPUGBLPYTHMV-FYJGNVAPSA-N 0 0 554.372 4.707 50 0 KJAARN COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Br ZINC000097960150 553868587 /nfs/dbraw/zinc/86/85/87/553868587.db2.gz CFMXPXPBFLLTIX-RQZCQDPDSA-N 0 0 598.269 4.747 50 0 KJAARN CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OCC ZINC000097960156 553868579 /nfs/dbraw/zinc/86/85/79/553868579.db2.gz PRFCRADYSZLLHZ-VCHYOVAHSA-N 0 0 537.794 4.536 50 0 KJAARN CCOC(=O)CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000097960162 553868585 /nfs/dbraw/zinc/86/85/85/553868585.db2.gz COQOLKZXFZMIDX-ZDLGFXPLSA-N 0 0 571.364 4.617 50 0 KJAARN COc1ccc(/C=C(\C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ccccc2=O)cc1OC ZINC000097960182 553868866 /nfs/dbraw/zinc/86/88/66/553868866.db2.gz WBLFAJIWIVFDFT-WEMUOSSPSA-N 0 0 535.644 4.797 50 0 KJAARN O=C(COc1ccccc1/C=C1\NC(=O)N(Cc2ccc(Br)cc2)C1=O)Nc1ccc(F)cc1 ZINC000097960421 553871351 /nfs/dbraw/zinc/87/13/51/553871351.db2.gz XDDNFPWNORPMJU-BKUYFWCQSA-N 0 0 524.346 4.699 50 0 KJAARN COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000097960424 553871680 /nfs/dbraw/zinc/87/16/80/553871680.db2.gz UNVKMZALMKUVIG-WQRHYEAKSA-N 0 0 552.390 4.762 50 0 KJAARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000097960435 553871607 /nfs/dbraw/zinc/87/16/07/553871607.db2.gz QMMGQPJEIIHBGP-ZVHZXABRSA-N 0 0 549.580 4.835 50 0 KJAARN COc1ccc(/C=C/c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc5c(c4)OCCO5)c(=O)n3n2)cc1OC ZINC000097960507 553871989 /nfs/dbraw/zinc/87/19/89/553871989.db2.gz CWYRXIRWQJFACA-ZEQXYTDOSA-N 0 0 591.649 4.510 50 0 KJAARN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)cc1 ZINC000097960616 553873001 /nfs/dbraw/zinc/87/30/01/553873001.db2.gz UGKAEVZUPWVYQJ-XIEYBQDHSA-N 0 0 545.617 4.508 50 0 KJAARN COc1ccc(/C=C/C(=O)n2nc(NCc3ccc(OC)c(OC)c3)nc2NCc2ccc(OC)c(OC)c2)cc1 ZINC000097960819 553873709 /nfs/dbraw/zinc/87/37/09/553873709.db2.gz BTSFDELBXADEGW-XNTDXEJSSA-N 0 0 559.623 4.899 50 0 KJAARN COc1ccccc1/C=C/C(=O)n1nc(NCc2ccc(OC)c(OC)c2)nc1NCc1ccc(OC)c(OC)c1 ZINC000097960821 553873692 /nfs/dbraw/zinc/87/36/92/553873692.db2.gz FSRSQJRWKMEZFB-NTCAYCPXSA-N 0 0 559.623 4.899 50 0 KJAARN O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000097961107 553875316 /nfs/dbraw/zinc/87/53/16/553875316.db2.gz PMLCMINAYCILDR-ONUIUJJFSA-N 0 0 547.608 4.916 50 0 KJAARN COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)Nc1ccccc1N1CCOCC1 ZINC000097961117 553875325 /nfs/dbraw/zinc/87/53/25/553875325.db2.gz JEPOBOCUBITOPW-VOTSOKGWSA-N 0 0 555.292 4.583 50 0 KJAARN COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)Nc1ccc(I)cn1 ZINC000097961119 553875318 /nfs/dbraw/zinc/87/53/18/553875318.db2.gz UZYGKAUAUDJQEU-GORDUTHDSA-N 0 0 597.070 4.746 50 0 KJAARN O=C1c2ccccc2S(=O)(=O)c2ccc(-c3nn4c(nnc4-c4ccccc4Br)s3)cc21 ZINC000097961136 553875388 /nfs/dbraw/zinc/87/53/88/553875388.db2.gz XSAQWHSWBJJHKO-UHFFFAOYSA-N 0 0 523.393 4.660 50 0 KJAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1 ZINC000097961143 553875374 /nfs/dbraw/zinc/87/53/74/553875374.db2.gz ORBIMBAWHUOGGM-UHFFFAOYSA-N 0 0 521.820 4.836 50 0 KJAARN CCOC(=O)c1c(C=O)oc2c1c(Br)c(OC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)cc2C ZINC000097961163 553875713 /nfs/dbraw/zinc/87/57/13/553875713.db2.gz MWKKTTMLMMMEBL-UHFFFAOYSA-N 0 0 566.426 4.743 50 0 KJAARN CCOC(=O)c1c(NC(=S)NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)sc2c1CCCC2 ZINC000097961239 553876323 /nfs/dbraw/zinc/87/63/23/553876323.db2.gz VMGOAKFTBPSIIA-UHFFFAOYSA-N 0 0 549.674 4.846 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)COc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097961309 553876902 /nfs/dbraw/zinc/87/69/02/553876902.db2.gz FZZPRTQAXSRFRT-UHFFFAOYSA-N 0 0 541.438 4.770 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)s2)cc1 ZINC000097961315 553876884 /nfs/dbraw/zinc/87/68/84/553876884.db2.gz LOUNUYNNOOEGJR-UHFFFAOYSA-N 0 0 574.681 4.894 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)s2)cc1 ZINC000097961317 553876874 /nfs/dbraw/zinc/87/68/74/553876874.db2.gz ZLJCCYDWXWFPPX-UHFFFAOYSA-N 0 0 546.630 4.929 50 0 KJAARN CCOc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)s2)cc(OCC)c1OCC ZINC000097961318 553876910 /nfs/dbraw/zinc/87/69/10/553876910.db2.gz FFWQJJLGAACYBG-UHFFFAOYSA-N 0 0 532.644 4.726 50 0 KJAARN COc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)cc(OC)c1OC ZINC000097961336 553877147 /nfs/dbraw/zinc/87/71/47/553877147.db2.gz YYKMZQFDIMPHMO-UHFFFAOYSA-N 0 0 528.534 4.566 50 0 KJAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)Nc1ccccc1C(F)(F)F ZINC000097961339 553877169 /nfs/dbraw/zinc/87/71/69/553877169.db2.gz AJFZSFGWHBGUNY-UHFFFAOYSA-N 0 0 585.655 4.715 50 0 KJAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097961360 553877408 /nfs/dbraw/zinc/87/74/08/553877408.db2.gz KIGMPAZJEAETKM-UHFFFAOYSA-N 0 0 606.073 4.978 50 0 KJAARN CCOc1cc(C(=O)Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc(OCC)c1OCC ZINC000097961368 553877418 /nfs/dbraw/zinc/87/74/18/553877418.db2.gz SIYMGWJFPUKUGR-UHFFFAOYSA-N 0 0 528.656 4.668 50 0 KJAARN O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000097961373 553877414 /nfs/dbraw/zinc/87/74/14/553877414.db2.gz RQLAQFSNZHUDEF-UHFFFAOYSA-N 0 0 528.603 4.886 50 0 KJAARN O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000097961378 553877429 /nfs/dbraw/zinc/87/74/29/553877429.db2.gz GNSDNAAVBFOOKW-UHFFFAOYSA-N 0 0 539.502 4.630 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nnc(NC(=O)c3cc(Br)ccc3Cl)s2)s1 ZINC000097961450 553877910 /nfs/dbraw/zinc/87/79/10/553877910.db2.gz AFHLRCPSTJSPSL-UHFFFAOYSA-N 0 0 551.926 4.901 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccccc2)n1-c1ccc(Cl)c(Cl)c1)Nc1nccs1 ZINC000097961499 553878366 /nfs/dbraw/zinc/87/83/66/553878366.db2.gz JFQVSFNGCJEWJO-UHFFFAOYSA-N 0 0 519.439 4.691 50 0 KJAARN COc1ccccc1-n1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000097961501 553878441 /nfs/dbraw/zinc/87/84/41/553878441.db2.gz ZEXLVONDGQMDGA-UHFFFAOYSA-N 0 0 530.635 4.546 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000097961505 553878445 /nfs/dbraw/zinc/87/84/45/553878445.db2.gz TYDLJPGKYTWRKS-UHFFFAOYSA-N 0 0 541.555 4.956 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccccc2)n1-c1cccc(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000097961510 553878390 /nfs/dbraw/zinc/87/83/90/553878390.db2.gz PVNVYCCLEJPBDI-UHFFFAOYSA-N 0 0 537.567 4.898 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccc(Cl)c(Cl)c1)Nc1nccs1 ZINC000097961512 553878376 /nfs/dbraw/zinc/87/83/76/553878376.db2.gz LHFCQVWRKYCABC-UHFFFAOYSA-N 0 0 537.429 4.831 50 0 KJAARN COc1ccccc1-n1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000097961516 553878701 /nfs/dbraw/zinc/87/87/01/553878701.db2.gz IVTZPGWXQVQYJE-UHFFFAOYSA-N 0 0 548.625 4.686 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2-c2ccc(Br)cc2)s1 ZINC000097961519 553878648 /nfs/dbraw/zinc/87/86/48/553878648.db2.gz GVCWKZYPPQVCQR-UHFFFAOYSA-N 0 0 608.544 4.793 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccccc2F)n1-c1cccc(C(F)(F)F)c1)Nc1nccs1 ZINC000097961524 553878677 /nfs/dbraw/zinc/87/86/77/553878677.db2.gz NRQLHZZXVWROHY-UHFFFAOYSA-N 0 0 536.536 4.543 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2-c2cccc(Cl)c2)cc1 ZINC000097961526 553878684 /nfs/dbraw/zinc/87/86/84/553878684.db2.gz PUPDZDFGPQXTDF-UHFFFAOYSA-N 0 0 525.993 4.729 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1cccc(Cl)c1)N1CCc2ccccc21 ZINC000097961527 553878634 /nfs/dbraw/zinc/87/86/34/553878634.db2.gz PBKPSNOZGSNCDY-UHFFFAOYSA-N 0 0 522.005 4.671 50 0 KJAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000097961534 553878673 /nfs/dbraw/zinc/87/86/73/553878673.db2.gz QISIZDCNUAJLRT-UHFFFAOYSA-N 0 0 533.466 5.000 50 0 KJAARN COc1ccccc1-n1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000097961535 553878621 /nfs/dbraw/zinc/87/86/21/553878621.db2.gz QVDUVYZRIKOWAL-UHFFFAOYSA-N 0 0 544.662 4.855 50 0 KJAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(C(F)(F)F)c2)c1 ZINC000097961540 553878680 /nfs/dbraw/zinc/87/86/80/553878680.db2.gz VBRDXXITBBQINS-UHFFFAOYSA-N 0 0 532.573 4.712 50 0 KJAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cccc(Cl)c2)c1 ZINC000097961546 553878895 /nfs/dbraw/zinc/87/88/95/553878895.db2.gz FTMGDRBTNYNMID-UHFFFAOYSA-N 0 0 534.041 4.541 50 0 KJAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000097961548 553878925 /nfs/dbraw/zinc/87/89/25/553878925.db2.gz YEDDQZPQTWUKHK-UHFFFAOYSA-N 0 0 549.465 4.700 50 0 KJAARN Cc1cccc(-n2c(CNC(=O)c3cc(Cl)ccc3Cl)nnc2SCC(=O)Nc2nccs2)c1 ZINC000097961558 553878860 /nfs/dbraw/zinc/87/88/60/553878860.db2.gz AWYGVIASQMJNEF-UHFFFAOYSA-N 0 0 533.466 5.000 50 0 KJAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)n2-c2ccccc2OC)s1 ZINC000097961561 553878908 /nfs/dbraw/zinc/87/89/08/553878908.db2.gz CMALQRDOBJHNLQ-UHFFFAOYSA-N 0 0 594.119 4.693 50 0 KJAARN COc1cccc(OC)c1-n1c(CNC(=O)c2ccccc2C(F)(F)F)nnc1SCC(=O)N1CCc2ccccc21 ZINC000097961569 553878872 /nfs/dbraw/zinc/87/88/72/553878872.db2.gz OASRDCJQWQYYID-UHFFFAOYSA-N 0 0 597.619 4.915 50 0 KJAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2cccc(Cl)c2)c1 ZINC000097961578 553879254 /nfs/dbraw/zinc/87/92/54/553879254.db2.gz YCSTZWMZMJHNMB-UHFFFAOYSA-N 0 0 578.094 4.939 50 0 KJAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000097961581 553879247 /nfs/dbraw/zinc/87/92/47/553879247.db2.gz DUBMNDQDJWEXBD-UHFFFAOYSA-N 0 0 579.491 4.709 50 0 KJAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2-c2ccccc2OC)c1 ZINC000097961583 553879239 /nfs/dbraw/zinc/87/92/39/553879239.db2.gz ZAEHIIUXTPJBCN-UHFFFAOYSA-N 0 0 590.687 4.564 50 0 KJAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(Br)cc2)c1 ZINC000097961584 553879245 /nfs/dbraw/zinc/87/92/45/553879245.db2.gz NEYNEDXGSUCQIN-UHFFFAOYSA-N 0 0 608.518 4.658 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccc(Br)cc2)cc1OC ZINC000097961587 553879268 /nfs/dbraw/zinc/87/92/68/553879268.db2.gz HMNGTLFISZZDTP-UHFFFAOYSA-N 0 0 600.470 4.847 50 0 KJAARN COc1ccccc1-n1c(CNC(=O)c2cccc3ccccc32)nnc1SCC(=O)Nc1nccs1 ZINC000097961599 553879207 /nfs/dbraw/zinc/87/92/07/553879207.db2.gz NACVVVIOMDLJRA-UHFFFAOYSA-N 0 0 530.635 4.546 50 0 KJAARN CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2-c2cccc(Cl)c2)cc1 ZINC000097961607 553879455 /nfs/dbraw/zinc/87/94/55/553879455.db2.gz SOSROMCIKAVYAW-UHFFFAOYSA-N 0 0 536.057 4.909 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2-c2ccc(Br)cc2)cc1 ZINC000097961610 553879398 /nfs/dbraw/zinc/87/93/98/553879398.db2.gz FYFQARSYTHWGJU-UHFFFAOYSA-N 0 0 566.481 4.628 50 0 KJAARN O=C(Cc1ccccc1)NCc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccc(Br)cc1 ZINC000097961611 553879404 /nfs/dbraw/zinc/87/94/04/553879404.db2.gz NHBXVJSKWIARLQ-UHFFFAOYSA-N 0 0 576.520 4.960 50 0 KJAARN O=C(Cc1ccccc1)NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccc(Br)cc1 ZINC000097961612 553879478 /nfs/dbraw/zinc/87/94/78/553879478.db2.gz ABVZGWKMHLHZQM-UHFFFAOYSA-N 0 0 562.493 4.570 50 0 KJAARN O=C(COc1ccccc1)NCc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1cccc(Cl)c1 ZINC000097961614 553879415 /nfs/dbraw/zinc/87/94/15/553879415.db2.gz GSWBWAWCYROCCW-UHFFFAOYSA-N 0 0 548.068 4.687 50 0 KJAARN O=C(COc1ccccc1)NCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1-c1cccc(Cl)c1 ZINC000097961615 553879400 /nfs/dbraw/zinc/87/94/00/553879400.db2.gz KTEDRSTUEOIWNE-UHFFFAOYSA-N 0 0 565.080 4.956 50 0 KJAARN O=C(COc1ccccc1)NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1cccc(C(F)(F)F)c1 ZINC000097961618 553879448 /nfs/dbraw/zinc/87/94/48/553879448.db2.gz YSAYQNHQWRXKKT-UHFFFAOYSA-N 0 0 567.593 4.663 50 0 KJAARN O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccc(Br)cc1 ZINC000097961624 553879394 /nfs/dbraw/zinc/87/93/94/553879394.db2.gz SFLMJSVCPADMRZ-UHFFFAOYSA-N 0 0 593.916 4.566 50 0 KJAARN O=C(COc1ccc(Cl)cc1Cl)NCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccc(F)cc1 ZINC000097961631 553879408 /nfs/dbraw/zinc/87/94/08/553879408.db2.gz MLYMQPZIZLVYBM-UHFFFAOYSA-N 0 0 567.455 4.596 50 0 KJAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2cccc(Cl)c2)cc1 ZINC000097961634 553879391 /nfs/dbraw/zinc/87/93/91/553879391.db2.gz ZQQLGIVKEOWFLL-UHFFFAOYSA-N 0 0 562.095 4.860 50 0 KJAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(Br)cc2)cc1 ZINC000097961635 553879433 /nfs/dbraw/zinc/87/94/33/553879433.db2.gz MUJWAAQMLZRWNZ-UHFFFAOYSA-N 0 0 592.519 4.579 50 0 KJAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2-c2ccc(F)cc2)cc1 ZINC000097961639 553879754 /nfs/dbraw/zinc/87/97/54/553879754.db2.gz NLLOONHUDUMRDI-UHFFFAOYSA-N 0 0 562.652 4.614 50 0 KJAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCc3cccc(C(F)(F)F)c3)n2-c2ccc(F)cc2)cc1 ZINC000097961642 553879823 /nfs/dbraw/zinc/87/98/23/553879823.db2.gz LIPITICMGZIUOA-UHFFFAOYSA-N 0 0 593.628 4.898 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2-c2ccccc2)cc1 ZINC000097961644 553879804 /nfs/dbraw/zinc/87/98/04/553879804.db2.gz QDNHWVCALSUUMN-UHFFFAOYSA-N 0 0 646.717 4.977 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2cccc(Cl)c2)cc1 ZINC000097961645 553879780 /nfs/dbraw/zinc/87/97/80/553879780.db2.gz BHBNJTPBDXQIAI-UHFFFAOYSA-N 0 0 653.230 4.953 50 0 KJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2-c2ccccc2)c1 ZINC000097961648 553879741 /nfs/dbraw/zinc/87/97/41/553879741.db2.gz MBBMXKJTQPBXMT-UHFFFAOYSA-N 0 0 618.785 4.720 50 0 KJAARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2-c2ccc(F)cc2)c1 ZINC000097961653 553879723 /nfs/dbraw/zinc/87/97/23/553879723.db2.gz HORPVGVIFBUGAW-UHFFFAOYSA-N 0 0 622.748 4.550 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1cccc(Cl)c1)Nc1nc2ccccc2s1 ZINC000097961658 553879829 /nfs/dbraw/zinc/87/98/29/553879829.db2.gz OFRZCRMLANFJBG-UHFFFAOYSA-N 0 0 525.015 4.784 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1ccc(Br)cc1)Nc1nc2ccccc2s1 ZINC000097961664 553879737 /nfs/dbraw/zinc/87/97/37/553879737.db2.gz BEMKQFJRZBJIOV-UHFFFAOYSA-N 0 0 569.466 4.893 50 0 KJAARN CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000097961666 553880054 /nfs/dbraw/zinc/88/00/54/553880054.db2.gz LXPIIPINQYTYJD-UHFFFAOYSA-N 0 0 545.543 4.939 50 0 KJAARN COc1ccccc1-n1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000097961672 553880014 /nfs/dbraw/zinc/88/00/14/553880014.db2.gz VECPOSBXRZDDSF-UHFFFAOYSA-N 0 0 536.664 4.608 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2cccs2)n1-c1ccc(F)cc1)Nc1nc2ccccc2s1 ZINC000097961674 553880037 /nfs/dbraw/zinc/88/00/37/553880037.db2.gz OXOYBHZHODUDHC-UHFFFAOYSA-N 0 0 524.628 4.738 50 0 KJAARN O=C(CSc1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097961692 553880040 /nfs/dbraw/zinc/88/00/40/553880040.db2.gz IRBVREVYWVQYHL-UHFFFAOYSA-N 0 0 569.974 4.847 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4F)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 ZINC000097961849 553881172 /nfs/dbraw/zinc/88/11/72/553881172.db2.gz OTLBUEFGXDOLTR-FUFNRSNVSA-N 0 0 537.616 4.550 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4F)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 ZINC000097961850 553881166 /nfs/dbraw/zinc/88/11/66/553881166.db2.gz OTLBUEFGXDOLTR-PRLWALMFSA-N 0 0 537.616 4.550 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000097961852 553881182 /nfs/dbraw/zinc/88/11/82/553881182.db2.gz RWZNHJCHDXVELP-YJADQXIJSA-N 0 0 524.520 4.687 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000097961853 553881199 /nfs/dbraw/zinc/88/11/99/553881199.db2.gz RWZNHJCHDXVELP-XOYGFPHKSA-N 0 0 524.520 4.687 50 0 KJAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)cc1 ZINC000097961900 553881427 /nfs/dbraw/zinc/88/14/27/553881427.db2.gz IIUJSCXVDVQWRG-QHCPKHFHSA-N 0 0 544.706 4.514 50 0 KJAARN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000097961903 553881361 /nfs/dbraw/zinc/88/13/61/553881361.db2.gz UOGWINMMRNHVQG-ZGOFBEGVSA-N 0 0 606.485 4.941 50 0 KJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)cc1 ZINC000097961904 553881334 /nfs/dbraw/zinc/88/13/34/553881334.db2.gz IIUJSCXVDVQWRG-HSZRJFAPSA-N 0 0 544.706 4.514 50 0 KJAARN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000097961905 553881332 /nfs/dbraw/zinc/88/13/32/553881332.db2.gz UOGWINMMRNHVQG-BIWBSIMWSA-N 0 0 606.485 4.941 50 0 KJAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCN(C(=O)/C(=C\c3ccc(OC)cc3)NC(=O)c3ccccc3)CC2)cc1 ZINC000097961943 553881666 /nfs/dbraw/zinc/88/16/66/553881666.db2.gz XYKYMJPRIXSTGV-BCEWYCLDSA-N 0 0 644.728 4.617 50 0 KJAARN O=C(CN1C(=O)S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000097962179 553883600 /nfs/dbraw/zinc/88/36/00/553883600.db2.gz HBFATZZRWROMSB-FYJGNVAPSA-N 0 0 570.002 4.573 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000097962526 553884037 /nfs/dbraw/zinc/88/40/37/553884037.db2.gz SQTWGJZVIFOOTL-ZMUHTPIZSA-N 0 0 720.754 4.670 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000097962527 553884052 /nfs/dbraw/zinc/88/40/52/553884052.db2.gz SQTWGJZVIFOOTL-OLROSQPISA-N 0 0 720.754 4.670 50 0 KJAARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000097962530 553884069 /nfs/dbraw/zinc/88/40/69/553884069.db2.gz QJHKAATZGJDDCG-JAYSWQADSA-N 0 0 622.484 4.646 50 0 KJAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000097962531 553884097 /nfs/dbraw/zinc/88/40/97/553884097.db2.gz QJHKAATZGJDDCG-KEQCBNTKSA-N 0 0 622.484 4.646 50 0 KJAARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5O)c(=O)n42)c2ccccc2CC3)c1 ZINC000097962532 553884111 /nfs/dbraw/zinc/88/41/11/553884111.db2.gz LXFJBMSVNYCNNA-KMBIYUNPSA-N 0 0 545.458 4.795 50 0 KJAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5O)c(=O)n42)c2ccccc2CC3)c1 ZINC000097962533 553884088 /nfs/dbraw/zinc/88/40/88/553884088.db2.gz LXFJBMSVNYCNNA-GVMLUORFSA-N 0 0 545.458 4.795 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000097962699 553885160 /nfs/dbraw/zinc/88/51/60/553885160.db2.gz MKXVHPPFAXGTOI-RISWYLRJSA-N 0 0 674.557 4.850 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000097962700 553885152 /nfs/dbraw/zinc/88/51/52/553885152.db2.gz MKXVHPPFAXGTOI-LMSRTUJASA-N 0 0 674.557 4.850 50 0 KJAARN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccccc1 ZINC000097962753 553885408 /nfs/dbraw/zinc/88/54/08/553885408.db2.gz DESYOIQGYUSWLR-QPJBPQEWSA-N 0 0 560.697 4.836 50 0 KJAARN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccccc1 ZINC000097962754 553885380 /nfs/dbraw/zinc/88/53/80/553885380.db2.gz DESYOIQGYUSWLR-QTTRZTASSA-N 0 0 560.697 4.836 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000097962798 553885405 /nfs/dbraw/zinc/88/54/05/553885405.db2.gz YZPYHQRYIGWRMP-YPKVGQCMSA-N 0 0 592.458 4.540 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000097962799 553885621 /nfs/dbraw/zinc/88/56/21/553885621.db2.gz YZPYHQRYIGWRMP-BDPRQDHOSA-N 0 0 592.458 4.540 50 0 KJAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccs3)n2C)cc1 ZINC000097963214 553887683 /nfs/dbraw/zinc/88/76/83/553887683.db2.gz VMCBVRRMGDFBDS-IBGZPJMESA-N 0 0 536.708 4.647 50 0 KJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccs3)n2C)cc1 ZINC000097963215 553887688 /nfs/dbraw/zinc/88/76/88/553887688.db2.gz VMCBVRRMGDFBDS-LJQANCHMSA-N 0 0 536.708 4.647 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3Cl)n2C)c(C(=O)OCC)c1C ZINC000097963280 553888301 /nfs/dbraw/zinc/88/83/01/553888301.db2.gz RZRNTLBJHAOERF-UHFFFAOYSA-N 0 0 614.533 4.506 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccccc3F)n1Cc1ccccc1)CCC2 ZINC000097963282 553888228 /nfs/dbraw/zinc/88/82/28/553888228.db2.gz ZKMQGXFCPNNCBF-UHFFFAOYSA-N 0 0 593.706 4.853 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2CCc2ccccc2)c(C(=O)OCC)c1C ZINC000097963283 553888256 /nfs/dbraw/zinc/88/82/56/553888256.db2.gz MNGFNPZGPPMCET-UHFFFAOYSA-N 0 0 679.821 4.842 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)Cc3ccc(OC)cc3)n1-c1ccccc1OC)CCC2 ZINC000097963284 553888304 /nfs/dbraw/zinc/88/83/04/553888304.db2.gz JEUNQRICZQLHDE-LJQANCHMSA-N 0 0 649.795 4.990 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)Cc3ccc(OC)cc3)n1-c1ccccc1OC)CCC2 ZINC000097963285 553888315 /nfs/dbraw/zinc/88/83/15/553888315.db2.gz JEUNQRICZQLHDE-IBGZPJMESA-N 0 0 649.795 4.990 50 0 KJAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2OC)c(C(=O)OCC)c1C ZINC000097963288 553888334 /nfs/dbraw/zinc/88/83/34/553888334.db2.gz ILDRPXKMKYIQEZ-QGZVFWFLSA-N 0 0 641.728 4.642 50 0 KJAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2OC)c(C(=O)OCC)c1C ZINC000097963289 553888319 /nfs/dbraw/zinc/88/83/19/553888319.db2.gz ILDRPXKMKYIQEZ-KRWDZBQOSA-N 0 0 641.728 4.642 50 0 KJAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000097963296 553888285 /nfs/dbraw/zinc/88/82/85/553888285.db2.gz YOJRZSLDPIPXGV-UHFFFAOYSA-N 0 0 558.678 4.836 50 0 KJAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000097963299 553888317 /nfs/dbraw/zinc/88/83/17/553888317.db2.gz RUVCROIFMCHIED-UHFFFAOYSA-N 0 0 556.662 4.590 50 0 KJAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000097963300 553888617 /nfs/dbraw/zinc/88/86/17/553888617.db2.gz QDIPCIGDBXAUAO-UHFFFAOYSA-N 0 0 570.689 4.980 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2Cl)cc1 ZINC000097963317 553888579 /nfs/dbraw/zinc/88/85/79/553888579.db2.gz IRGIXSCEAXASHT-UHFFFAOYSA-N 0 0 534.041 4.541 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2Cl)cc1 ZINC000097963318 553888645 /nfs/dbraw/zinc/88/86/45/553888645.db2.gz HJVCXRNGYVJPOE-UHFFFAOYSA-N 0 0 525.993 4.729 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2-c2ccccc2Cl)cc1 ZINC000097963319 553888649 /nfs/dbraw/zinc/88/86/49/553888649.db2.gz OCABBQFMTVGTNF-UHFFFAOYSA-N 0 0 538.029 4.599 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1ccccc1I ZINC000097963335 553888968 /nfs/dbraw/zinc/88/89/68/553888968.db2.gz LZWREQQFAISGQE-JOCHJYFZSA-N 0 0 547.418 4.854 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1ccccc1I ZINC000097963336 553888860 /nfs/dbraw/zinc/88/88/60/553888860.db2.gz LZWREQQFAISGQE-QFIPXVFZSA-N 0 0 547.418 4.854 50 0 KJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000097963347 553888821 /nfs/dbraw/zinc/88/88/21/553888821.db2.gz NFNSNIJRKZXXQD-MHZLTWQESA-N 0 0 568.667 4.836 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000097963348 553888891 /nfs/dbraw/zinc/88/88/91/553888891.db2.gz NFNSNIJRKZXXQD-HHHXNRCGSA-N 0 0 568.667 4.836 50 0 KJAARN CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000097963367 553889370 /nfs/dbraw/zinc/88/93/70/553889370.db2.gz UIPBQWWMVFTQBJ-RUZDIDTESA-N 0 0 543.572 4.806 50 0 KJAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000097963368 553889319 /nfs/dbraw/zinc/88/93/19/553889319.db2.gz UIPBQWWMVFTQBJ-VWLOTQADSA-N 0 0 543.572 4.806 50 0 KJAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000097963369 553889272 /nfs/dbraw/zinc/88/92/72/553889272.db2.gz PNKZGTSNXBIEDX-NDEPHWFRSA-N 0 0 610.729 4.730 50 0 KJAARN CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000097963370 553889377 /nfs/dbraw/zinc/88/93/77/553889377.db2.gz PNKZGTSNXBIEDX-MUUNZHRXSA-N 0 0 610.729 4.730 50 0 KJAARN CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000097963371 553889290 /nfs/dbraw/zinc/88/92/90/553889290.db2.gz XTAKAVFUKHSNIA-GDLZYMKVSA-N 0 0 622.740 4.874 50 0 KJAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000097963372 553889346 /nfs/dbraw/zinc/88/93/46/553889346.db2.gz XTAKAVFUKHSNIA-LJAQVGFWSA-N 0 0 622.740 4.874 50 0 KJAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 ZINC000097963393 553889762 /nfs/dbraw/zinc/88/97/62/553889762.db2.gz GBHFYUJAUDAJTQ-UHFFFAOYSA-N 0 0 600.788 4.549 50 0 KJAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963399 553889622 /nfs/dbraw/zinc/88/96/22/553889622.db2.gz YLVUXBUDSBMJMR-UHFFFAOYSA-N 0 0 526.709 4.905 50 0 KJAARN COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCN(C(C)C)C2 ZINC000097963416 553889767 /nfs/dbraw/zinc/88/97/67/553889767.db2.gz IFUYFJOEKCIZKK-UHFFFAOYSA-N 0 0 549.759 4.856 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2c1CCN(C(C)C)C2 ZINC000097963423 553890115 /nfs/dbraw/zinc/89/01/15/553890115.db2.gz LOVJTNFSXACLBM-UHFFFAOYSA-N 0 0 567.733 4.691 50 0 KJAARN COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097963441 553890231 /nfs/dbraw/zinc/89/02/31/553890231.db2.gz KXOAXKOLNSGHMX-UHFFFAOYSA-N 0 0 553.706 4.520 50 0 KJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)CN(Cc1ccccc1)CC2 ZINC000097963451 553890485 /nfs/dbraw/zinc/89/04/85/553890485.db2.gz JRPUUMRNIWLXHY-UHFFFAOYSA-N 0 0 567.733 4.910 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097963452 553890565 /nfs/dbraw/zinc/89/05/65/553890565.db2.gz XQGSNNLJPZKLOQ-UHFFFAOYSA-N 0 0 555.722 4.766 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097963456 553890614 /nfs/dbraw/zinc/89/06/14/553890614.db2.gz KLNLFJPECKQSSJ-UHFFFAOYSA-N 0 0 553.706 4.520 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097963460 553890508 /nfs/dbraw/zinc/89/05/08/553890508.db2.gz FOCGXWGTVGICJR-OYRHEFFESA-N 0 0 597.759 4.533 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097963461 553890633 /nfs/dbraw/zinc/89/06/33/553890633.db2.gz FOCGXWGTVGICJR-NHCUHLMSSA-N 0 0 597.759 4.533 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097963462 553890581 /nfs/dbraw/zinc/89/05/81/553890581.db2.gz FOCGXWGTVGICJR-SFTDATJTSA-N 0 0 597.759 4.533 50 0 KJAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 ZINC000097963475 553890593 /nfs/dbraw/zinc/89/05/93/553890593.db2.gz MCOMUIPEXHBBBV-UHFFFAOYSA-N 0 0 582.792 4.960 50 0 KJAARN NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097963485 553891142 /nfs/dbraw/zinc/89/11/42/553891142.db2.gz WGDBITBNDKECOI-UHFFFAOYSA-N 0 0 586.739 4.799 50 0 KJAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)c2C(=O)OC)C1 ZINC000097963512 553891338 /nfs/dbraw/zinc/89/13/38/553891338.db2.gz WWOXBDVIXJBGDY-UHFFFAOYSA-N 0 0 579.741 4.604 50 0 KJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(=O)OCC)C3)cc1 ZINC000097963513 553891459 /nfs/dbraw/zinc/89/14/59/553891459.db2.gz IPANYDVFZHEESU-UHFFFAOYSA-N 0 0 579.741 4.893 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C(=O)OCC)C3)cc1 ZINC000097963535 553891419 /nfs/dbraw/zinc/89/14/19/553891419.db2.gz ZSTDMMGXQBLYIS-UHFFFAOYSA-N 0 0 565.714 4.502 50 0 KJAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C(=O)OCC)C3)cc1 ZINC000097963538 553891447 /nfs/dbraw/zinc/89/14/47/553891447.db2.gz BOULUYAGXJNOEG-UHFFFAOYSA-N 0 0 565.714 4.502 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000097963539 553891464 /nfs/dbraw/zinc/89/14/64/553891464.db2.gz VZEYOAGFEZWFTA-UHFFFAOYSA-N 0 0 577.725 4.645 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000097963555 553891780 /nfs/dbraw/zinc/89/17/80/553891780.db2.gz RJLCSJUVYKFLAZ-UHFFFAOYSA-N 0 0 597.715 4.833 50 0 KJAARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSC2=NN3CCCC(=O)N=C3S2)c1OC ZINC000097963609 553892465 /nfs/dbraw/zinc/89/24/65/553892465.db2.gz WORKXNSAJIGNCZ-IBGZPJMESA-N 0 0 602.536 4.873 50 0 KJAARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSC2=NN3CCCC(=O)N=C3S2)c1OC ZINC000097963610 553892522 /nfs/dbraw/zinc/89/25/22/553892522.db2.gz WORKXNSAJIGNCZ-LJQANCHMSA-N 0 0 602.536 4.873 50 0 KJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000097963810 553894278 /nfs/dbraw/zinc/89/42/78/553894278.db2.gz PSFWLAZWCBKMER-UHFFFAOYSA-N 0 0 546.646 4.606 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)cc1 ZINC000097963824 553894562 /nfs/dbraw/zinc/89/45/62/553894562.db2.gz ORAHZKYRFGHUCI-UHFFFAOYSA-N 0 0 560.673 4.996 50 0 KJAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)cc1 ZINC000097963826 553894519 /nfs/dbraw/zinc/89/45/19/553894519.db2.gz AOFWEOXFYLMRHQ-UHFFFAOYSA-N 0 0 546.646 4.606 50 0 KJAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)cc1 ZINC000097963827 553894565 /nfs/dbraw/zinc/89/45/65/553894565.db2.gz DDFPGKCDZBWRFM-UHFFFAOYSA-N 0 0 560.673 4.996 50 0 KJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)o2)cc(OCC)c1OCC ZINC000097963833 553894534 /nfs/dbraw/zinc/89/45/34/553894534.db2.gz VVCFMAOQBXPPBO-SFHVURJKSA-N 0 0 558.657 4.748 50 0 KJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)o2)cc(OCC)c1OCC ZINC000097963834 553894503 /nfs/dbraw/zinc/89/45/03/553894503.db2.gz VVCFMAOQBXPPBO-GOSISDBHSA-N 0 0 558.657 4.748 50 0 KJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)o2)cc(OCC)c1OCC ZINC000097963835 553894507 /nfs/dbraw/zinc/89/45/07/553894507.db2.gz XGWDMCALGFEVAA-SFHVURJKSA-N 0 0 558.657 4.606 50 0 KJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)cc(OCC)c1OCC ZINC000097963836 553894549 /nfs/dbraw/zinc/89/45/49/553894549.db2.gz XGWDMCALGFEVAA-GOSISDBHSA-N 0 0 558.657 4.606 50 0 KJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)o2)cc(OCC)c1OCC ZINC000097963837 553894545 /nfs/dbraw/zinc/89/45/45/553894545.db2.gz OLQCOVCIMNWSMW-UHFFFAOYSA-N 0 0 558.657 4.606 50 0 KJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)o2)cc(OCC)c1OCC ZINC000097963838 553894596 /nfs/dbraw/zinc/89/45/96/553894596.db2.gz LVCMYRNJIUWTQS-KDURUIRLSA-N 0 0 572.684 4.852 50 0 KJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)o2)cc(OCC)c1OCC ZINC000097963839 553894604 /nfs/dbraw/zinc/89/46/04/553894604.db2.gz LVCMYRNJIUWTQS-OALUTQOASA-N 0 0 572.684 4.852 50 0 KJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)o2)cc(OCC)c1OCC ZINC000097963840 553894542 /nfs/dbraw/zinc/89/45/42/553894542.db2.gz LVCMYRNJIUWTQS-RTBURBONSA-N 0 0 572.684 4.852 50 0 KJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)cc(OCC)c1OCC ZINC000097963846 553894770 /nfs/dbraw/zinc/89/47/70/553894770.db2.gz BMTNLDJHVMANPA-UHFFFAOYSA-N 0 0 558.657 4.750 50 0 KJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCN(Cc2ccccc2)C3)cc1 ZINC000097963857 553894814 /nfs/dbraw/zinc/89/48/14/553894814.db2.gz MSNFPGRNUWEBRI-UHFFFAOYSA-N 0 0 568.765 4.729 50 0 KJAARN CCOc1ccc(C(=O)NCCn2cc(SCC(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)cc1 ZINC000097963894 553895146 /nfs/dbraw/zinc/89/51/46/553895146.db2.gz ZPMKHAXTAYCOOR-UHFFFAOYSA-N 0 0 531.634 4.607 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000097963901 553895125 /nfs/dbraw/zinc/89/51/25/553895125.db2.gz SCZOWIKQNDLMGE-DEOSSOPVSA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000097963902 553895067 /nfs/dbraw/zinc/89/50/67/553895067.db2.gz SCZOWIKQNDLMGE-XMMPIXPASA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccccc3F)C2)cc1 ZINC000097963905 553895101 /nfs/dbraw/zinc/89/51/01/553895101.db2.gz YFQDSPKLSRBEOP-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccccc3F)C2)cc1 ZINC000097963906 553895357 /nfs/dbraw/zinc/89/53/57/553895357.db2.gz YFQDSPKLSRBEOP-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000097963907 553895354 /nfs/dbraw/zinc/89/53/54/553895354.db2.gz MQDXHPHWUDJWTB-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000097963908 553895379 /nfs/dbraw/zinc/89/53/79/553895379.db2.gz MQDXHPHWUDJWTB-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000097963909 553895367 /nfs/dbraw/zinc/89/53/67/553895367.db2.gz GBICQJFPHUGOMT-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000097963910 553895406 /nfs/dbraw/zinc/89/54/06/553895406.db2.gz GBICQJFPHUGOMT-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccc(OC)cc3)C2)c1 ZINC000097963911 553895418 /nfs/dbraw/zinc/89/54/18/553895418.db2.gz YPJUFBUYTAVULM-DEOSSOPVSA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccc(OC)cc3)C2)c1 ZINC000097963912 553895421 /nfs/dbraw/zinc/89/54/21/553895421.db2.gz YPJUFBUYTAVULM-XMMPIXPASA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc(F)c3)C2)c1 ZINC000097963915 553895360 /nfs/dbraw/zinc/89/53/60/553895360.db2.gz BGAWOBNVWYIWHJ-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000097963916 553895422 /nfs/dbraw/zinc/89/54/22/553895422.db2.gz BGAWOBNVWYIWHJ-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000097963923 553895412 /nfs/dbraw/zinc/89/54/12/553895412.db2.gz GLUBDTZLVXASPG-SBUREZEXSA-N 0 0 538.508 4.880 50 0 KJAARN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000097963924 553895401 /nfs/dbraw/zinc/89/54/01/553895401.db2.gz GLUBDTZLVXASPG-HXOBKFHXSA-N 0 0 538.508 4.880 50 0 KJAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000097963925 553895365 /nfs/dbraw/zinc/89/53/65/553895365.db2.gz GLUBDTZLVXASPG-GAJHUEQPSA-N 0 0 538.508 4.880 50 0 KJAARN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000097963926 553895370 /nfs/dbraw/zinc/89/53/70/553895370.db2.gz GLUBDTZLVXASPG-UZUQRXQVSA-N 0 0 538.508 4.880 50 0 KJAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000097963927 553895408 /nfs/dbraw/zinc/89/54/08/553895408.db2.gz HTPPZAFZGKCFFW-SBUREZEXSA-N 0 0 538.508 4.880 50 0 KJAARN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000097963928 553895358 /nfs/dbraw/zinc/89/53/58/553895358.db2.gz HTPPZAFZGKCFFW-HXOBKFHXSA-N 0 0 538.508 4.880 50 0 KJAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000097963929 553895394 /nfs/dbraw/zinc/89/53/94/553895394.db2.gz HTPPZAFZGKCFFW-GAJHUEQPSA-N 0 0 538.508 4.880 50 0 KJAARN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000097963930 553895363 /nfs/dbraw/zinc/89/53/63/553895363.db2.gz HTPPZAFZGKCFFW-UZUQRXQVSA-N 0 0 538.508 4.880 50 0 KJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(Br)s3)sc2=N1 ZINC000097964092 553896318 /nfs/dbraw/zinc/89/63/18/553896318.db2.gz ZEPNCOLCTASRBO-LZOLKVDOSA-N 0 0 537.888 4.664 50 0 KJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(Br)s3)sc2=N1 ZINC000097964093 553896224 /nfs/dbraw/zinc/89/62/24/553896224.db2.gz ZEPNCOLCTASRBO-NXIIHZOPSA-N 0 0 537.888 4.664 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000097965061 1067140850 /nfs/dbraw/zinc/14/08/50/1067140850.db2.gz COFDEYOJCFHBDL-UHFFFAOYSA-N 0 0 558.679 4.988 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1ccc(Cl)cc1Cl ZINC000097965063 1067140624 /nfs/dbraw/zinc/14/06/24/1067140624.db2.gz FHSLDUBBTKNLFS-UHFFFAOYSA-N 0 0 571.461 4.997 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=NC(=O)c1ccc(Cl)cc1Cl ZINC000097965065 1067140781 /nfs/dbraw/zinc/14/07/81/1067140781.db2.gz ZPOXVGPHKWXODO-UHFFFAOYSA-N 0 0 551.386 4.824 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000097965087 1067141243 /nfs/dbraw/zinc/14/12/43/1067141243.db2.gz LXHPGUOGLHZNTR-UHFFFAOYSA-N 0 0 614.655 4.713 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)c1=NC(=O)c1ccc(Cl)cc1Cl ZINC000097965088 1067141436 /nfs/dbraw/zinc/14/14/36/1067141436.db2.gz VESKALUJWDWYEM-UHFFFAOYSA-N 0 0 557.434 4.689 50 0 KJAARN C/C=C/C(=O)N1c2ccc(OCC)cc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C ZINC000097965336 553904195 /nfs/dbraw/zinc/90/41/95/553904195.db2.gz ILUDOQMQMLIBPN-PKNBQFBNSA-N 0 0 661.776 4.579 50 0 KJAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccc(OC)cc2N(C(=O)c2cccc(OC)c2)C1(C)C ZINC000097965946 553906527 /nfs/dbraw/zinc/90/65/27/553906527.db2.gz YTSTWUCSQXZRDN-UHFFFAOYSA-N 0 0 713.808 4.935 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000097966296 553908145 /nfs/dbraw/zinc/90/81/45/553908145.db2.gz SAEKPOLKYVAXNV-DQARITGZSA-N 0 0 710.546 4.719 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000097966297 553908117 /nfs/dbraw/zinc/90/81/17/553908117.db2.gz SAEKPOLKYVAXNV-YRSDHNRQSA-N 0 0 710.546 4.719 50 0 KJAARN CCOC(=O)/C=C/c1c(C)n(Cc2ccc(OC)c(Br)c2)c(=O)n(Cc2ccc(OC)c(Br)c2)c1=O ZINC000097966327 553908115 /nfs/dbraw/zinc/90/81/15/553908115.db2.gz UQPMFNZAWJOJTE-DHZHZOJOSA-N 0 0 622.310 4.534 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000097966501 553909230 /nfs/dbraw/zinc/90/92/30/553909230.db2.gz GSNYHXPVDFLDHD-PYCBVSLESA-N 0 0 598.677 4.915 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000097966502 553909278 /nfs/dbraw/zinc/90/92/78/553909278.db2.gz GSNYHXPVDFLDHD-JLHDDXNDSA-N 0 0 598.677 4.915 50 0 KJAARN CCOc1c(I)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1I ZINC000097966520 553909240 /nfs/dbraw/zinc/90/92/40/553909240.db2.gz TYVRFJDNDDLKES-DHDCSXOGSA-N 0 0 563.104 4.778 50 0 KJAARN CCOc1c(I)cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1I ZINC000097966522 553909245 /nfs/dbraw/zinc/90/92/45/553909245.db2.gz VXOGPRKTYNIEKS-NVNXTCNLSA-N 0 0 563.104 4.778 50 0 KJAARN CCOc1c(I)cc(/C=C2\N=C(c3cccs3)OC2=O)cc1I ZINC000097966595 553909701 /nfs/dbraw/zinc/90/97/01/553909701.db2.gz YTNMJEYJPZHNRF-WQLSENKSSA-N 0 0 551.143 4.701 50 0 KJAARN CCn1cc(C(=O)Nc2nc3ccc(Br)cc3s2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000097966782 553910300 /nfs/dbraw/zinc/91/03/00/553910300.db2.gz IDFREADTVGYOOH-UHFFFAOYSA-N 0 0 624.492 5.340 50 0 KJAARN Cc1ccc(-c2nnc(Nc3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)c3ccccc32)cc1S(N)(=O)=O ZINC000097967028 553913107 /nfs/dbraw/zinc/91/31/07/553913107.db2.gz AICLULIOZKFABD-UHFFFAOYSA-N 0 0 608.724 4.724 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000097967288 1066210023 /nfs/dbraw/zinc/21/00/23/1066210023.db2.gz PZRACNGXRWLJOR-HNGRWHJCSA-N 0 0 563.054 4.744 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)c1=NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000097967295 1067141421 /nfs/dbraw/zinc/14/14/21/1067141421.db2.gz QSTFQDUXRSGFRU-UHFFFAOYSA-N 0 0 590.677 4.728 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000097967405 1067141176 /nfs/dbraw/zinc/14/11/76/1067141176.db2.gz VGVMGOXJWKRGHB-UHFFFAOYSA-N 0 0 634.730 4.887 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)c1=NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000097967642 1067141348 /nfs/dbraw/zinc/14/13/48/1067141348.db2.gz FSMWTYOJLDHFBL-UHFFFAOYSA-N 0 0 620.703 4.578 50 0 KJAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCCOc1ccccc1 ZINC000097968527 553933211 /nfs/dbraw/zinc/93/32/11/553933211.db2.gz VOOPADYRMRUWOW-JCMHNJIXSA-N 0 0 523.408 4.686 50 0 KJAARN COc1ccc(-n2c(/C=C3/c4ccccc4N(C)C3=O)nc3ccc(I)cc3c2=O)cc1 ZINC000097968765 553934327 /nfs/dbraw/zinc/93/43/27/553934327.db2.gz ZELXFTISOBZFII-RGEXLXHISA-N 0 0 535.341 4.516 50 0 KJAARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)N[C@@H](C)C(=O)OCc3ccccc3)cc2)cc1 ZINC000097968829 553934575 /nfs/dbraw/zinc/93/45/75/553934575.db2.gz RNMHEQBGZSVNBM-YBMXKYEKSA-N 0 0 598.677 4.782 50 0 KJAARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)N[C@H](C)C(=O)OCc3ccccc3)cc2)cc1 ZINC000097968830 553934558 /nfs/dbraw/zinc/93/45/58/553934558.db2.gz RNMHEQBGZSVNBM-UCTFJTRWSA-N 0 0 598.677 4.782 50 0 KJAARN CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(Cl)cc1Cl ZINC000097968849 553934592 /nfs/dbraw/zinc/93/45/92/553934592.db2.gz LWECFVCNVDUJHL-MAYQHFBPSA-N 0 0 614.334 4.554 50 0 KJAARN CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(Cl)cc1Cl ZINC000097968850 553934624 /nfs/dbraw/zinc/93/46/24/553934624.db2.gz LWECFVCNVDUJHL-PMEBHBLGSA-N 0 0 614.334 4.554 50 0 KJAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(=O)OC)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O ZINC000097968876 553934936 /nfs/dbraw/zinc/93/49/36/553934936.db2.gz UKPWJZPJONEFGZ-QPJBPQEWSA-N 0 0 664.521 4.814 50 0 KJAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(=O)OC)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O ZINC000097968877 553934910 /nfs/dbraw/zinc/93/49/10/553934910.db2.gz UKPWJZPJONEFGZ-QTTRZTASSA-N 0 0 664.521 4.814 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\c5ccccc5N(Cc5ccccc5Cl)C4=O)c(=O)n32)cc1 ZINC000097968880 553934882 /nfs/dbraw/zinc/93/48/82/553934882.db2.gz QWZCMAQIAKENJR-TXTDGAROSA-N 0 0 614.123 4.766 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\c5ccccc5N(Cc5ccccc5Cl)C4=O)c(=O)n32)cc1 ZINC000097968881 553934953 /nfs/dbraw/zinc/93/49/53/553934953.db2.gz QWZCMAQIAKENJR-DFXXOVSGSA-N 0 0 614.123 4.766 50 0 KJAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1Cl ZINC000097968931 553935197 /nfs/dbraw/zinc/93/51/97/553935197.db2.gz NQDWXVMTURWPIG-KJAJEWJFSA-N 0 0 628.361 4.944 50 0 KJAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1Cl ZINC000097968932 553935198 /nfs/dbraw/zinc/93/51/98/553935198.db2.gz NQDWXVMTURWPIG-SOFZFKJRSA-N 0 0 628.361 4.944 50 0 KJAARN CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)c3ccccc32)ccc1C ZINC000097969043 553936216 /nfs/dbraw/zinc/93/62/16/553936216.db2.gz GZSUTSHHOIIKBF-UHFFFAOYSA-N 0 0 622.751 4.985 50 0 KJAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000097969051 1067141396 /nfs/dbraw/zinc/14/13/96/1067141396.db2.gz DYNKTJOXEXBUKW-UHFFFAOYSA-N 0 0 576.650 4.652 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000097969689 553943682 /nfs/dbraw/zinc/94/36/82/553943682.db2.gz XRJDCJDSQPIIET-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000097969690 553943827 /nfs/dbraw/zinc/94/38/27/553943827.db2.gz XRJDCJDSQPIIET-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@H](C)O)OCO5)c3N2)cc1OC ZINC000097969697 553943698 /nfs/dbraw/zinc/94/36/98/553943698.db2.gz UNQLKEWKYSJNIF-KFVPTDEHSA-N 0 0 534.491 4.595 50 0 KJAARN COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c3ccccc32)cc1C(=O)N1CCCCC1 ZINC000097970938 553959453 /nfs/dbraw/zinc/95/94/53/553959453.db2.gz UXNAJJHXMVEOPL-UHFFFAOYSA-N 0 0 614.772 4.920 50 0 KJAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)C)cc4)c(=O)n32)cc1 ZINC000097971095 553960840 /nfs/dbraw/zinc/96/08/40/553960840.db2.gz PZSRONGWRZQYSR-OXWVMCNISA-N 0 0 539.657 4.670 50 0 KJAARN COc1ccc(CN(C2=NS(=O)(=O)c3ccccc32)c2ccc(OC(=O)COc3ccccc3)cc2)cc1 ZINC000097971306 553962374 /nfs/dbraw/zinc/96/23/74/553962374.db2.gz LBFHUBGOGBHYBA-UHFFFAOYSA-N 0 0 528.586 4.835 50 0 KJAARN Cc1cccc2c1C(N(CCOC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)c1ccc(Cl)cc1)=NS2(=O)=O ZINC000097971308 553962381 /nfs/dbraw/zinc/96/23/81/553962381.db2.gz TUCCMQHZOADDFB-UHFFFAOYSA-N 0 0 602.134 4.636 50 0 KJAARN CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000097971362 553962279 /nfs/dbraw/zinc/96/22/79/553962279.db2.gz GYSCAQFHASJXRS-HBRWQXLPSA-N 0 0 783.963 4.913 50 0 in-vitro KJAARN CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000097971451 553962568 /nfs/dbraw/zinc/96/25/68/553962568.db2.gz FGEXAUHMQBIOFZ-UHFFFAOYSA-N 0 0 560.072 4.900 50 0 KJAARN COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc21 ZINC000097971933 553964341 /nfs/dbraw/zinc/96/43/41/553964341.db2.gz XWTIXSZXDGGDIJ-NRFANRHFSA-N 0 0 532.545 4.952 50 0 biogenic KJAARN COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc21 ZINC000097971934 553964313 /nfs/dbraw/zinc/96/43/13/553964313.db2.gz XWTIXSZXDGGDIJ-OAQYLSRUSA-N 0 0 532.545 4.952 50 0 biogenic KJAARN COC(=O)COc1ccc([C@H](CC(=O)OC)c2c(OC)ccc3c(=O)c(-c4ccc(OC)cc4)coc32)cc1 ZINC000097972088 553966034 /nfs/dbraw/zinc/96/60/34/553966034.db2.gz WOKJYFLJMOOLRE-QHCPKHFHSA-N 0 0 532.545 4.724 50 0 biogenic KJAARN COC(=O)COc1ccc([C@@H](CC(=O)OC)c2c(OC)ccc3c(=O)c(-c4ccc(OC)cc4)coc32)cc1 ZINC000097972089 553966082 /nfs/dbraw/zinc/96/60/82/553966082.db2.gz WOKJYFLJMOOLRE-HSZRJFAPSA-N 0 0 532.545 4.724 50 0 biogenic KJAARN CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000097972931 553967790 /nfs/dbraw/zinc/96/77/90/553967790.db2.gz RMYTWYAQUZZPJM-SGEDCAFJSA-N 0 0 535.707 4.922 50 0 KJAARN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc3ccccc3c2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000097973010 553967719 /nfs/dbraw/zinc/96/77/19/553967719.db2.gz KSMKNXIYPBVEAL-ZVHZXABRSA-N 0 0 537.466 4.778 50 0 KJAARN CC(C)(C)C(=O)OC[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000097973359 553968343 /nfs/dbraw/zinc/96/83/43/553968343.db2.gz PLXCBOJERHYNCS-MJCUULBUSA-N 0 0 600.746 4.764 50 0 KJAARN Cc1c(N(C)S(=O)(=O)c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000097976758 553972557 /nfs/dbraw/zinc/97/25/57/553972557.db2.gz UWRLCPVDVMHZIN-UHFFFAOYSA-N 0 0 678.620 4.653 50 0 KJAARN O=C(COC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000097976788 553972866 /nfs/dbraw/zinc/97/28/66/553972866.db2.gz TYKNRYLYIVGITG-HHHXNRCGSA-N 0 0 635.636 4.541 50 0 KJAARN O=C(COC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000097976789 553972856 /nfs/dbraw/zinc/97/28/56/553972856.db2.gz TYKNRYLYIVGITG-MHZLTWQESA-N 0 0 635.636 4.541 50 0 KJAARN O=C(OC[C@H]1[C@@H](COC(=O)c2ccc(Br)o2)C1(Cl)Cl)c1ccc(Br)o1 ZINC000097976810 553972823 /nfs/dbraw/zinc/97/28/23/553972823.db2.gz YABIOSTVNKSLIV-OCAPTIKFSA-N 0 0 516.953 4.831 50 0 KJAARN Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(C)c(Br)cc3C)CC2)c(C)cc1Br ZINC000097977088 553974051 /nfs/dbraw/zinc/97/40/51/553974051.db2.gz PEJRRKVXONTRPU-UHFFFAOYSA-N 0 0 594.391 4.531 50 0 KJAARN Cc1cc(Br)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(C)c(C)cc3Br)CC2)cc1C ZINC000097977091 553974009 /nfs/dbraw/zinc/97/40/09/553974009.db2.gz DCMCZHVDEURWMG-UHFFFAOYSA-N 0 0 594.391 4.531 50 0 KJAARN CCCCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OCCCC)c(C)c3)[C@H](C)C2)cc1C ZINC000097977097 553974044 /nfs/dbraw/zinc/97/40/44/553974044.db2.gz UGCMNYYTBKWSGQ-HSZRJFAPSA-N 0 0 552.759 4.745 50 0 KJAARN COc1ccccc1NC(=O)c1c[nH]nc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000097977171 553974306 /nfs/dbraw/zinc/97/43/06/553974306.db2.gz MTBXYJQXZPOLSG-UHFFFAOYSA-N 0 0 519.355 4.916 50 0 KJAARN COc1ccc(-c2cc(C(=O)N(Cc3ccc(Sc4ccccc4)o3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000097977256 553975231 /nfs/dbraw/zinc/97/52/31/553975231.db2.gz JCUMOYRHBZACFU-LJQANCHMSA-N 0 0 524.620 4.924 50 0 KJAARN COc1ccc(-c2cc(C(=O)N(Cc3ccc(Sc4ccccc4)o3)[C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000097977257 553975260 /nfs/dbraw/zinc/97/52/60/553975260.db2.gz JCUMOYRHBZACFU-IBGZPJMESA-N 0 0 524.620 4.924 50 0 KJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000097979010 553975593 /nfs/dbraw/zinc/97/55/93/553975593.db2.gz MFDRTIYJZIQJCX-JCMHNJIXSA-N 0 0 563.636 4.670 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000097979017 553975568 /nfs/dbraw/zinc/97/55/68/553975568.db2.gz NXBCVQOWAGZJQY-OUKQBFOZSA-N 0 0 592.699 4.761 50 0 KJAARN Cc1ccc(NC(=O)COC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)cc1S(=O)(=O)N(C)C ZINC000097979034 553975760 /nfs/dbraw/zinc/97/57/60/553975760.db2.gz LZOWPOPWRJPPLN-OEAKJJBVSA-N 0 0 531.005 4.760 50 0 KJAARN COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NCCCN2CCCC2=O)cc1 ZINC000097979053 553976174 /nfs/dbraw/zinc/97/61/74/553976174.db2.gz ICVQJKCLBIQUEF-VWXXCCROSA-N 0 0 541.648 4.652 50 0 KJAARN COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NCCCN2CCCC2=O)cc1 ZINC000097979054 553976036 /nfs/dbraw/zinc/97/60/36/553976036.db2.gz ICVQJKCLBIQUEF-YVNGDZKUSA-N 0 0 541.648 4.652 50 0 KJAARN CCN(C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C)C/C2=C\c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000097979059 553976161 /nfs/dbraw/zinc/97/61/61/553976161.db2.gz VICSLHRZPJOTPX-PXMVSJGTSA-N 0 0 562.688 4.559 50 0 KJAARN CCN(C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C)C/C2=C\c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000097979060 553976120 /nfs/dbraw/zinc/97/61/20/553976120.db2.gz VICSLHRZPJOTPX-OJTHSHFTSA-N 0 0 562.688 4.559 50 0 KJAARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)Nc2sccc2C(N)=O)cc1Cl ZINC000097979091 553976399 /nfs/dbraw/zinc/97/63/99/553976399.db2.gz JODICIYDYFSMNI-MHWRWJLKSA-N 0 0 533.056 4.686 50 0 KJAARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl ZINC000097979097 553976330 /nfs/dbraw/zinc/97/63/30/553976330.db2.gz QGJQAMOBBJYKFD-XDHOZWIPSA-N 0 0 527.027 4.625 50 0 KJAARN COc1ccc(Cl)cc1N1C(=O)/C(=C\c2sccc2C)N=C1SCC(=O)NC(=O)NC1CCCC1 ZINC000097979132 553976670 /nfs/dbraw/zinc/97/66/70/553976670.db2.gz ZKIDVTHKJPZUBV-SFQUDFHCSA-N 0 0 533.075 4.964 50 0 KJAARN CCOC(=O)C1CCN(C(=O)CSC2=N/C(=C\c3sccc3C)C(=O)N2c2cc(Cl)ccc2OC)CC1 ZINC000097979135 553976704 /nfs/dbraw/zinc/97/67/04/553976704.db2.gz UZXXKOUMMNYVSJ-RGEXLXHISA-N 0 0 562.113 4.997 50 0 KJAARN C[C@H](SC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000097979145 553976668 /nfs/dbraw/zinc/97/66/68/553976668.db2.gz WXXGMYXTNURDCT-DKNZLLBESA-N 0 0 541.532 4.792 50 0 KJAARN C[C@@H](SC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000097979146 553976713 /nfs/dbraw/zinc/97/67/13/553976713.db2.gz WXXGMYXTNURDCT-GEYIUBJWSA-N 0 0 541.532 4.792 50 0 KJAARN CCOC(=O)c1cc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(C(=O)OCC)c1 ZINC000097979235 553977541 /nfs/dbraw/zinc/97/75/41/553977541.db2.gz RCYNGLWWUYLXHP-ZHACJKMWSA-N 0 0 557.962 4.522 50 0 KJAARN O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)N1N=C2C(=Cc3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000097979247 553977461 /nfs/dbraw/zinc/97/74/61/553977461.db2.gz PNGSJBLOWAGILV-XLRPATRDSA-N 0 0 532.600 4.832 50 0 KJAARN O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)N1N=C2C(=Cc3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000097979249 553977477 /nfs/dbraw/zinc/97/74/77/553977477.db2.gz PNGSJBLOWAGILV-LDIFBPOBSA-N 0 0 532.600 4.832 50 0 KJAARN COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000097979363 553978471 /nfs/dbraw/zinc/97/84/71/553978471.db2.gz UTKDHVYBMLBMOV-WRZFSVHASA-N 0 0 659.761 4.705 50 0 KJAARN COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000097979365 553978810 /nfs/dbraw/zinc/97/88/10/553978810.db2.gz UTKDHVYBMLBMOV-XONVCUPGSA-N 0 0 659.761 4.705 50 0 KJAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097979426 553979450 /nfs/dbraw/zinc/97/94/50/553979450.db2.gz GBVZIQCVRYGHIQ-SDNWHVSQSA-N 0 0 651.539 4.518 50 0 KJAARN COc1ccc(CCNC(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1OC ZINC000097979458 553979747 /nfs/dbraw/zinc/97/97/47/553979747.db2.gz DHTINTMXVPZQRI-FYWRMAATSA-N 0 0 579.609 4.578 50 0 KJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000097979487 553979793 /nfs/dbraw/zinc/97/97/93/553979793.db2.gz STYFXMFXQAPEIP-GZTJUZNOSA-N 0 0 533.607 4.505 50 0 KJAARN COc1ccc(/C=C2/N=C(SCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000097979501 553980085 /nfs/dbraw/zinc/98/00/85/553980085.db2.gz RIIZHLOQWFDSHQ-JVWAILMASA-N 0 0 592.743 4.986 50 0 KJAARN COc1ccc(/C=C2/N=C(SCC(=O)NCc3ccc4c(c3)OCO4)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000097979503 553980076 /nfs/dbraw/zinc/98/00/76/553980076.db2.gz OQFMGTHFXUPIIA-ZMOGYAJESA-N 0 0 529.618 4.834 50 0 KJAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000097979509 553980100 /nfs/dbraw/zinc/98/01/00/553980100.db2.gz MWFIVHDNZFVKTP-DKJQWCRTSA-N 0 0 593.652 4.918 50 0 KJAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000097979510 553980066 /nfs/dbraw/zinc/98/00/66/553980066.db2.gz MWFIVHDNZFVKTP-FZNKZEPESA-N 0 0 593.652 4.918 50 0 KJAARN COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 ZINC000097979540 553980266 /nfs/dbraw/zinc/98/02/66/553980266.db2.gz DMZWFWISBZXZLB-LGUFXXKBSA-N 0 0 534.634 4.592 50 0 KJAARN COc1cccc(/C=C(/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c2ccccc2)c1 ZINC000097979544 553980260 /nfs/dbraw/zinc/98/02/60/553980260.db2.gz MWQXQUGYLSTWDP-ZXVVBBHZSA-N 0 0 548.661 4.901 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)/C(=C/c2cccc(OC)c2)c2ccccc2)ccc1C ZINC000097979545 553980270 /nfs/dbraw/zinc/98/02/70/553980270.db2.gz XRZPTKAZPSNPHU-NLRVBDNBSA-N 0 0 536.650 4.757 50 0 KJAARN C[C@H](OC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccccc1)CC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000097979550 553980322 /nfs/dbraw/zinc/98/03/22/553980322.db2.gz KUVVLNXWBRRWMZ-ONZPZFSWSA-N 0 0 527.602 4.553 50 0 KJAARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccccc1)CC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000097979551 553980327 /nfs/dbraw/zinc/98/03/27/553980327.db2.gz KUVVLNXWBRRWMZ-GMQRBVGNSA-N 0 0 527.602 4.553 50 0 KJAARN C[C@@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc2C1 ZINC000097979554 553980625 /nfs/dbraw/zinc/98/06/25/553980625.db2.gz LTRLYLZLJKZFCD-XSEIIIHRSA-N 0 0 535.600 4.840 50 0 KJAARN C[C@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cn1 ZINC000097979557 553980578 /nfs/dbraw/zinc/98/05/78/553980578.db2.gz RVHLJAHCWQWMGP-HCWHUNCVSA-N 0 0 530.968 4.943 50 0 KJAARN C[C@@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cn1 ZINC000097979558 553980582 /nfs/dbraw/zinc/98/05/82/553980582.db2.gz RVHLJAHCWQWMGP-RXNMKEHESA-N 0 0 530.968 4.943 50 0 KJAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C\c2cccs2)cc1 ZINC000097979609 553980789 /nfs/dbraw/zinc/98/07/89/553980789.db2.gz OTOWSKHTGDIPFU-BMRADRMJSA-N 0 0 533.631 4.616 50 0 KJAARN O=C(COC(=O)c1c2c(nc3ccccc31)C(=Cc1ccc3c(c1)OCO3)CC2)c1ccc2c(c1)NC(=O)CO2 ZINC000097979719 553981624 /nfs/dbraw/zinc/98/16/24/553981624.db2.gz VUASDFFEIZYCER-YBFXNURJSA-N 0 0 534.524 4.821 50 0 KJAARN COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000097979734 553981625 /nfs/dbraw/zinc/98/16/25/553981625.db2.gz UXRNFMNZPLJTNZ-NCELDCMTSA-N 0 0 671.772 4.746 50 0 KJAARN COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc(OC)c1OC ZINC000097979742 553981982 /nfs/dbraw/zinc/98/19/82/553981982.db2.gz NMSVQTMJDOSUCH-XSFVSMFZSA-N 0 0 567.598 4.642 50 0 KJAARN C[C@H](SC1=NN/C(=C2\C=Nc3ccccc32)N1c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000097979761 553981921 /nfs/dbraw/zinc/98/19/21/553981921.db2.gz UFIWUXFLRYCHHM-MBSKJGAKSA-N 0 0 553.069 4.513 50 0 KJAARN C[C@@H](SC1=NN/C(=C2\C=Nc3ccccc32)N1c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000097979762 553981972 /nfs/dbraw/zinc/98/19/72/553981972.db2.gz UFIWUXFLRYCHHM-GJGNJIHCSA-N 0 0 553.069 4.513 50 0 KJAARN COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 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KJAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc(I)cc(I)c3I)C2=O)cc1 ZINC000097980263 553986927 /nfs/dbraw/zinc/98/69/27/553986927.db2.gz ZYXSFDGWTJPJNA-LZYBPNLTSA-N 0 0 760.129 4.975 50 0 KJAARN COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000097980277 553987253 /nfs/dbraw/zinc/98/72/53/553987253.db2.gz NIEKMNAMDOOUFZ-LFYBBSHMSA-N 0 0 549.674 4.953 50 0 KJAARN COc1cc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000097980311 553987518 /nfs/dbraw/zinc/98/75/18/553987518.db2.gz YVMVUKKSUUDWGK-YRNVUSSQSA-N 0 0 684.711 4.694 50 0 KJAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000097980318 553987434 /nfs/dbraw/zinc/98/74/34/553987434.db2.gz AFMJHQDUMZWBDA-GHOUAXAESA-N 0 0 525.410 4.631 50 0 KJAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000097980319 553987558 /nfs/dbraw/zinc/98/75/58/553987558.db2.gz AFMJHQDUMZWBDA-RBFBNPFJSA-N 0 0 525.410 4.631 50 0 KJAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)c4ccccc4)c3)C2=O)cc1OC ZINC000097980322 553987552 /nfs/dbraw/zinc/98/75/52/553987552.db2.gz RQJCGOJZUMTZPL-JLPGSUDCSA-N 0 0 616.117 4.649 50 0 KJAARN O=C(NCCN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O)c1oc2ccccc2c1CSc1nc[nH]n1 ZINC000097980350 553987774 /nfs/dbraw/zinc/98/77/74/553987774.db2.gz GGXIEJYVQLJQEV-ODLFYWEKSA-N 0 0 540.026 4.963 50 0 KJAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000097980356 553987837 /nfs/dbraw/zinc/98/78/37/553987837.db2.gz ZJUNTAIGJIOVMW-ZHZULCJRSA-N 0 0 568.504 4.634 50 0 KJAARN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc5C4)c3)C2=O)cc1OC ZINC000097980362 553987813 /nfs/dbraw/zinc/98/78/13/553987813.db2.gz AMIPIZHBJINPRS-PKAZHMFMSA-N 0 0 656.182 4.961 50 0 KJAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCN3C(=O)S/C(=C\c4ccccc4Cl)C3=O)ccc2Cl)C1 ZINC000097980368 553987828 /nfs/dbraw/zinc/98/78/28/553987828.db2.gz YPUORGZIUPUZHT-RDPIHGLISA-N 0 0 582.531 4.880 50 0 KJAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCN3C(=O)S/C(=C\c4ccccc4Cl)C3=O)ccc2Cl)C1 ZINC000097980369 553988202 /nfs/dbraw/zinc/98/82/02/553988202.db2.gz YPUORGZIUPUZHT-JHDSZEHQSA-N 0 0 582.531 4.880 50 0 KJAARN O=C(NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000097980371 553988134 /nfs/dbraw/zinc/98/81/34/553988134.db2.gz FMYZVGCWQHGKSX-ZHZULCJRSA-N 0 0 568.504 4.634 50 0 KJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O ZINC000097980376 553988138 /nfs/dbraw/zinc/98/81/38/553988138.db2.gz DSPGDWWLIVWZGV-STZFKDTASA-N 0 0 526.565 4.616 50 0 KJAARN COc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000097980383 553988165 /nfs/dbraw/zinc/98/81/65/553988165.db2.gz UJNVBWGEKBEEGB-ACCUITESSA-N 0 0 626.797 4.860 50 0 KJAARN O=C(NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000097980386 553988060 /nfs/dbraw/zinc/98/80/60/553988060.db2.gz XAQHRIWDQJCQLP-HKWRFOASSA-N 0 0 568.504 4.634 50 0 KJAARN 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Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2)c1 ZINC000097982497 554002833 /nfs/dbraw/zinc/00/28/33/554002833.db2.gz VVONLRZBMKJRPL-HNNXBMFYSA-N 0 0 522.410 4.990 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2)c1 ZINC000097982498 554002813 /nfs/dbraw/zinc/00/28/13/554002813.db2.gz VVONLRZBMKJRPL-OAHLLOKOSA-N 0 0 522.410 4.990 50 0 KJAARN CCOc1ccc(-n2c(SCc3nc4cc(C(=O)OC)ccc4c(=O)[nH]3)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000097982507 554003093 /nfs/dbraw/zinc/00/30/93/554003093.db2.gz NTIMJRPGZVTANL-UHFFFAOYSA-N 0 0 560.657 4.650 50 0 KJAARN Cc1nc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c(Cl)cc1Cl ZINC000097982508 554003134 /nfs/dbraw/zinc/00/31/34/554003134.db2.gz VFMHHIXEVXTRNB-VAWYXSNFSA-N 0 0 520.394 4.905 50 0 KJAARN O=C(OCc1nnc(-c2cccs2)o1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000097982518 554003089 /nfs/dbraw/zinc/00/30/89/554003089.db2.gz ZQUURIAVMOZDJO-UHFFFAOYSA-N 0 0 520.386 4.718 50 0 KJAARN O=C(OCc1nnc(-c2cccs2)o1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000097982521 554003140 /nfs/dbraw/zinc/00/31/40/554003140.db2.gz IIOZHNRCNRQUTN-UHFFFAOYSA-N 0 0 520.386 4.718 50 0 KJAARN CCn1c(COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000097982523 554003085 /nfs/dbraw/zinc/00/30/85/554003085.db2.gz IJZIRLARQDVAPU-UHFFFAOYSA-N 0 0 545.617 4.745 50 0 KJAARN CCn1c(COC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000097982525 554003080 /nfs/dbraw/zinc/00/30/80/554003080.db2.gz QNVGJFTURLUZAR-UHFFFAOYSA-N 0 0 598.607 4.930 50 0 KJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)cs1 ZINC000097982532 554003396 /nfs/dbraw/zinc/00/33/96/554003396.db2.gz QDOHDMSHSWLEGJ-UHFFFAOYSA-N 0 0 593.683 4.952 50 0 KJAARN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 ZINC000097982571 554003661 /nfs/dbraw/zinc/00/36/61/554003661.db2.gz PNDBFVGMOLOFFL-HNNXBMFYSA-N 0 0 528.608 4.686 50 0 KJAARN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 ZINC000097982572 554003666 /nfs/dbraw/zinc/00/36/66/554003666.db2.gz PNDBFVGMOLOFFL-OAHLLOKOSA-N 0 0 528.608 4.686 50 0 KJAARN COC(=O)c1ccc(CSc2nnc(NC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)s2)cc1 ZINC000097982575 554003634 /nfs/dbraw/zinc/00/36/34/554003634.db2.gz HIRVJHBUDFFBQR-QEEXYULSSA-N 0 0 542.727 4.913 50 0 KJAARN COC(=O)c1ccc(CSc2nnc(NC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)s2)cc1 ZINC000097982576 554003685 /nfs/dbraw/zinc/00/36/85/554003685.db2.gz HIRVJHBUDFFBQR-CUIDRNPASA-N 0 0 542.727 4.913 50 0 KJAARN CCOc1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)cc1S(=O)(=O)N(CC)CC ZINC000097982605 554003935 /nfs/dbraw/zinc/00/39/35/554003935.db2.gz QLDKSUKMSLDADY-UHFFFAOYSA-N 0 0 559.758 4.575 50 0 KJAARN CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC[NH2+]C3CCCCC3)ccc2OC)cc1Br ZINC000097982613 554004002 /nfs/dbraw/zinc/00/40/02/554004002.db2.gz KUXJHUIQAFJWLO-UHFFFAOYSA-N 0 0 554.507 4.908 50 0 KJAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(C1CCN(S(=O)(=O)c3cccs3)CC1)n2CCCC ZINC000097982679 554004673 /nfs/dbraw/zinc/00/46/73/554004673.db2.gz ABJNZTPODFKLNK-UHFFFAOYSA-N 0 0 538.761 4.545 50 0 KJAARN COc1cc(-c2ccc(NC(=S)NC(=O)c3ccco3)c(OC)c2)ccc1NC(=S)NC(=O)c1ccco1 ZINC000097982706 554005180 /nfs/dbraw/zinc/00/51/80/554005180.db2.gz CYHPUMPWKSMWSO-UHFFFAOYSA-N 0 0 550.618 4.810 50 0 KJAARN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000097982913 554006027 /nfs/dbraw/zinc/00/60/27/554006027.db2.gz HYEIBYJOODCKET-UHFFFAOYSA-N 0 0 528.472 4.644 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000097982933 554006630 /nfs/dbraw/zinc/00/66/30/554006630.db2.gz FMDYXVITAMTYAG-UHFFFAOYSA-N 0 0 559.710 4.704 50 0 KJAARN O=C(N[C@@H]1CCS(=O)(=O)C1)/C(NC(=O)c1ccccc1)=C(\Sc1ccc(Cl)cc1)c1ccccc1 ZINC000097982969 554006938 /nfs/dbraw/zinc/00/69/38/554006938.db2.gz DSKRYGQITIHYLL-VANSDEMISA-N 0 0 527.067 4.534 50 0 KJAARN O=C(N[C@H]1CCS(=O)(=O)C1)/C(NC(=O)c1ccccc1)=C(\Sc1ccc(Cl)cc1)c1ccccc1 ZINC000097982970 554006991 /nfs/dbraw/zinc/00/69/91/554006991.db2.gz DSKRYGQITIHYLL-ZGBROZEESA-N 0 0 527.067 4.534 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2c(I)cc(I)cc2I)cc1 ZINC000097983169 554007928 /nfs/dbraw/zinc/00/79/28/554007928.db2.gz KVDWCUVFFJEXOF-UHFFFAOYSA-N 0 0 711.097 4.750 50 0 KJAARN COc1cc(C(=O)OCCCN2C(=O)c3cccc4c(N5CCCCC5)ccc(c43)C2=O)cc(OC)c1OC ZINC000097983372 554009136 /nfs/dbraw/zinc/00/91/36/554009136.db2.gz FCBHTGVHTZIUKK-UHFFFAOYSA-N 0 0 532.593 4.699 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 ZINC000097983407 554009141 /nfs/dbraw/zinc/00/91/41/554009141.db2.gz RMBKCDSIXGFPTM-ZGMSNRSNSA-N 0 0 629.691 4.602 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000097983408 554009383 /nfs/dbraw/zinc/00/93/83/554009383.db2.gz RMBKCDSIXGFPTM-YHYOAKJMSA-N 0 0 629.691 4.602 50 0 KJAARN Cc1nn(-c2ccccc2)c(C)c1P(=Nc1ccc(Br)cc1)(N1CCOCC1)N1CCOCC1 ZINC000097983473 554009807 /nfs/dbraw/zinc/00/98/07/554009807.db2.gz RJZWMCPRDQOAHN-UHFFFAOYSA-N 0 0 544.434 4.904 50 0 KJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(CCN4C(=O)c5cccc6cccc(c65)C4=O)CC3)cc12 ZINC000097983568 554010037 /nfs/dbraw/zinc/01/00/37/554010037.db2.gz SRZNENYKHPKJGC-UHFFFAOYSA-N 0 0 549.656 4.603 50 0 KJAARN O=C(CSc1nnc2sc3ccccc3n12)NCCCCCCNC(=O)CSc1nnc2sc3ccccc3n12 ZINC000097983728 554011277 /nfs/dbraw/zinc/01/12/77/554011277.db2.gz LIYANEALHFCDSS-UHFFFAOYSA-N 0 0 610.816 4.879 50 0 KJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCCCCCCC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1 ZINC000097983783 554011638 /nfs/dbraw/zinc/01/16/38/554011638.db2.gz MMAXFINDQVTSCR-UHFFFAOYSA-N 0 0 584.622 4.531 50 0 KJAARN CCN(CC)S(=O)(=O)c1cccc(N2CN(S(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4nc32)c1 ZINC000097983799 554011934 /nfs/dbraw/zinc/01/19/34/554011934.db2.gz IZYGZFUNFUWJNV-UHFFFAOYSA-N 0 0 602.536 4.727 50 0 KJAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCN3C(=O)c4cccc5cccc(c54)C3=O)c3ccc(OC)cc3)CC2)cc1 ZINC000097983817 554011903 /nfs/dbraw/zinc/01/19/03/554011903.db2.gz QNAULTHFGHTZIL-UHFFFAOYSA-N 0 0 670.744 4.757 50 0 KJAARN O=S(=O)(c1ccc(Br)cc1)N1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2nc3ccccc3nc21 ZINC000097983861 554012421 /nfs/dbraw/zinc/01/24/21/554012421.db2.gz GQMGOEMWYJVHPT-UHFFFAOYSA-N 0 0 614.547 4.871 50 0 KJAARN CN(C)P(=NC(=S)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)(c1ccncc1)N(C)C ZINC000097984042 554013431 /nfs/dbraw/zinc/01/34/31/554013431.db2.gz WSIWDVAZCZGBGQ-UHFFFAOYSA-N 0 0 537.051 4.713 50 0 KJAARN O=C(Oc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000097984094 554013931 /nfs/dbraw/zinc/01/39/31/554013931.db2.gz VVQRGKBFIRLJPO-DCLXLUIPSA-N 0 0 518.875 4.663 50 0 KJAARN O=C(Oc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000097984095 554013829 /nfs/dbraw/zinc/01/38/29/554013829.db2.gz VVQRGKBFIRLJPO-YOSAUDMPSA-N 0 0 518.875 4.663 50 0 KJAARN CN(C)P(=NC(=S)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)(c1ccncc1)N(C)C ZINC000097984111 554014329 /nfs/dbraw/zinc/01/43/29/554014329.db2.gz JNAIZBHFSUAACW-UHFFFAOYSA-N 0 0 537.051 4.713 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc4ccccc4cc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1 ZINC000097984358 554016101 /nfs/dbraw/zinc/01/61/01/554016101.db2.gz CQWWVMJZBYEKBO-POYMRFPPSA-N 0 0 720.870 4.940 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc4ccccc4cc3NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1 ZINC000097984359 554016067 /nfs/dbraw/zinc/01/60/67/554016067.db2.gz CQWWVMJZBYEKBO-ASDGIDEWSA-N 0 0 720.870 4.940 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc4ccccc4cc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1 ZINC000097984360 554016193 /nfs/dbraw/zinc/01/61/93/554016193.db2.gz CQWWVMJZBYEKBO-POTDNYQPSA-N 0 0 720.870 4.940 50 0 KJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(NC(=S)NC(=O)c2ccccc2)ccc1OC(F)F ZINC000097984528 554017473 /nfs/dbraw/zinc/01/74/73/554017473.db2.gz BTIHRWMFKXUGKJ-UHFFFAOYSA-N 0 0 573.618 4.776 50 0 KJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1OC(F)F ZINC000097984581 554017435 /nfs/dbraw/zinc/01/74/35/554017435.db2.gz YIZKYVRHDNWBAD-UHFFFAOYSA-N 0 0 552.477 4.723 50 0 KJAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000097984669 554017944 /nfs/dbraw/zinc/01/79/44/554017944.db2.gz JXXCDFPFELFRRV-UHFFFAOYSA-N 0 0 580.652 4.780 50 0 KJAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(CCN1C(=O)c2cccc3cccc(c32)C1=O)c1cccc(F)c1 ZINC000097984754 554018188 /nfs/dbraw/zinc/01/81/88/554018188.db2.gz UQQUXKOVLKYPJO-UHFFFAOYSA-N 0 0 585.657 4.709 50 0 KJAARN COc1ccc(/C=C/C(=O)OC[C@H]2[C@@H](COC(=O)/C=C/c3ccc(OC)c(OC)c3)C2(Cl)Cl)cc1OC ZINC000097984914 554019378 /nfs/dbraw/zinc/01/93/78/554019378.db2.gz WWOHPHYCRYLBSW-VLCFVOHHSA-N 0 0 551.419 4.954 50 0 KJAARN 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ZINC000097987035 554026998 /nfs/dbraw/zinc/02/69/98/554026998.db2.gz QPTYTVKJGWXYSE-UHFFFAOYSA-N 0 0 540.399 4.634 50 0 KJAARN COc1cc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)cc(OC)c1OC ZINC000097987044 554026889 /nfs/dbraw/zinc/02/68/89/554026889.db2.gz LKBBMMVDILDVBZ-UHFFFAOYSA-N 0 0 570.425 4.642 50 0 KJAARN COc1cc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)cc(OC)c1 ZINC000097987047 554026922 /nfs/dbraw/zinc/02/69/22/554026922.db2.gz KARXQHHHWFHHDE-UHFFFAOYSA-N 0 0 540.399 4.634 50 0 KJAARN COc1ccc(C)cc1Nc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccccc21 ZINC000097987052 554026897 /nfs/dbraw/zinc/02/68/97/554026897.db2.gz KWIHIRAZRQKISX-UHFFFAOYSA-N 0 0 524.400 4.933 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2OC)nc2c1Cc1c(CO)cnc(C)c1O2 ZINC000097987090 554026994 /nfs/dbraw/zinc/02/69/94/554026994.db2.gz PISALEYWHXZFBS-UHFFFAOYSA-N 0 0 530.606 4.784 50 0 KJAARN COc1cccc(NC(=O)CSc2nc(-c3ccccc3OC)nc3c2Cc2c(CO)cnc(C)c2O3)c1 ZINC000097987093 554026946 /nfs/dbraw/zinc/02/69/46/554026946.db2.gz BEZLNAIUKSERNW-UHFFFAOYSA-N 0 0 530.606 4.784 50 0 KJAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3OC)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 ZINC000097987097 554026879 /nfs/dbraw/zinc/02/68/79/554026879.db2.gz UDQBSEYSHWXYPE-UHFFFAOYSA-N 0 0 530.606 4.784 50 0 KJAARN Cn1c2nc(CN(Cc3ccccc3)Cc3ccccc3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000097987838 554027428 /nfs/dbraw/zinc/02/74/28/554027428.db2.gz VUAWRCDAOSRHOR-UHFFFAOYSA-N 0 0 548.474 4.991 50 0 KJAARN CCCCc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)s2)cc1 ZINC000097987864 554027877 /nfs/dbraw/zinc/02/78/77/554027877.db2.gz ZMYNAIOOPUYDFB-UHFFFAOYSA-N 0 0 561.755 4.894 50 0 KJAARN CCOc1cc(C(=O)Nc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)s2)cc(OCC)c1OCC ZINC000097987868 554027853 /nfs/dbraw/zinc/02/78/53/554027853.db2.gz LSXVMIWDXDJLDI-UHFFFAOYSA-N 0 0 562.670 4.735 50 0 KJAARN CCOc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)s2)cc(OCC)c1OCC ZINC000097987870 554027889 /nfs/dbraw/zinc/02/78/89/554027889.db2.gz MFRVQJGYWNUZFE-UHFFFAOYSA-N 0 0 544.655 4.920 50 0 KJAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 ZINC000097987871 554027828 /nfs/dbraw/zinc/02/78/28/554027828.db2.gz ZZXJIAHVRALMNY-UHFFFAOYSA-N 0 0 541.438 4.770 50 0 KJAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)Nc1cccc(C(F)(F)F)c1 ZINC000097987873 554027922 /nfs/dbraw/zinc/02/79/22/554027922.db2.gz OIEIVXXLXJBMBY-UHFFFAOYSA-N 0 0 585.655 4.715 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nnc(NC(=O)c3c(C)onc3-c3ccccc3Cl)s2)cc1OC ZINC000097987880 554027840 /nfs/dbraw/zinc/02/78/40/554027840.db2.gz AKXJWKLHJBQNGJ-UHFFFAOYSA-N 0 0 574.084 4.875 50 0 KJAARN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1cc(-c2ccccc2)n[nH]1 ZINC000097990108 554028120 /nfs/dbraw/zinc/02/81/20/554028120.db2.gz DZBCNOBLUBETST-UHFFFAOYSA-N 0 0 527.454 4.817 50 0 KJAARN Cc1cc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2N)ccc1Br ZINC000097990117 554028128 /nfs/dbraw/zinc/02/81/28/554028128.db2.gz OARSEXQFSFUEIC-UHFFFAOYSA-N 0 0 518.828 4.504 50 0 KJAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3N)n[nH]2)cc1 ZINC000097990121 554028150 /nfs/dbraw/zinc/02/81/50/554028150.db2.gz YBLNZHSHSUUXDE-UHFFFAOYSA-N 0 0 557.480 4.826 50 0 KJAARN O=C(Nc1ccc(I)cc1)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000097990138 554028514 /nfs/dbraw/zinc/02/85/14/554028514.db2.gz HXFPKCAXHSYMFZ-UHFFFAOYSA-N 0 0 604.207 4.949 50 0 KJAARN Brc1ccc2c(c1)OCCOCCOCCOc1cc(Br)ccc1OCCOCCOCCO2 ZINC000097990149 554028404 /nfs/dbraw/zinc/02/84/04/554028404.db2.gz NLSCRKZQNSAVJN-UHFFFAOYSA-N 0 0 606.304 4.507 50 0 KJAARN Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nn32)cc1 ZINC000097990169 554028454 /nfs/dbraw/zinc/02/84/54/554028454.db2.gz ZBWIVGMRGMWVJS-UHFFFAOYSA-N 0 0 548.978 4.808 50 0 KJAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nn32)cc1 ZINC000097990176 554028787 /nfs/dbraw/zinc/02/87/87/554028787.db2.gz IHRINWSZDPFBJS-UHFFFAOYSA-N 0 0 564.977 4.508 50 0 KJAARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 ZINC000097990182 554028805 /nfs/dbraw/zinc/02/88/05/554028805.db2.gz RXSSFNLMNUXROT-UHFFFAOYSA-N 0 0 529.968 4.594 50 0 KJAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097990184 554028741 /nfs/dbraw/zinc/02/87/41/554028741.db2.gz GIIAERRLJQKNHG-UHFFFAOYSA-N 0 0 541.979 4.738 50 0 KJAARN CCOc1cc(C(=O)NCCc2csc3nc(-c4ccc(OC)c(OC)c4)nn23)cc(OCC)c1OCC ZINC000097990810 554028802 /nfs/dbraw/zinc/02/88/02/554028802.db2.gz XXKGHEGAHIUHGO-UHFFFAOYSA-N 0 0 540.642 4.644 50 0 KJAARN CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)co2)s1 ZINC000097990819 554029097 /nfs/dbraw/zinc/02/90/97/554029097.db2.gz OLUDWVAEMFBDRE-UHFFFAOYSA-N 0 0 539.435 4.999 50 0 KJAARN CCOc1cc(C(=O)Oc2coc(CSc3nnc(NC(=O)CC)s3)cc2=O)cc(OCC)c1OCC ZINC000097990823 554029058 /nfs/dbraw/zinc/02/90/58/554029058.db2.gz JTJKKQWWDPDTAY-UHFFFAOYSA-N 0 0 549.627 4.547 50 0 KJAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(Br)ccc3Cl)co2)s1 ZINC000097990824 554029041 /nfs/dbraw/zinc/02/90/41/554029041.db2.gz OMGPFLCBXNJJIZ-UHFFFAOYSA-N 0 0 530.809 4.767 50 0 KJAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3c(C)onc3-c3ccccc3Cl)co2)s1 ZINC000097990830 554029065 /nfs/dbraw/zinc/02/90/65/554029065.db2.gz KZPYMNMQRFESET-UHFFFAOYSA-N 0 0 532.987 4.968 50 0 KJAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)C3c4ccccc4Oc4ccccc43)co2)s1 ZINC000097990831 554029155 /nfs/dbraw/zinc/02/91/55/554029155.db2.gz ACPUGJZENLDFLR-UHFFFAOYSA-N 0 0 521.576 4.975 50 0 KJAARN CCOc1cc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc(OCC)c1OCC ZINC000097990832 554029045 /nfs/dbraw/zinc/02/90/45/554029045.db2.gz CBYIHKFSHBDYTI-UHFFFAOYSA-N 0 0 561.638 4.547 50 0 KJAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(Br)ccc3Cl)co2)s1)C1CC1 ZINC000097990833 554029150 /nfs/dbraw/zinc/02/91/50/554029150.db2.gz TUPOTVFOBFNBFK-UHFFFAOYSA-N 0 0 542.820 4.767 50 0 KJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O ZINC000097990835 554029109 /nfs/dbraw/zinc/02/91/09/554029109.db2.gz DEDFZGPYQXOYPS-UHFFFAOYSA-N 0 0 522.004 4.549 50 0 KJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O ZINC000097990842 554029333 /nfs/dbraw/zinc/02/93/33/554029333.db2.gz AZXDYAZDSNEPHM-UHFFFAOYSA-N 0 0 544.998 4.968 50 0 KJAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)C3c4ccccc4Oc4ccccc43)co2)s1)C1CC1 ZINC000097990843 554029353 /nfs/dbraw/zinc/02/93/53/554029353.db2.gz YDUUDILXKSEJSC-UHFFFAOYSA-N 0 0 533.587 4.975 50 0 KJAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)COc3ccc(Cl)cc3)co2)s1 ZINC000097990860 554029376 /nfs/dbraw/zinc/02/93/76/554029376.db2.gz ZUNWDWGDAVMWQM-UHFFFAOYSA-N 0 0 524.020 4.796 50 0 KJAARN CCOc1ccc(OCC(=O)Oc2coc(CSc3nnc(NC(=O)C(CC)CC)s3)cc2=O)cc1 ZINC000097990862 554029329 /nfs/dbraw/zinc/02/93/29/554029329.db2.gz CYZPTJKVIRCVOR-UHFFFAOYSA-N 0 0 533.628 4.541 50 0 KJAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)co2)s1 ZINC000097990867 554029342 /nfs/dbraw/zinc/02/93/42/554029342.db2.gz HUWUTYZVNKQKAW-UHFFFAOYSA-N 0 0 606.748 4.552 50 0 KJAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Br)o3)co2)s1 ZINC000097990869 554029302 /nfs/dbraw/zinc/02/93/02/554029302.db2.gz DAFAVSFDJNEYDL-UHFFFAOYSA-N 0 0 528.406 4.733 50 0 KJAARN COc1ccc(Cl)cc1C(=O)Oc1coc(CSc2nnc(NC(=O)c3cccs3)s2)cc1=O ZINC000097990888 554029784 /nfs/dbraw/zinc/02/97/84/554029784.db2.gz XCEDGMNEDGJWCE-UHFFFAOYSA-N 0 0 536.012 4.979 50 0 KJAARN O=C(COc1ccc(Cl)cc1)Oc1coc(CSc2nnc(NC(=O)c3cccs3)s2)cc1=O ZINC000097990895 554029751 /nfs/dbraw/zinc/02/97/51/554029751.db2.gz MIZCZUONEUMBKB-UHFFFAOYSA-N 0 0 536.012 4.735 50 0 KJAARN O=C(CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1)c1ccccc1 ZINC000097993272 554030771 /nfs/dbraw/zinc/03/07/71/554030771.db2.gz PRUAZDFPONHMJJ-UHFFFAOYSA-N 0 0 537.088 4.593 50 0 KJAARN CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C(=O)OCC)c1C ZINC000097993288 554030723 /nfs/dbraw/zinc/03/07/23/554030723.db2.gz WKTZFHNYZFKFBG-UHFFFAOYSA-N 0 0 557.090 4.880 50 0 KJAARN O=C(CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)s1)c1ccccc1 ZINC000097993317 554031222 /nfs/dbraw/zinc/03/12/22/554031222.db2.gz NFDRFGNTYCBFTJ-UHFFFAOYSA-N 0 0 551.115 4.984 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000097993341 554031252 /nfs/dbraw/zinc/03/12/52/554031252.db2.gz DUXNFMYKDRZFMV-UHFFFAOYSA-N 0 0 533.071 4.990 50 0 KJAARN CCOC(=O)C(=Cc1ccc(OC(F)F)c(OC)c1)C1=CSc2nnc(-c3ccc(OC)cc3)n2N1 ZINC000097993515 1067141272 /nfs/dbraw/zinc/14/12/72/1067141272.db2.gz WHXOBINFYDVKBU-GZTJUZNOSA-N 0 0 516.526 4.520 50 0 KJAARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3OC)SC2=Nc2ccc(OC)cc2)cc1 ZINC000097994066 1067141412 /nfs/dbraw/zinc/14/14/12/1067141412.db2.gz MZKGWQBNFWFENN-RUZDIDTESA-N 0 0 519.623 4.915 50 0 KJAARN O=C(CN1CCOCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000097994420 554031521 /nfs/dbraw/zinc/03/15/21/554031521.db2.gz BZZOEBLOQZPONC-SANMLTNESA-N 0 0 571.475 4.968 50 0 KJAARN O=C(CN1CCOCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000097994421 554031504 /nfs/dbraw/zinc/03/15/04/554031504.db2.gz BZZOEBLOQZPONC-AREMUKBSSA-N 0 0 571.475 4.968 50 0 KJAARN O=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(C(=O)Nc5ccccc5O)cc4C3=O)n1)C2=O ZINC000097994444 554031848 /nfs/dbraw/zinc/03/18/48/554031848.db2.gz ZCCQVUKKOCBSEW-UHFFFAOYSA-N 0 0 639.580 4.599 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4nc5c(s4)c(C)ccc5C)CC3)c2)cc1 ZINC000097994491 554032081 /nfs/dbraw/zinc/03/20/81/554032081.db2.gz IENMJNNBPPEJTP-UHFFFAOYSA-N 0 0 536.679 4.685 50 0 KJAARN CCc1ccc2nc(N(Cc3ccccn3)C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1 ZINC000097994493 554032042 /nfs/dbraw/zinc/03/20/42/554032042.db2.gz HXJUTSXYLKLMGA-UHFFFAOYSA-N 0 0 526.709 4.949 50 0 KJAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(Cc1ccccn1)c1nc2c(cc(F)cc2F)s1 ZINC000097994495 554032084 /nfs/dbraw/zinc/03/20/84/554032084.db2.gz XOIJAXTXJHZZQV-UHFFFAOYSA-N 0 0 534.635 4.665 50 0 KJAARN CCOc1cccc2sc(N(Cc3ccccn3)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc21 ZINC000097994501 554032392 /nfs/dbraw/zinc/03/23/92/554032392.db2.gz VQJPAVVCZZAGNP-SFHVURJKSA-N 0 0 528.681 4.538 50 0 KJAARN CCOc1cccc2sc(N(Cc3ccccn3)C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)nc21 ZINC000097994502 554032353 /nfs/dbraw/zinc/03/23/53/554032353.db2.gz VQJPAVVCZZAGNP-GOSISDBHSA-N 0 0 528.681 4.538 50 0 KJAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000097994515 554032349 /nfs/dbraw/zinc/03/23/49/554032349.db2.gz KQPGKVBGROPTGN-KRWDZBQOSA-N 0 0 537.063 4.932 50 0 KJAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000097994516 554032326 /nfs/dbraw/zinc/03/23/26/554032326.db2.gz KQPGKVBGROPTGN-QGZVFWFLSA-N 0 0 537.063 4.932 50 0 KJAARN CC(=O)Nc1ccc(/C=C2/SC(=O)N(CCN3C(=O)S/C(=C\c4ccc(C)cc4)C3=O)C2=O)cc1 ZINC000097994685 1067141129 /nfs/dbraw/zinc/14/11/29/1067141129.db2.gz JXHQULJDFJBATM-IWXNDQKYSA-N 0 0 507.593 4.726 50 0 KJAARN CCOc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3)nc2c1 ZINC000097994747 554032625 /nfs/dbraw/zinc/03/26/25/554032625.db2.gz JBMKYYKXAQGXTM-AREMUKBSSA-N 0 0 536.679 4.594 50 0 KJAARN CCOc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]3c3ccccc3)nc2c1 ZINC000097994749 554032645 /nfs/dbraw/zinc/03/26/45/554032645.db2.gz JBMKYYKXAQGXTM-SANMLTNESA-N 0 0 536.679 4.594 50 0 KJAARN COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3ccc(Cl)cc3)n2)cc1OC ZINC000097995296 554033612 /nfs/dbraw/zinc/03/36/12/554033612.db2.gz WAPKISVTGIFZSQ-UHFFFAOYSA-N 0 0 538.004 4.879 50 0 KJAARN COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3ccccc3Cl)n2)cc1OC ZINC000097995299 554033542 /nfs/dbraw/zinc/03/35/42/554033542.db2.gz USNMUDSAXSOHRI-UHFFFAOYSA-N 0 0 538.004 4.879 50 0 KJAARN COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)COc3ccc(Cl)cc3)n2)cc1OC ZINC000097995304 554033863 /nfs/dbraw/zinc/03/38/63/554033863.db2.gz HHOUPKYHOPTEFC-UHFFFAOYSA-N 0 0 568.030 4.909 50 0 KJAARN COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)[C@H](C)Oc3ccccc3)n2)cc1OC ZINC000097995305 554033811 /nfs/dbraw/zinc/03/38/11/554033811.db2.gz ZICBNZQEELHCBY-IBGZPJMESA-N 0 0 547.612 4.644 50 0 KJAARN COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)[C@@H](C)Oc3ccccc3)n2)cc1OC ZINC000097995306 554033873 /nfs/dbraw/zinc/03/38/73/554033873.db2.gz ZICBNZQEELHCBY-LJQANCHMSA-N 0 0 547.612 4.644 50 0 KJAARN CCn1c2ccccc2c2nnc(SCC(=O)Nc3ncc(Br)cc3Br)nc21 ZINC000097995335 554034202 /nfs/dbraw/zinc/03/42/02/554034202.db2.gz DLIOOYUXMMPBQY-UHFFFAOYSA-N 0 0 522.226 4.650 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3ccc(N4CCCC4=O)cc3)C2=S)cc1 ZINC000097995412 554034682 /nfs/dbraw/zinc/03/46/82/554034682.db2.gz PNFJNAOJTQCPLQ-SANMLTNESA-N 0 0 570.671 4.521 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccc(N4CCCC4=O)cc3)C2=S)cc1 ZINC000097995413 554034638 /nfs/dbraw/zinc/03/46/38/554034638.db2.gz PNFJNAOJTQCPLQ-AREMUKBSSA-N 0 0 570.671 4.521 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000097995422 554034616 /nfs/dbraw/zinc/03/46/16/554034616.db2.gz BFYKREQZJPWRSW-QHCPKHFHSA-N 0 0 587.576 4.912 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000097995423 554034676 /nfs/dbraw/zinc/03/46/76/554034676.db2.gz BFYKREQZJPWRSW-HSZRJFAPSA-N 0 0 587.576 4.912 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(Cc3ccc(N4CCCC4=O)cc3)C2=S)cc1 ZINC000097995428 554034713 /nfs/dbraw/zinc/03/47/13/554034713.db2.gz AIXWCKIZCBRARE-MHZLTWQESA-N 0 0 600.697 4.530 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(Cc3ccc(N4CCCC4=O)cc3)C2=S)cc1 ZINC000097995429 554034651 /nfs/dbraw/zinc/03/46/51/554034651.db2.gz AIXWCKIZCBRARE-HHHXNRCGSA-N 0 0 600.697 4.530 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000097995432 554035039 /nfs/dbraw/zinc/03/50/39/554035039.db2.gz WZRYKNITJZPPFK-HHHXNRCGSA-N 0 0 572.687 4.752 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000097995433 554034982 /nfs/dbraw/zinc/03/49/82/554034982.db2.gz WZRYKNITJZPPFK-MHZLTWQESA-N 0 0 572.687 4.752 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000097995434 554034998 /nfs/dbraw/zinc/03/49/98/554034998.db2.gz BEOQWAQZHRNCOS-AREMUKBSSA-N 0 0 560.651 4.882 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000097995435 554034994 /nfs/dbraw/zinc/03/49/94/554034994.db2.gz BEOQWAQZHRNCOS-SANMLTNESA-N 0 0 560.651 4.882 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(Cc3cc(F)c(F)c(F)c3F)C2=S)cc1 ZINC000097995452 554034937 /nfs/dbraw/zinc/03/49/37/554034937.db2.gz HNOPWKVUKOIXAV-NRFANRHFSA-N 0 0 589.567 4.959 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(Cc3cc(F)c(F)c(F)c3F)C2=S)cc1 ZINC000097995453 554034986 /nfs/dbraw/zinc/03/49/86/554034986.db2.gz HNOPWKVUKOIXAV-OAQYLSRUSA-N 0 0 589.567 4.959 50 0 KJAARN O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(F)cc1 ZINC000097995458 554035054 /nfs/dbraw/zinc/03/50/54/554035054.db2.gz CPKGLBKBDFLNAM-XMMPIXPASA-N 0 0 534.588 4.623 50 0 KJAARN O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(F)cc1 ZINC000097995459 554034924 /nfs/dbraw/zinc/03/49/24/554034924.db2.gz CPKGLBKBDFLNAM-DEOSSOPVSA-N 0 0 534.588 4.623 50 0 KJAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000097995460 554035219 /nfs/dbraw/zinc/03/52/19/554035219.db2.gz HWACPDHNOMJPTH-DEOSSOPVSA-N 0 0 533.053 4.998 50 0 KJAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000097995461 554035279 /nfs/dbraw/zinc/03/52/79/554035279.db2.gz HWACPDHNOMJPTH-XMMPIXPASA-N 0 0 533.053 4.998 50 0 KJAARN O=C(C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000097995466 554035202 /nfs/dbraw/zinc/03/52/02/554035202.db2.gz OVBUFCOMDZKUJI-VWLOTQADSA-N 0 0 547.080 4.994 50 0 KJAARN O=C(C[C@@H]1C(=O)N(Cc2ccccc2)C(=S)N1Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)cc1 ZINC000097995467 554035291 /nfs/dbraw/zinc/03/52/91/554035291.db2.gz OVBUFCOMDZKUJI-RUZDIDTESA-N 0 0 547.080 4.994 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(OC)cc2)cc1 ZINC000097995468 554035173 /nfs/dbraw/zinc/03/51/73/554035173.db2.gz BYYJCLRALJJTBQ-XMMPIXPASA-N 0 0 535.597 4.542 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(OC)cc2)cc1 ZINC000097995469 554035225 /nfs/dbraw/zinc/03/52/25/554035225.db2.gz BYYJCLRALJJTBQ-DEOSSOPVSA-N 0 0 535.597 4.542 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000097995472 554035301 /nfs/dbraw/zinc/03/53/01/554035301.db2.gz HJTIPRHSDREXGX-XMMPIXPASA-N 0 0 535.597 4.542 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000097995473 554035198 /nfs/dbraw/zinc/03/51/98/554035198.db2.gz HJTIPRHSDREXGX-DEOSSOPVSA-N 0 0 535.597 4.542 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000097995474 554035261 /nfs/dbraw/zinc/03/52/61/554035261.db2.gz CPILCQMAEUOLRZ-HSZRJFAPSA-N 0 0 523.561 4.673 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(F)cc2)cc1 ZINC000097995475 554035274 /nfs/dbraw/zinc/03/52/74/554035274.db2.gz CPILCQMAEUOLRZ-QHCPKHFHSA-N 0 0 523.561 4.673 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097995476 554035285 /nfs/dbraw/zinc/03/52/85/554035285.db2.gz DHFQFSRJQOCBPR-OAQYLSRUSA-N 0 0 589.567 4.959 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097995477 554035209 /nfs/dbraw/zinc/03/52/09/554035209.db2.gz DHFQFSRJQOCBPR-NRFANRHFSA-N 0 0 589.567 4.959 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097995480 554035162 /nfs/dbraw/zinc/03/51/62/554035162.db2.gz RFWLXYXKNCENOD-QHCPKHFHSA-N 0 0 565.623 4.551 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000097995481 554035257 /nfs/dbraw/zinc/03/52/57/554035257.db2.gz RFWLXYXKNCENOD-HSZRJFAPSA-N 0 0 565.623 4.551 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3ccccc3F)C2=S)cc1 ZINC000097995482 554035215 /nfs/dbraw/zinc/03/52/15/554035215.db2.gz IVXQBNZAGGPGFV-VWLOTQADSA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3ccccc3F)C2=S)cc1 ZINC000097995483 554035194 /nfs/dbraw/zinc/03/51/94/554035194.db2.gz IVXQBNZAGGPGFV-RUZDIDTESA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCc3ccccc3F)C2=S)cc1 ZINC000097995484 554035160 /nfs/dbraw/zinc/03/51/60/554035160.db2.gz UDQHWDKNVGFPAQ-DEOSSOPVSA-N 0 0 537.588 4.715 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCc3ccccc3F)C2=S)cc1 ZINC000097995485 554035155 /nfs/dbraw/zinc/03/51/55/554035155.db2.gz UDQHWDKNVGFPAQ-XMMPIXPASA-N 0 0 537.588 4.715 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000097995486 554035240 /nfs/dbraw/zinc/03/52/40/554035240.db2.gz MUNKRWDUVYPZLS-RUZDIDTESA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000097995487 554035176 /nfs/dbraw/zinc/03/51/76/554035176.db2.gz MUNKRWDUVYPZLS-VWLOTQADSA-N 0 0 549.624 4.585 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000097995488 554035231 /nfs/dbraw/zinc/03/52/31/554035231.db2.gz QKFDUXULUHSMBB-RUZDIDTESA-N 0 0 533.625 4.572 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCc2ccccc2F)cc1 ZINC000097995489 554035235 /nfs/dbraw/zinc/03/52/35/554035235.db2.gz QKFDUXULUHSMBB-VWLOTQADSA-N 0 0 533.625 4.572 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097995517 554035585 /nfs/dbraw/zinc/03/55/85/554035585.db2.gz HLBCBQNUNISNER-XMMPIXPASA-N 0 0 579.650 4.593 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097995518 554035520 /nfs/dbraw/zinc/03/55/20/554035520.db2.gz HLBCBQNUNISNER-DEOSSOPVSA-N 0 0 579.650 4.593 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(Nc3c(F)c(F)c(F)c(F)c3F)C2=S)cc1 ZINC000097995525 554035841 /nfs/dbraw/zinc/03/58/41/554035841.db2.gz IFFRLDXJFILJOX-KRWDZBQOSA-N 0 0 608.545 4.925 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(Nc3c(F)c(F)c(F)c(F)c3F)C2=S)cc1 ZINC000097995526 554035788 /nfs/dbraw/zinc/03/57/88/554035788.db2.gz IFFRLDXJFILJOX-QGZVFWFLSA-N 0 0 608.545 4.925 50 0 KJAARN O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000097995640 554036465 /nfs/dbraw/zinc/03/64/65/554036465.db2.gz AQSLBCQNQMPUIH-UHFFFAOYSA-N 0 0 552.602 4.852 50 0 KJAARN CCCOC(=O)c1cc(NC(=O)c2cc(Br)cc(Br)c2OC)ccc1N1CCOCC1 ZINC000097995643 554036395 /nfs/dbraw/zinc/03/63/95/554036395.db2.gz JXYMICXKWRAPIV-UHFFFAOYSA-N 0 0 556.251 4.876 50 0 KJAARN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(=O)c3ccccc3)CC2)cc1Br ZINC000097995654 554036693 /nfs/dbraw/zinc/03/66/93/554036693.db2.gz XRSIJZADHBWJQN-UHFFFAOYSA-N 0 0 566.452 4.849 50 0 KJAARN COc1ccc(C(=O)COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Br)cc2)cc1 ZINC000097995677 554036661 /nfs/dbraw/zinc/03/66/61/554036661.db2.gz XCIAIYACIKARTO-XMMPIXPASA-N 0 0 535.394 4.706 50 0 biogenic KJAARN COc1ccc(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Br)cc2)cc1 ZINC000097995678 554036805 /nfs/dbraw/zinc/03/68/05/554036805.db2.gz XCIAIYACIKARTO-DEOSSOPVSA-N 0 0 535.394 4.706 50 0 biogenic KJAARN O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)c1ccc(Br)cc1 ZINC000097995714 554037008 /nfs/dbraw/zinc/03/70/08/554037008.db2.gz QMTZZRNHMZREDU-UHFFFAOYSA-N 0 0 628.578 4.636 50 0 KJAARN O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)Nc1ccc2c3c(cccc31)CC2 ZINC000097995718 554037018 /nfs/dbraw/zinc/03/70/18/554037018.db2.gz HAFIEXXIJZSBKL-UHFFFAOYSA-N 0 0 640.795 4.881 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(NC(=O)c4ccccc4Br)cc3)n2C)cc1OC ZINC000097995746 554037352 /nfs/dbraw/zinc/03/73/52/554037352.db2.gz QECVFYLDRMTCIK-UHFFFAOYSA-N 0 0 610.534 4.965 50 0 KJAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)n1C ZINC000097995748 554037328 /nfs/dbraw/zinc/03/73/28/554037328.db2.gz KAXDXDJQVBZIFF-UHFFFAOYSA-N 0 0 536.013 4.905 50 0 KJAARN CCCn1nnc(N(C(=O)c2cc(Br)cc(C)c2OC)C(=O)c2cc(Br)cc(C)c2OC)n1 ZINC000097995794 554037546 /nfs/dbraw/zinc/03/75/46/554037546.db2.gz XKYQJAPQKGTNPR-UHFFFAOYSA-N 0 0 581.265 4.729 50 0 KJAARN Cc1cc(OCC(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)cc2)cc(C)c1Cl ZINC000097995798 554037784 /nfs/dbraw/zinc/03/77/84/554037784.db2.gz ZDVHVYAOKBDCFG-UHFFFAOYSA-N 0 0 555.075 4.950 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097995803 554037821 /nfs/dbraw/zinc/03/78/21/554037821.db2.gz BRUUSMINHPRIHC-HSZRJFAPSA-N 0 0 554.068 4.939 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097995804 554037781 /nfs/dbraw/zinc/03/77/81/554037781.db2.gz BRUUSMINHPRIHC-QHCPKHFHSA-N 0 0 554.068 4.939 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCc3ccccc3F)C2=S)cc1 ZINC000097995809 554037817 /nfs/dbraw/zinc/03/78/17/554037817.db2.gz XVIXHDZUZPUFSB-AREMUKBSSA-N 0 0 563.651 4.975 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCc3ccccc3F)C2=S)cc1 ZINC000097995810 554037858 /nfs/dbraw/zinc/03/78/58/554037858.db2.gz XVIXHDZUZPUFSB-SANMLTNESA-N 0 0 563.651 4.975 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2cccc(OC)c2)cc1 ZINC000097995811 554037847 /nfs/dbraw/zinc/03/78/47/554037847.db2.gz GPCCPVPSRAHYKI-XMMPIXPASA-N 0 0 595.077 4.591 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2cccc(OC)c2)cc1 ZINC000097995812 554037841 /nfs/dbraw/zinc/03/78/41/554037841.db2.gz GPCCPVPSRAHYKI-DEOSSOPVSA-N 0 0 595.077 4.591 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097995817 554037826 /nfs/dbraw/zinc/03/78/26/554037826.db2.gz DGROPGOPQINKJE-RUZDIDTESA-N 0 0 559.619 4.598 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097995818 554037853 /nfs/dbraw/zinc/03/78/53/554037853.db2.gz DGROPGOPQINKJE-VWLOTQADSA-N 0 0 559.619 4.598 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccc(OC)cc2)c1 ZINC000097995827 554038073 /nfs/dbraw/zinc/03/80/73/554038073.db2.gz YHROBXIFRIIUCS-XMMPIXPASA-N 0 0 535.984 4.892 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2Cc2ccc(OC)cc2)c1 ZINC000097995828 554038130 /nfs/dbraw/zinc/03/81/30/554038130.db2.gz YHROBXIFRIIUCS-DEOSSOPVSA-N 0 0 535.984 4.892 50 0 KJAARN O=C1c2ccccc2[C@](O)(Cc2ccccc2)N1CCCCN1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000097995850 554038181 /nfs/dbraw/zinc/03/81/81/554038181.db2.gz HOEINBXCJVUWMG-AQOUDTPCSA-N 0 0 532.640 4.854 50 0 KJAARN O=C1c2ccccc2[C@](O)(Cc2ccccc2)N1CCCCN1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000097995851 554038133 /nfs/dbraw/zinc/03/81/33/554038133.db2.gz HOEINBXCJVUWMG-KKLWWLSJSA-N 0 0 532.640 4.854 50 0 KJAARN O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CCCCN1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000097995852 554038138 /nfs/dbraw/zinc/03/81/38/554038138.db2.gz HOEINBXCJVUWMG-HEVIKAOCSA-N 0 0 532.640 4.854 50 0 KJAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccccc2N(C(=O)Cc2ccccc2)C1(C)C ZINC000097996168 554038388 /nfs/dbraw/zinc/03/83/88/554038388.db2.gz VVNJNCONZYORMR-UHFFFAOYSA-N 0 0 667.783 4.846 50 0 KJAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000097996922 554038646 /nfs/dbraw/zinc/03/86/46/554038646.db2.gz QDENVLGVFNWQBW-PSWAGMNNSA-N 0 0 618.756 4.577 50 0 KJAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000097996923 554038709 /nfs/dbraw/zinc/03/87/09/554038709.db2.gz QDENVLGVFNWQBW-ZEQRLZLVSA-N 0 0 618.756 4.577 50 0 KJAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000097996924 554038655 /nfs/dbraw/zinc/03/86/55/554038655.db2.gz QDENVLGVFNWQBW-DNQXCXABSA-N 0 0 618.756 4.577 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000097996925 554038663 /nfs/dbraw/zinc/03/86/63/554038663.db2.gz APZFRXBHSVABPX-JOCHJYFZSA-N 0 0 540.041 4.897 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000097996926 554038673 /nfs/dbraw/zinc/03/86/73/554038673.db2.gz APZFRXBHSVABPX-QFIPXVFZSA-N 0 0 540.041 4.897 50 0 KJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000097996931 554038705 /nfs/dbraw/zinc/03/87/05/554038705.db2.gz QUIQSHDBEMKVGP-UHFFFAOYSA-N 0 0 529.665 4.859 50 0 KJAARN COc1cc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000097996944 554038930 /nfs/dbraw/zinc/03/89/30/554038930.db2.gz DUQTWNOJOKQOQZ-UHFFFAOYSA-N 0 0 535.578 4.846 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000097996972 554038882 /nfs/dbraw/zinc/03/88/82/554038882.db2.gz OVVMBINCTWKHOS-UHFFFAOYSA-N 0 0 817.090 4.777 50 0 KJAARN O=C(Nc1nnc(CCOCCOCCc2nnc(NC(=O)c3ccccc3I)s2)s1)c1ccccc1I ZINC000097997785 554040560 /nfs/dbraw/zinc/04/05/60/554040560.db2.gz PMTJCNVIIOHRTK-UHFFFAOYSA-N 0 0 776.420 4.922 50 0 KJAARN CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Br)cc1[C@H](NCC(=O)OC)c1ccccc1 ZINC000097997860 554041142 /nfs/dbraw/zinc/04/11/42/554041142.db2.gz PGEDUGADHPVZOB-JYFHCDHNSA-N 0 0 568.468 4.945 50 0 biogenic KJAARN CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Br)cc1[C@H](NCC(=O)OC)c1ccccc1 ZINC000097997861 554041133 /nfs/dbraw/zinc/04/11/33/554041133.db2.gz PGEDUGADHPVZOB-ZEQKJWHPSA-N 0 0 568.468 4.945 50 0 biogenic KJAARN CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Br)cc1[C@@H](NCC(=O)OC)c1ccccc1 ZINC000097997862 554041082 /nfs/dbraw/zinc/04/10/82/554041082.db2.gz PGEDUGADHPVZOB-OZXSUGGESA-N 0 0 568.468 4.945 50 0 biogenic KJAARN CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Br)cc1[C@@H](NCC(=O)OC)c1ccccc1 ZINC000097997863 554041139 /nfs/dbraw/zinc/04/11/39/554041139.db2.gz PGEDUGADHPVZOB-BVAGGSTKSA-N 0 0 568.468 4.945 50 0 biogenic KJAARN COc1cc(/C=C2\N=C(c3c(C)onc3-c3ccccc3)OC2=O)cc(I)c1OC(C)=O ZINC000097997930 554041173 /nfs/dbraw/zinc/04/11/73/554041173.db2.gz HISHZKPVDJBQNF-YVLHZVERSA-N 0 0 544.301 4.533 50 0 KJAARN COC(=O)c1c(COC(=O)/C(=C\c2ccccc2)n2nnnc2C)nc2ccccc2c1-c1ccccc1 ZINC000097997952 1067141263 /nfs/dbraw/zinc/14/12/63/1067141263.db2.gz ZNKDECPBXKEXAV-KOEQRZSOSA-N 0 0 505.534 4.725 50 0 KJAARN CCOC(=O)c1c(NC(=O)COC(=O)C=Cc2ccc(Br)c(Cl)c2)oc(C)c1C(C)=O ZINC000097997964 1067141254 /nfs/dbraw/zinc/14/12/54/1067141254.db2.gz FSWYFDKRYHFYMT-VURMDHGXSA-N 0 0 512.740 4.578 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc(Cc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3)cc2)cc1 ZINC000097998424 554041400 /nfs/dbraw/zinc/04/14/00/554041400.db2.gz HHNZITRKLWKGOQ-UHFFFAOYSA-N 0 0 538.647 4.896 50 0 KJAARN O=C(CCCC(=O)OCC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(Br)cc1 ZINC000097998459 554041396 /nfs/dbraw/zinc/04/13/96/554041396.db2.gz UKUFDHRGYIMXAM-UHFFFAOYSA-N 0 0 526.177 4.534 50 0 KJAARN COc1ccc(CNc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)cc1 ZINC000097999295 554041795 /nfs/dbraw/zinc/04/17/95/554041795.db2.gz SKDNDXJQZUPZDC-UHFFFAOYSA-N 0 0 530.429 4.555 50 0 KJAARN COc1cccc(CNc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)c1 ZINC000097999296 554041761 /nfs/dbraw/zinc/04/17/61/554041761.db2.gz CQJKQXZEYOKDIH-UHFFFAOYSA-N 0 0 530.429 4.555 50 0 KJAARN Cc1ccc(C)c(N2CCN(c3nc4c(S(=O)(=O)c5ccc(Br)cc5)nnn4c4ccccc43)CC2)c1 ZINC000097999298 554041803 /nfs/dbraw/zinc/04/18/03/554041803.db2.gz STZVIHFOIPHWTD-UHFFFAOYSA-N 0 0 577.508 4.816 50 0 KJAARN COc1cc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc32)cc(OC)c1OC ZINC000097999303 554041694 /nfs/dbraw/zinc/04/16/94/554041694.db2.gz VRHMNMHDNDTMMJ-UHFFFAOYSA-N 0 0 525.974 4.533 50 0 KJAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000097999311 554041976 /nfs/dbraw/zinc/04/19/76/554041976.db2.gz CBXHQTGIYAMKDP-UHFFFAOYSA-N 0 0 523.467 4.624 50 0 KJAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1 ZINC000097999312 554041960 /nfs/dbraw/zinc/04/19/60/554041960.db2.gz YVMRDUGBAITBJH-UHFFFAOYSA-N 0 0 523.467 4.624 50 0 KJAARN COc1cc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccc(Cl)cc32)cc(OC)c1OC ZINC000097999324 554041963 /nfs/dbraw/zinc/04/19/63/554041963.db2.gz PNGOEOAULPAIBU-UHFFFAOYSA-N 0 0 540.001 4.842 50 0 KJAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4ccc(F)cc4)CC2)c2cc(Cl)ccc23)cc1 ZINC000097999329 554041935 /nfs/dbraw/zinc/04/19/35/554041935.db2.gz NOANUDVQULTKSF-UHFFFAOYSA-N 0 0 551.047 4.792 50 0 KJAARN CC(C)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(O)n2)cc1 ZINC000097999345 554042385 /nfs/dbraw/zinc/04/23/85/554042385.db2.gz NPJUVVWSLCRWOZ-UHFFFAOYSA-N 0 0 522.446 4.632 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Br)nc2O)cc1 ZINC000097999346 554042297 /nfs/dbraw/zinc/04/22/97/554042297.db2.gz IZEWHHILXPZPHW-UHFFFAOYSA-N 0 0 536.473 4.806 50 0 KJAARN COc1cc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(O)n2)cc1Cl ZINC000097999348 554042371 /nfs/dbraw/zinc/04/23/71/554042371.db2.gz LONHSKJRAYHDKJ-UHFFFAOYSA-N 0 0 552.074 4.714 50 0 KJAARN CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 ZINC000097999398 554042662 /nfs/dbraw/zinc/04/26/62/554042662.db2.gz CFSIFEVQNUPGJV-BRPDVVIDSA-N 0 0 575.694 4.927 50 0 KJAARN CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)c(=O)n2n1 ZINC000097999417 554042942 /nfs/dbraw/zinc/04/29/42/554042942.db2.gz SFSMDRWMGUUXEO-PKAZHMFMSA-N 0 0 563.639 4.931 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCCOC)=C(C)NC(C)=C2C(=O)OCCOC)cc1 ZINC000097999436 554042912 /nfs/dbraw/zinc/04/29/12/554042912.db2.gz UUNIVSTYWPMRHC-UHFFFAOYSA-N 0 0 589.689 4.942 50 0 KJAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)ccc1OC(C)C ZINC000097999470 554043147 /nfs/dbraw/zinc/04/31/47/554043147.db2.gz CHTIUBNHJMKNDU-VEILYXNESA-N 0 0 561.667 4.598 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCCOC)=C(C)NC(C)=C2C(=O)OCCOC)cc1C ZINC000097999569 554044080 /nfs/dbraw/zinc/04/40/80/554044080.db2.gz UKYTXBJSPVNLPA-UHFFFAOYSA-N 0 0 589.689 4.860 50 0 KJAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)cc1 ZINC000097999623 554044733 /nfs/dbraw/zinc/04/47/33/554044733.db2.gz DNLWDKDUBHOSTP-UHFFFAOYSA-N 0 0 563.705 4.861 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000097999649 554044914 /nfs/dbraw/zinc/04/49/14/554044914.db2.gz UDWXUWMJGPUJPH-HHHXNRCGSA-N 0 0 600.697 4.530 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000097999650 554044845 /nfs/dbraw/zinc/04/48/45/554044845.db2.gz UDWXUWMJGPUJPH-MHZLTWQESA-N 0 0 600.697 4.530 50 0 KJAARN Cc1ccc(-c2nn(CC(=O)Nc3cc(-c4nn(C)c(=O)c5ccccc54)ccc3N3CCOCC3)c(=O)c3ccccc32)cc1 ZINC000097999857 554046513 /nfs/dbraw/zinc/04/65/13/554046513.db2.gz IDJKPTDSJWEQCG-UHFFFAOYSA-N 0 0 612.690 4.761 50 0 KJAARN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O ZINC000098000045 554048168 /nfs/dbraw/zinc/04/81/68/554048168.db2.gz SNGXXEKXFMUSCV-UHFFFAOYSA-N 0 0 557.610 4.933 50 0 KJAARN O=C(Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3Cl)c2)c2ccccc2c1=O)N1CCCCC1 ZINC000098000099 554048413 /nfs/dbraw/zinc/04/84/13/554048413.db2.gz MHZLWPYXRCTUBE-UHFFFAOYSA-N 0 0 586.092 4.818 50 0 KJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1C ZINC000098000116 554048744 /nfs/dbraw/zinc/04/87/44/554048744.db2.gz LBVBKVKUANEWNC-BRPDVVIDSA-N 0 0 575.694 4.990 50 0 KJAARN CCOC(=O)C(=Cc1ccc(OCCCCOc2ccc(C=C(C(=O)OCC)C(=O)OCC)cc2)cc1)C(=O)OCC ZINC000098000136 554048774 /nfs/dbraw/zinc/04/87/74/554048774.db2.gz FBCZKMVGUKTRBO-UHFFFAOYSA-N 0 0 582.646 4.944 50 0 KJAARN COc1ccc(CCN2C(=S)N(c3ccc(N(C)C)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000098000137 554048751 /nfs/dbraw/zinc/04/87/51/554048751.db2.gz HTPGHQXCQNSTJI-RUZDIDTESA-N 0 0 546.693 4.652 50 0 KJAARN COc1ccc(CCN2C(=S)N(c3ccc(N(C)C)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000098000138 554048770 /nfs/dbraw/zinc/04/87/70/554048770.db2.gz HTPGHQXCQNSTJI-VWLOTQADSA-N 0 0 546.693 4.652 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000098000186 554048916 /nfs/dbraw/zinc/04/89/16/554048916.db2.gz ZMMQBGOPAPSZHI-OAQYLSRUSA-N 0 0 573.568 4.946 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000098000187 554048900 /nfs/dbraw/zinc/04/89/00/554048900.db2.gz ZMMQBGOPAPSZHI-NRFANRHFSA-N 0 0 573.568 4.946 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000098000206 554049295 /nfs/dbraw/zinc/04/92/95/554049295.db2.gz QRKDORUFXCXMJO-HSZRJFAPSA-N 0 0 565.623 4.551 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000098000207 554049284 /nfs/dbraw/zinc/04/92/84/554049284.db2.gz QRKDORUFXCXMJO-QHCPKHFHSA-N 0 0 565.623 4.551 50 0 KJAARN COc1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)c(OC)c1 ZINC000098000237 554049499 /nfs/dbraw/zinc/04/94/99/554049499.db2.gz NGVZTAFDTLEXRX-UHFFFAOYSA-N 0 0 551.694 4.703 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2Cc2cccs2)cc1 ZINC000098000238 554049490 /nfs/dbraw/zinc/04/94/90/554049490.db2.gz AKKFNVFNFFGEQI-HSZRJFAPSA-N 0 0 565.673 4.633 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2Cc2cccs2)cc1 ZINC000098000239 554049469 /nfs/dbraw/zinc/04/94/69/554049469.db2.gz AKKFNVFNFFGEQI-QHCPKHFHSA-N 0 0 565.673 4.633 50 0 KJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000098000331 554050221 /nfs/dbraw/zinc/05/02/21/554050221.db2.gz YKRMTZZZKCFQLD-QHCPKHFHSA-N 0 0 554.068 4.939 50 0 KJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3ccc(OC)c(OC)c3)C2=S)cc1 ZINC000098000332 554050270 /nfs/dbraw/zinc/05/02/70/554050270.db2.gz YKRMTZZZKCFQLD-HSZRJFAPSA-N 0 0 554.068 4.939 50 0 KJAARN COc1cc(COc2ccc3c(C)c(CC(=O)N4CC[C@@]5(O)CCCC[C@@H]5C4)c(=O)oc3c2C)cc(OC)c1OC ZINC000098000355 554050448 /nfs/dbraw/zinc/05/04/48/554050448.db2.gz GKONWEVJMOMYAD-KCEHZKJRSA-N 0 0 565.663 4.711 50 0 biogenic KJAARN COc1cc(COc2ccc3c(C)c(CC(=O)N4CC[C@]5(O)CCCC[C@H]5C4)c(=O)oc3c2C)cc(OC)c1OC ZINC000098000356 554050457 /nfs/dbraw/zinc/05/04/57/554050457.db2.gz GKONWEVJMOMYAD-GHRAFVERSA-N 0 0 565.663 4.711 50 0 biogenic KJAARN Cc1cc(Cl)ccc1N(CC(=O)NCCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000098001223 554051874 /nfs/dbraw/zinc/05/18/74/554051874.db2.gz KQMXYNSKQHLFOR-UHFFFAOYSA-N 0 0 703.670 4.933 50 0 KJAARN COc1ccc(Cl)cc1N(CC(=O)NCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000098001565 554052837 /nfs/dbraw/zinc/05/28/37/554052837.db2.gz KKBLHMCMZJLIKU-UHFFFAOYSA-N 0 0 749.695 4.724 50 0 KJAARN CCOC(=O)c1c(CN2CCN(c3ccccc3)CC2)n(C)c2ccc(OC)c(S(=O)(=O)c3ccccc3)c21 ZINC000098001703 554053078 /nfs/dbraw/zinc/05/30/78/554053078.db2.gz YHLDZMWWBZKTQW-UHFFFAOYSA-N 0 0 547.677 4.519 50 0 KJAARN CCOC(=O)/C=C\c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000098001790 1067141998 /nfs/dbraw/zinc/14/19/98/1067141998.db2.gz HTLNICWVGDWBHO-YVLHZVERSA-N 0 0 513.015 4.746 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2C)cc1 ZINC000098002533 554053099 /nfs/dbraw/zinc/05/30/99/554053099.db2.gz NGKTYTDWYUTBJW-GDLZYMKVSA-N 0 0 676.861 4.632 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2C)cc1 ZINC000098002534 554053083 /nfs/dbraw/zinc/05/30/83/554053083.db2.gz NGKTYTDWYUTBJW-LJAQVGFWSA-N 0 0 676.861 4.632 50 0 KJAARN COc1ccc(OC)c(N(CC(=O)NCCCCCCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000098002551 554053341 /nfs/dbraw/zinc/05/33/41/554053341.db2.gz LFDOQUHKSZLWEE-UHFFFAOYSA-N 0 0 782.938 4.605 50 0 KJAARN COc1cc2nc(-c3ccc(N4C(=O)c5ccc(-c6nc7cc(OC)c(OC)cc7c(=O)o6)cc5C4=O)cc3)oc(=O)c2cc1OC ZINC000098002555 554053349 /nfs/dbraw/zinc/05/33/49/554053349.db2.gz PFHMSXRHUHFZCX-UHFFFAOYSA-N 0 0 633.569 4.858 50 0 KJAARN Cc1ccc(C(=O)c2cccc(NC(=O)c3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)c2)cc1C ZINC000098002562 554053344 /nfs/dbraw/zinc/05/33/44/554053344.db2.gz MNAKHKHTNQEKGQ-UHFFFAOYSA-N 0 0 543.535 4.594 50 0 KJAARN COc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(OC)cc4)c3)ccc2C)cc1 ZINC000098002592 554053722 /nfs/dbraw/zinc/05/37/22/554053722.db2.gz WRONUURYKMSWCJ-UHFFFAOYSA-N 0 0 616.739 4.755 50 0 KJAARN CC(=O)Oc1ccc2nc(-c3ccc(N4C(=O)c5ccc(-c6nc7ccc(OC(C)=O)cc7c(=O)o6)cc5C4=O)cc3)oc(=O)c2c1 ZINC000098002646 554053842 /nfs/dbraw/zinc/05/38/42/554053842.db2.gz JFADAJFHDRVJDZ-UHFFFAOYSA-N 0 0 629.537 4.675 50 0 KJAARN CCOc1ccc2nc(SCC(=O)Nc3ccc4nc(SCC(=O)N5CCOCC5)sc4c3)sc2c1 ZINC000098002704 554054273 /nfs/dbraw/zinc/05/42/73/554054273.db2.gz YFDXHXIFHUVSSJ-UHFFFAOYSA-N 0 0 560.748 4.986 50 0 KJAARN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 ZINC000098002705 554054234 /nfs/dbraw/zinc/05/42/34/554054234.db2.gz IQRACBCEOOZONR-UHFFFAOYSA-N 0 0 604.783 4.851 50 0 KJAARN O=C(CSCC(=O)Nc1ccc2ccccc2c1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 ZINC000098002708 554054292 /nfs/dbraw/zinc/05/42/92/554054292.db2.gz DSBHXRLUDGSMOD-UHFFFAOYSA-N 0 0 566.730 4.711 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H](C)S[C@@]23c2ccccc2N(CN2CCN(c4ccc(F)cc4)CC2)C3=O)cc1 ZINC000098003521 554054708 /nfs/dbraw/zinc/05/47/08/554054708.db2.gz YLEGDBTXHWJUPB-URAOTHONSA-N 0 0 546.668 4.672 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H](C)S[C@@]23c2ccccc2N(CN2CCN(c4ccc(F)cc4)CC2)C3=O)cc1 ZINC000098003522 554054774 /nfs/dbraw/zinc/05/47/74/554054774.db2.gz YLEGDBTXHWJUPB-IIMAJNMQSA-N 0 0 546.668 4.672 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H](C)S[C@]23c2ccccc2N(CN2CCN(c4ccc(F)cc4)CC2)C3=O)cc1 ZINC000098003523 554054762 /nfs/dbraw/zinc/05/47/62/554054762.db2.gz YLEGDBTXHWJUPB-JRPXNJEYSA-N 0 0 546.668 4.672 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H](C)S[C@]23c2ccccc2N(CN2CCN(c4ccc(F)cc4)CC2)C3=O)cc1 ZINC000098003524 554054800 /nfs/dbraw/zinc/05/48/00/554054800.db2.gz YLEGDBTXHWJUPB-DFXYEROKSA-N 0 0 546.668 4.672 50 0 KJAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1 ZINC000098003585 554055050 /nfs/dbraw/zinc/05/50/50/554055050.db2.gz HIEZJCKWAMMARJ-UHFFFAOYSA-N 0 0 574.684 4.954 50 0 KJAARN CCOc1ccc(CCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC ZINC000098003698 554056070 /nfs/dbraw/zinc/05/60/70/554056070.db2.gz QMTMATJPKVOVMO-RUZDIDTESA-N 0 0 593.677 4.983 50 0 KJAARN CCOc1ccc(CCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC ZINC000098003699 554056001 /nfs/dbraw/zinc/05/60/01/554056001.db2.gz QMTMATJPKVOVMO-VWLOTQADSA-N 0 0 593.677 4.983 50 0 KJAARN Cc1nc2ccc(-c3ccc4nc(C)n(-c5ccc6c(c5)OCO6)c(=O)c4c3)cc2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000098003739 554056309 /nfs/dbraw/zinc/05/63/09/554056309.db2.gz MSAMTLAVXFLICM-UHFFFAOYSA-N 0 0 558.550 4.826 50 0 KJAARN CCCC[C@@H](CC)Cn1c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000098005047 554056455 /nfs/dbraw/zinc/05/64/55/554056455.db2.gz OZFGMJDXWHDYHY-OAHLLOKOSA-N 0 0 558.051 4.549 50 0 KJAARN CCCC[C@H](CC)Cn1c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000098005048 554056459 /nfs/dbraw/zinc/05/64/59/554056459.db2.gz OZFGMJDXWHDYHY-HNNXBMFYSA-N 0 0 558.051 4.549 50 0 KJAARN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1 ZINC000098005099 554056786 /nfs/dbraw/zinc/05/67/86/554056786.db2.gz BEQUUWQJVRWMDB-FQEVSTJZSA-N 0 0 531.396 4.808 50 0 KJAARN O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000098005137 554057147 /nfs/dbraw/zinc/05/71/47/554057147.db2.gz RMIASYDCCQFMBO-FQEVSTJZSA-N 0 0 531.396 4.808 50 0 KJAARN CCOC(=O)Cc1nnc(NC(=O)[C@H](CC)Sc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)s1 ZINC000098005140 554057199 /nfs/dbraw/zinc/05/71/99/554057199.db2.gz RRWIVDJQRDJMES-FQEVSTJZSA-N 0 0 561.693 4.689 50 0 KJAARN CCOC(=O)Cc1nnc(NC(=O)[C@@H](CC)Sc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)s1 ZINC000098005141 554057087 /nfs/dbraw/zinc/05/70/87/554057087.db2.gz RRWIVDJQRDJMES-HXUWFJFHSA-N 0 0 561.693 4.689 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000098005197 554057701 /nfs/dbraw/zinc/05/77/01/554057701.db2.gz SOTKSLJFGJLBCM-HXUWFJFHSA-N 0 0 559.541 4.951 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000098005198 554057715 /nfs/dbraw/zinc/05/77/15/554057715.db2.gz SOTKSLJFGJLBCM-FQEVSTJZSA-N 0 0 559.541 4.951 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000098005199 554057745 /nfs/dbraw/zinc/05/77/45/554057745.db2.gz MVUSIKHNNLESKV-AREMUKBSSA-N 0 0 588.661 4.660 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000098005200 554057775 /nfs/dbraw/zinc/05/77/75/554057775.db2.gz MVUSIKHNNLESKV-SANMLTNESA-N 0 0 588.661 4.660 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000098005201 554057735 /nfs/dbraw/zinc/05/77/35/554057735.db2.gz QKMPNXLHQZHNLR-HHHXNRCGSA-N 0 0 584.698 4.517 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000098005202 554057710 /nfs/dbraw/zinc/05/77/10/554057710.db2.gz QKMPNXLHQZHNLR-MHZLTWQESA-N 0 0 584.698 4.517 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000098005203 554057790 /nfs/dbraw/zinc/05/77/90/554057790.db2.gz GQRBENKMCXXCFG-MUUNZHRXSA-N 0 0 642.734 4.698 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000098005204 554057752 /nfs/dbraw/zinc/05/77/52/554057752.db2.gz GQRBENKMCXXCFG-NDEPHWFRSA-N 0 0 642.734 4.698 50 0 KJAARN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2)cc1 ZINC000098005205 554057722 /nfs/dbraw/zinc/05/77/22/554057722.db2.gz IVWOWUFIEDYRSO-GOSISDBHSA-N 0 0 542.419 4.689 50 0 KJAARN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2)cc1 ZINC000098005206 554057770 /nfs/dbraw/zinc/05/77/70/554057770.db2.gz IVWOWUFIEDYRSO-SFHVURJKSA-N 0 0 542.419 4.689 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000098005767 554058528 /nfs/dbraw/zinc/05/85/28/554058528.db2.gz RYOUFEFOENLQLU-HHHXNRCGSA-N 0 0 556.688 4.739 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000098005768 554058554 /nfs/dbraw/zinc/05/85/54/554058554.db2.gz RYOUFEFOENLQLU-MHZLTWQESA-N 0 0 556.688 4.739 50 0 KJAARN CN(C[C@@H](CC(=O)OCC(=O)c1ccc(Br)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000098005776 554058501 /nfs/dbraw/zinc/05/85/01/554058501.db2.gz DNIANRPMXZTJFF-OAQYLSRUSA-N 0 0 530.440 4.670 50 0 KJAARN CN(C[C@H](CC(=O)OCC(=O)c1ccc(Br)cc1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000098005777 554058519 /nfs/dbraw/zinc/05/85/19/554058519.db2.gz DNIANRPMXZTJFF-NRFANRHFSA-N 0 0 530.440 4.670 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000098005779 554058503 /nfs/dbraw/zinc/05/85/03/554058503.db2.gz ZWUCOTLNRAQMBT-HSZRJFAPSA-N 0 0 571.577 4.899 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000098005780 554058597 /nfs/dbraw/zinc/05/85/97/554058597.db2.gz ZWUCOTLNRAQMBT-QHCPKHFHSA-N 0 0 571.577 4.899 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098005831 554058768 /nfs/dbraw/zinc/05/87/68/554058768.db2.gz ACEJDVOQVXBMIP-HSZRJFAPSA-N 0 0 538.000 4.775 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098005832 554059195 /nfs/dbraw/zinc/05/91/95/554059195.db2.gz ACEJDVOQVXBMIP-QHCPKHFHSA-N 0 0 538.000 4.775 50 0 KJAARN COc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1S(=O)(=O)N1C[C@H](c2ccccc2)CC1=O ZINC000098005941 554059872 /nfs/dbraw/zinc/05/98/72/554059872.db2.gz BMSUFXUMVJWQBB-LJQANCHMSA-N 0 0 599.090 4.736 50 0 KJAARN COc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1S(=O)(=O)N1C[C@@H](c2ccccc2)CC1=O ZINC000098005942 554059930 /nfs/dbraw/zinc/05/99/30/554059930.db2.gz BMSUFXUMVJWQBB-IBGZPJMESA-N 0 0 599.090 4.736 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCN(c3nc(F)c(F)c(Sc4ccc(Cl)cc4)c3F)CC2)cc1 ZINC000098006017 554060190 /nfs/dbraw/zinc/06/01/90/554060190.db2.gz OCQQYTAPYDZKFH-UHFFFAOYSA-N 0 0 529.993 4.823 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000098006333 554061446 /nfs/dbraw/zinc/06/14/46/554061446.db2.gz QJFAECAGKRWJHW-QHCPKHFHSA-N 0 0 537.663 4.507 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000098006334 554061534 /nfs/dbraw/zinc/06/15/34/554061534.db2.gz QJFAECAGKRWJHW-HSZRJFAPSA-N 0 0 537.663 4.507 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000098006335 554061467 /nfs/dbraw/zinc/06/14/67/554061467.db2.gz ZTWOMNGOIQHJAX-QFIPXVFZSA-N 0 0 525.627 4.638 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000098006336 554061426 /nfs/dbraw/zinc/06/14/26/554061426.db2.gz ZTWOMNGOIQHJAX-JOCHJYFZSA-N 0 0 525.627 4.638 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000098006339 554061457 /nfs/dbraw/zinc/06/14/57/554061457.db2.gz XQEYZLGYRWPPBY-XMMPIXPASA-N 0 0 551.690 4.897 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCc3cccs3)C2=S)cc1 ZINC000098006340 554061505 /nfs/dbraw/zinc/06/15/05/554061505.db2.gz XQEYZLGYRWPPBY-DEOSSOPVSA-N 0 0 551.690 4.897 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCc3sccc3C)C2=S)cc1 ZINC000098006341 554061451 /nfs/dbraw/zinc/06/14/51/554061451.db2.gz ZTTMUEHDQWXLPD-QFIPXVFZSA-N 0 0 539.654 4.946 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCc3sccc3C)C2=S)cc1 ZINC000098006342 554061486 /nfs/dbraw/zinc/06/14/86/554061486.db2.gz ZTTMUEHDQWXLPD-JOCHJYFZSA-N 0 0 539.654 4.946 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2sccc2C)cc1 ZINC000098006347 554061499 /nfs/dbraw/zinc/06/14/99/554061499.db2.gz ZIPRAJUBEKKIAC-HSZRJFAPSA-N 0 0 551.690 4.815 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2sccc2C)cc1 ZINC000098006348 554061465 /nfs/dbraw/zinc/06/14/65/554061465.db2.gz ZIPRAJUBEKKIAC-QHCPKHFHSA-N 0 0 551.690 4.815 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCc2sccc2C)cc1 ZINC000098006349 554061436 /nfs/dbraw/zinc/06/14/36/554061436.db2.gz OXLYVVJHPKBJTR-XMMPIXPASA-N 0 0 593.727 4.984 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCc2sccc2C)cc1 ZINC000098006350 554061513 /nfs/dbraw/zinc/06/15/13/554061513.db2.gz OXLYVVJHPKBJTR-DEOSSOPVSA-N 0 0 593.727 4.984 50 0 KJAARN CCCC(=O)N1c2ccc(OCC)cc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C ZINC000098006801 554062086 /nfs/dbraw/zinc/06/20/86/554062086.db2.gz SDUGDYZFPRABGT-UHFFFAOYSA-N 0 0 663.792 4.803 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3sccc3C)C2=S)cc1 ZINC000098007020 554062404 /nfs/dbraw/zinc/06/24/04/554062404.db2.gz LOKSXQKICZAZSQ-QHCPKHFHSA-N 0 0 551.690 4.815 50 0 KJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3sccc3C)C2=S)cc1 ZINC000098007021 554062427 /nfs/dbraw/zinc/06/24/27/554062427.db2.gz LOKSXQKICZAZSQ-HSZRJFAPSA-N 0 0 551.690 4.815 50 0 KJAARN CCOC(=O)C1=C(CSc2nc3cc(OCC)ccc3[nH]2)NC(=O)N[C@@H]1c1cc(OCC)ccc1OCC ZINC000098007032 554062605 /nfs/dbraw/zinc/06/26/05/554062605.db2.gz HTBFFPJTYLMVGS-XMMPIXPASA-N 0 0 540.642 4.722 50 0 KJAARN CCOC(=O)C1=C(CSc2nc3cc(OCC)ccc3[nH]2)NC(=O)N[C@H]1c1cc(OCC)ccc1OCC ZINC000098007033 554062701 /nfs/dbraw/zinc/06/27/01/554062701.db2.gz HTBFFPJTYLMVGS-DEOSSOPVSA-N 0 0 540.642 4.722 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2sccc2C)cc1 ZINC000098007040 554062690 /nfs/dbraw/zinc/06/26/90/554062690.db2.gz ZGQOACBEKKSAJK-JOCHJYFZSA-N 0 0 539.654 4.946 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCc2sccc2C)cc1 ZINC000098007041 554062595 /nfs/dbraw/zinc/06/25/95/554062595.db2.gz ZGQOACBEKKSAJK-QFIPXVFZSA-N 0 0 539.654 4.946 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2cc(OC)c(OC)cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000098007097 554063295 /nfs/dbraw/zinc/06/32/95/554063295.db2.gz UYJHTOQXCSODAM-UHFFFAOYSA-N 0 0 718.803 4.948 50 0 KJAARN O=C(N[C@@H](Cc1cccnc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)OCC1c2ccccc2-c2ccccc21 ZINC000098007941 554064735 /nfs/dbraw/zinc/06/47/35/554064735.db2.gz GOLHDODAYNQSMY-LJAQVGFWSA-N 0 0 557.610 4.920 50 0 KJAARN O=C(N[C@H](Cc1cccnc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)OCC1c2ccccc2-c2ccccc21 ZINC000098007942 554065057 /nfs/dbraw/zinc/06/50/57/554065057.db2.gz GOLHDODAYNQSMY-GDLZYMKVSA-N 0 0 557.610 4.920 50 0 KJAARN CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCCN23)c2ccccc21 ZINC000098007962 554065074 /nfs/dbraw/zinc/06/50/74/554065074.db2.gz NFUKRLRCVZFCOA-VGBJTSDXSA-N 0 0 547.611 4.740 50 0 KJAARN CCOc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)nc2c1 ZINC000098007983 554065409 /nfs/dbraw/zinc/06/54/09/554065409.db2.gz JNDJOJUUJRBQDB-HHHXNRCGSA-N 0 0 566.705 4.603 50 0 KJAARN CCOc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)nc2c1 ZINC000098007984 554065374 /nfs/dbraw/zinc/06/53/74/554065374.db2.gz JNDJOJUUJRBQDB-MHZLTWQESA-N 0 0 566.705 4.603 50 0 KJAARN Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N3CCN(c4nc5ccccc5nc4-c4ccccc4)CC3)cc2)n1C ZINC000098007996 554065401 /nfs/dbraw/zinc/06/54/01/554065401.db2.gz MSQAVQRTNPUCEP-UHFFFAOYSA-N 0 0 582.730 4.729 50 0 KJAARN Cc1c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)s2)c(=O)n(-c2ccccc2)n1C ZINC000098008033 554065728 /nfs/dbraw/zinc/06/57/28/554065728.db2.gz MEUOGAQNYAZWEN-UHFFFAOYSA-N 0 0 536.466 4.953 50 0 KJAARN Cc1c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000098008152 554066687 /nfs/dbraw/zinc/06/66/87/554066687.db2.gz VMGCAAKATMSJIG-UHFFFAOYSA-N 0 0 532.029 4.511 50 0 KJAARN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2-c2ccc(C(C)=O)cc2)c1 ZINC000098008159 554066639 /nfs/dbraw/zinc/06/66/39/554066639.db2.gz QPPYUNSWMZDEKL-UHFFFAOYSA-N 0 0 598.685 4.683 50 0 KJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=S)N2CCc2ccc(Cl)cc2)cc1 ZINC000098008213 554066919 /nfs/dbraw/zinc/06/69/19/554066919.db2.gz ROCKOGBJDLUWGN-JOCHJYFZSA-N 0 0 538.025 4.651 50 0 KJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=S)N2CCc2ccc(Cl)cc2)cc1 ZINC000098008214 554067005 /nfs/dbraw/zinc/06/70/05/554067005.db2.gz 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ZINC000098011204 554078618 /nfs/dbraw/zinc/07/86/18/554078618.db2.gz SBUQWOWUMXPOHK-WJOKGBTCSA-N 0 0 602.688 4.724 50 0 KJAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(-c2ccccc2)nn3-c2ccc(F)cc2)c1 ZINC000098011205 554078487 /nfs/dbraw/zinc/07/84/87/554078487.db2.gz SBUQWOWUMXPOHK-HKBQPEDESA-N 0 0 602.688 4.724 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2cc(OC)ccc2OC)SCC1=O ZINC000098011206 554078533 /nfs/dbraw/zinc/07/85/33/554078533.db2.gz SLFYNSIIUFOPHF-PMERELPUSA-N 0 0 590.677 4.627 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2cc(OC)ccc2OC)SCC1=O ZINC000098011207 554078538 /nfs/dbraw/zinc/07/85/38/554078538.db2.gz SLFYNSIIUFOPHF-SSEXGKCCSA-N 0 0 590.677 4.627 50 0 KJAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(N)=O)c3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000098011220 554078519 /nfs/dbraw/zinc/07/85/19/554078519.db2.gz FPIXXBREUZJSRJ-NDEPHWFRSA-N 0 0 528.634 4.519 50 0 KJAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(N)=O)c3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000098011221 554078819 /nfs/dbraw/zinc/07/88/19/554078819.db2.gz FPIXXBREUZJSRJ-MUUNZHRXSA-N 0 0 528.634 4.519 50 0 KJAARN COc1ccc([C@@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(-c2ccccc2)nn3-c2cccc(C)c2)cc1OC ZINC000098011338 554079703 /nfs/dbraw/zinc/07/97/03/554079703.db2.gz AVZNTRDGUYPYCE-YTTGMZPUSA-N 0 0 598.725 4.893 50 0 KJAARN COc1ccc([C@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(-c2ccccc2)nn3-c2cccc(C)c2)cc1OC ZINC000098011339 554079709 /nfs/dbraw/zinc/07/97/09/554079709.db2.gz AVZNTRDGUYPYCE-JGCGQSQUSA-N 0 0 598.725 4.893 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2cccc(C)c2)[C@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011340 554079764 /nfs/dbraw/zinc/07/97/64/554079764.db2.gz DSRVFTJXFTTWGW-HKBQPEDESA-N 0 0 586.714 4.797 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2cccc(C)c2)[C@@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011341 554079706 /nfs/dbraw/zinc/07/97/06/554079706.db2.gz DSRVFTJXFTTWGW-WJOKGBTCSA-N 0 0 586.714 4.797 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2cccc(C)c2)[C@H](c2ccccc2F)SCC1=O ZINC000098011356 554079917 /nfs/dbraw/zinc/07/99/17/554079917.db2.gz GYUIGCTYXRDLIJ-LJAQVGFWSA-N 0 0 544.652 4.919 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2cccc(C)c2)[C@@H](c2ccccc2F)SCC1=O ZINC000098011357 554079944 /nfs/dbraw/zinc/07/99/44/554079944.db2.gz GYUIGCTYXRDLIJ-GDLZYMKVSA-N 0 0 544.652 4.919 50 0 KJAARN Cn1nc(-c2ccccc2)c2c1N(CC(=O)NCc1ccc(F)cc1)C(=O)CS[C@H]2c1ccc(F)cc1F ZINC000098011376 554079969 /nfs/dbraw/zinc/07/99/69/554079969.db2.gz LMXBEUDOYQMUFK-MHZLTWQESA-N 0 0 536.579 4.990 50 0 KJAARN Cn1nc(-c2ccccc2)c2c1N(CC(=O)NCc1ccc(F)cc1)C(=O)CS[C@@H]2c1ccc(F)cc1F ZINC000098011377 554080281 /nfs/dbraw/zinc/08/02/81/554080281.db2.gz LMXBEUDOYQMUFK-HHHXNRCGSA-N 0 0 536.579 4.990 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000098011394 554080319 /nfs/dbraw/zinc/08/03/19/554080319.db2.gz IOFREJCOWULWPV-XMMPIXPASA-N 0 0 545.080 4.894 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@H](c2ccc(F)cc2)SCC1=O ZINC000098011395 554080289 /nfs/dbraw/zinc/08/02/89/554080289.db2.gz IOFREJCOWULWPV-DEOSSOPVSA-N 0 0 545.080 4.894 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@@H](c2ccsc2)SCC1=O ZINC000098011412 554080500 /nfs/dbraw/zinc/08/05/00/554080500.db2.gz LAIXRRQNENCJIG-JOCHJYFZSA-N 0 0 533.119 4.817 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@H](c2ccsc2)SCC1=O ZINC000098011413 554080543 /nfs/dbraw/zinc/08/05/43/554080543.db2.gz LAIXRRQNENCJIG-QFIPXVFZSA-N 0 0 533.119 4.817 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2ccccc2Cl)SCC1=O ZINC000098011420 554080563 /nfs/dbraw/zinc/08/05/63/554080563.db2.gz SBZNJISMWHVJCF-RUZDIDTESA-N 0 0 557.116 4.764 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2ccccc2Cl)SCC1=O ZINC000098011421 554080572 /nfs/dbraw/zinc/08/05/72/554080572.db2.gz SBZNJISMWHVJCF-VWLOTQADSA-N 0 0 557.116 4.764 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000098011442 554080560 /nfs/dbraw/zinc/08/05/60/554080560.db2.gz IQRAXMWSNCSRAD-MUUNZHRXSA-N 0 0 578.735 4.987 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000098011443 554080918 /nfs/dbraw/zinc/08/09/18/554080918.db2.gz IQRAXMWSNCSRAD-NDEPHWFRSA-N 0 0 578.735 4.987 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011450 554080885 /nfs/dbraw/zinc/08/08/85/554080885.db2.gz YILXUDGKTRFKTN-MHZLTWQESA-N 0 0 566.724 4.891 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011451 554080888 /nfs/dbraw/zinc/08/08/88/554080888.db2.gz YILXUDGKTRFKTN-HHHXNRCGSA-N 0 0 566.724 4.891 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000098011458 554080913 /nfs/dbraw/zinc/08/09/13/554080913.db2.gz LOJKXHPPKOKYQL-NBGIEHNGSA-N 0 0 554.738 4.704 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000098011459 554080862 /nfs/dbraw/zinc/08/08/62/554080862.db2.gz LOJKXHPPKOKYQL-CPJSRVTESA-N 0 0 554.738 4.704 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000098011460 554080894 /nfs/dbraw/zinc/08/08/94/554080894.db2.gz LOJKXHPPKOKYQL-CJFMBICVSA-N 0 0 554.738 4.704 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000098011461 554080900 /nfs/dbraw/zinc/08/09/00/554080900.db2.gz LOJKXHPPKOKYQL-NLFFAJNJSA-N 0 0 554.738 4.704 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC(C)C)C(=O)CS[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000098011462 554080856 /nfs/dbraw/zinc/08/08/56/554080856.db2.gz LSSMUZKIZKGBBI-MHZLTWQESA-N 0 0 566.724 4.889 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC(C)C)C(=O)CS[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000098011463 554080859 /nfs/dbraw/zinc/08/08/59/554080859.db2.gz LSSMUZKIZKGBBI-HHHXNRCGSA-N 0 0 566.724 4.889 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2cc(OC)ccc2OC)SCC1=O ZINC000098011464 554080891 /nfs/dbraw/zinc/08/08/91/554080891.db2.gz OQVSCAZOOLAORC-MHZLTWQESA-N 0 0 566.724 4.891 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2cc(OC)ccc2OC)SCC1=O ZINC000098011465 554080897 /nfs/dbraw/zinc/08/08/97/554080897.db2.gz OQVSCAZOOLAORC-HHHXNRCGSA-N 0 0 566.724 4.891 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000098011466 554080857 /nfs/dbraw/zinc/08/08/57/554080857.db2.gz IHTQEMXFOTZNFO-MUAVYFROSA-N 0 0 608.761 4.660 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000098011467 554080903 /nfs/dbraw/zinc/08/09/03/554080903.db2.gz IHTQEMXFOTZNFO-IADCTJSHSA-N 0 0 608.761 4.660 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000098011468 554080869 /nfs/dbraw/zinc/08/08/69/554080869.db2.gz IHTQEMXFOTZNFO-RNWIMVQKSA-N 0 0 608.761 4.660 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000098011469 554080863 /nfs/dbraw/zinc/08/08/63/554080863.db2.gz IHTQEMXFOTZNFO-BTYSJIOQSA-N 0 0 608.761 4.660 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)N1CCOCC1)C(=O)CS[C@H]2c1ccccc1F ZINC000098011482 554081145 /nfs/dbraw/zinc/08/11/45/554081145.db2.gz DBCPNSLPAMHBBQ-SANMLTNESA-N 0 0 536.673 4.645 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)N1CCOCC1)C(=O)CS[C@@H]2c1ccccc1F ZINC000098011483 554081102 /nfs/dbraw/zinc/08/11/02/554081102.db2.gz DBCPNSLPAMHBBQ-AREMUKBSSA-N 0 0 536.673 4.645 50 0 KJAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NC3CC3)c3c2c(C(C)(C)C)nn3-c2ccccc2C)c1 ZINC000098011498 554081225 /nfs/dbraw/zinc/08/12/25/554081225.db2.gz AZZKXTRKBBMMEM-MHZLTWQESA-N 0 0 548.709 4.943 50 0 KJAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NC3CC3)c3c2c(C(C)(C)C)nn3-c2ccccc2C)c1 ZINC000098011499 554081236 /nfs/dbraw/zinc/08/12/36/554081236.db2.gz AZZKXTRKBBMMEM-HHHXNRCGSA-N 0 0 548.709 4.943 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1F)SCC(=O)N2CC(=O)NC[C@@H]1CCCO1 ZINC000098011522 554081546 /nfs/dbraw/zinc/08/15/46/554081546.db2.gz FBHSANLBQAJPDE-RXFWQSSRSA-N 0 0 554.663 4.912 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1F)SCC(=O)N2CC(=O)NC[C@@H]1CCCO1 ZINC000098011523 554081542 /nfs/dbraw/zinc/08/15/42/554081542.db2.gz FBHSANLBQAJPDE-FNZWTVRRSA-N 0 0 554.663 4.912 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1F)SCC(=O)N2CC(=O)NC[C@H]1CCCO1 ZINC000098011524 554081491 /nfs/dbraw/zinc/08/14/91/554081491.db2.gz FBHSANLBQAJPDE-FQRUVTKNSA-N 0 0 554.663 4.912 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1F)SCC(=O)N2CC(=O)NC[C@H]1CCCO1 ZINC000098011525 554081552 /nfs/dbraw/zinc/08/15/52/554081552.db2.gz FBHSANLBQAJPDE-IBVKSMDESA-N 0 0 554.663 4.912 50 0 KJAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NC3CC3)c3c2c(C(C)(C)C)nn3-c2ccc(F)cc2)c1 ZINC000098011530 554081510 /nfs/dbraw/zinc/08/15/10/554081510.db2.gz WHJZWFJMGBOFRL-AREMUKBSSA-N 0 0 552.672 4.774 50 0 KJAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NC3CC3)c3c2c(C(C)(C)C)nn3-c2ccc(F)cc2)c1 ZINC000098011531 554081563 /nfs/dbraw/zinc/08/15/63/554081563.db2.gz WHJZWFJMGBOFRL-SANMLTNESA-N 0 0 552.672 4.774 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011548 554081906 /nfs/dbraw/zinc/08/19/06/554081906.db2.gz IOFKHQRFLCTUMQ-NDEPHWFRSA-N 0 0 580.751 4.817 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011549 554082004 /nfs/dbraw/zinc/08/20/04/554082004.db2.gz IOFKHQRFLCTUMQ-MUUNZHRXSA-N 0 0 580.751 4.817 50 0 KJAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)N3CCN(C(C)=O)CC3)c3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000098011574 554082360 /nfs/dbraw/zinc/08/23/60/554082360.db2.gz RXJMMBMRXHHNBT-UMSFTDKQSA-N 0 0 639.778 4.725 50 0 KJAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)N3CCN(C(C)=O)CC3)c3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000098011575 554082285 /nfs/dbraw/zinc/08/22/85/554082285.db2.gz RXJMMBMRXHHNBT-UUWRZZSWSA-N 0 0 639.778 4.725 50 0 KJAARN COCCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011604 554082705 /nfs/dbraw/zinc/08/27/05/554082705.db2.gz UYZODAZVLRXANR-YTTGMZPUSA-N 0 0 616.740 4.887 50 0 KJAARN COCCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011605 554082765 /nfs/dbraw/zinc/08/27/65/554082765.db2.gz UYZODAZVLRXANR-JGCGQSQUSA-N 0 0 616.740 4.887 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccc(F)cc3)[C@H](c3ccc(F)cc3)SCC2=O)CC1 ZINC000098011612 554082649 /nfs/dbraw/zinc/08/26/49/554082649.db2.gz FBLALAIQRNSGOZ-HKBQPEDESA-N 0 0 601.679 4.677 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccc(F)cc3)[C@@H](c3ccc(F)cc3)SCC2=O)CC1 ZINC000098011613 554082687 /nfs/dbraw/zinc/08/26/87/554082687.db2.gz FBLALAIQRNSGOZ-WJOKGBTCSA-N 0 0 601.679 4.677 50 0 KJAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)N3CCN(C(C)=O)CC3)c3c2c(-c2ccccc2)nn3-c2ccc(F)cc2)c1 ZINC000098011624 554082762 /nfs/dbraw/zinc/08/27/62/554082762.db2.gz GKOXOIMZHIWARO-XIFFEERXSA-N 0 0 643.741 4.556 50 0 KJAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)N3CCN(C(C)=O)CC3)c3c2c(-c2ccccc2)nn3-c2ccc(F)cc2)c1 ZINC000098011625 554082701 /nfs/dbraw/zinc/08/27/01/554082701.db2.gz GKOXOIMZHIWARO-MGBGTMOVSA-N 0 0 643.741 4.556 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccc(F)cc3)[C@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000098011628 554082769 /nfs/dbraw/zinc/08/27/69/554082769.db2.gz YRCGQSJZRFRYGT-HKBQPEDESA-N 0 0 619.669 4.817 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccc(F)cc3)[C@@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000098011629 554082773 /nfs/dbraw/zinc/08/27/73/554082773.db2.gz YRCGQSJZRFRYGT-WJOKGBTCSA-N 0 0 619.669 4.817 50 0 KJAARN COc1ccc([C@@H]2SCC(=O)N(CC(=O)N3CCN(C(C)=O)CC3)c3c2c(-c2ccccc2)nn3-c2cccc(C)c2)cc1OC ZINC000098011644 554082950 /nfs/dbraw/zinc/08/29/50/554082950.db2.gz HOFPQGQRSRYHMH-UMSFTDKQSA-N 0 0 639.778 4.725 50 0 KJAARN COc1ccc([C@H]2SCC(=O)N(CC(=O)N3CCN(C(C)=O)CC3)c3c2c(-c2ccccc2)nn3-c2cccc(C)c2)cc1OC ZINC000098011645 554082960 /nfs/dbraw/zinc/08/29/60/554082960.db2.gz HOFPQGQRSRYHMH-UUWRZZSWSA-N 0 0 639.778 4.725 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000098011664 554082914 /nfs/dbraw/zinc/08/29/14/554082914.db2.gz VBZPZUAXLNFVLY-AREMUKBSSA-N 0 0 554.688 4.639 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2ccc(F)cc2)SCC1=O ZINC000098011665 554083003 /nfs/dbraw/zinc/08/30/03/554083003.db2.gz VBZPZUAXLNFVLY-SANMLTNESA-N 0 0 554.688 4.639 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011666 554082945 /nfs/dbraw/zinc/08/29/45/554082945.db2.gz CASPZDWMQUQZJK-MUUNZHRXSA-N 0 0 596.750 4.518 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000098011667 554082964 /nfs/dbraw/zinc/08/29/64/554082964.db2.gz CASPZDWMQUQZJK-NDEPHWFRSA-N 0 0 596.750 4.518 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2cc(OC)ccc2OC)SCC1=O ZINC000098011674 554083399 /nfs/dbraw/zinc/08/33/99/554083399.db2.gz FNPWSOIFPTUXCN-MUUNZHRXSA-N 0 0 596.750 4.518 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2cc(OC)ccc2OC)SCC1=O ZINC000098011675 554083403 /nfs/dbraw/zinc/08/34/03/554083403.db2.gz FNPWSOIFPTUXCN-NDEPHWFRSA-N 0 0 596.750 4.518 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@H](c2ccc(F)cc2)SCC1=O ZINC000098011676 554083380 /nfs/dbraw/zinc/08/33/80/554083380.db2.gz AUPBMEDKQDDDCN-SANMLTNESA-N 0 0 538.689 4.939 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000098011677 554083227 /nfs/dbraw/zinc/08/32/27/554083227.db2.gz AUPBMEDKQDDDCN-AREMUKBSSA-N 0 0 538.689 4.939 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@H](c2ccccc2F)SCC1=O ZINC000098011678 554083349 /nfs/dbraw/zinc/08/33/49/554083349.db2.gz HZMMVLGAIMOOTO-SANMLTNESA-N 0 0 538.689 4.939 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@@H](c2ccccc2F)SCC1=O ZINC000098011679 554083256 /nfs/dbraw/zinc/08/32/56/554083256.db2.gz HZMMVLGAIMOOTO-AREMUKBSSA-N 0 0 538.689 4.939 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccccc3C)[C@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000098011690 554083389 /nfs/dbraw/zinc/08/33/89/554083389.db2.gz ZJGONUHXQDYIEI-NDEPHWFRSA-N 0 0 595.716 4.616 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccccc3C)[C@@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000098011691 554083246 /nfs/dbraw/zinc/08/32/46/554083246.db2.gz ZJGONUHXQDYIEI-MUUNZHRXSA-N 0 0 595.716 4.616 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2cccc(F)c2)SCC1=O ZINC000098011730 554083463 /nfs/dbraw/zinc/08/34/63/554083463.db2.gz GYQQWDJWKRWDHJ-NDEPHWFRSA-N 0 0 548.615 4.749 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2cccc(F)c2)SCC1=O ZINC000098011731 554083564 /nfs/dbraw/zinc/08/35/64/554083564.db2.gz GYQQWDJWKRWDHJ-MUUNZHRXSA-N 0 0 548.615 4.749 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccccc3Cl)[C@H](c3ccc4c(c3)OCO4)SCC2=O)CC1 ZINC000098011802 554084586 /nfs/dbraw/zinc/08/45/86/554084586.db2.gz YGXPAGTXZDWPPB-YTTGMZPUSA-N 0 0 644.153 4.781 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccccc3Cl)[C@@H](c3ccc4c(c3)OCO4)SCC2=O)CC1 ZINC000098011803 554084555 /nfs/dbraw/zinc/08/45/55/554084555.db2.gz YGXPAGTXZDWPPB-JGCGQSQUSA-N 0 0 644.153 4.781 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)c1 ZINC000098011888 554085536 /nfs/dbraw/zinc/08/55/36/554085536.db2.gz QKPULHKJRQDVIE-MHZLTWQESA-N 0 0 546.693 4.999 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)c1 ZINC000098011889 554085524 /nfs/dbraw/zinc/08/55/24/554085524.db2.gz QKPULHKJRQDVIE-HHHXNRCGSA-N 0 0 546.693 4.999 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC(C)C)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)c1 ZINC000098011894 554085566 /nfs/dbraw/zinc/08/55/66/554085566.db2.gz TYTNAHUMFYESLM-SANMLTNESA-N 0 0 534.682 4.901 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC(C)C)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)c1 ZINC000098011895 554085591 /nfs/dbraw/zinc/08/55/91/554085591.db2.gz TYTNAHUMFYESLM-AREMUKBSSA-N 0 0 534.682 4.901 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)c1 ZINC000098011900 554085530 /nfs/dbraw/zinc/08/55/30/554085530.db2.gz ONQBFGWRSQJBQC-SANMLTNESA-N 0 0 532.666 4.655 50 0 KJAARN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)c1 ZINC000098011901 554085594 /nfs/dbraw/zinc/08/55/94/554085594.db2.gz ONQBFGWRSQJBQC-AREMUKBSSA-N 0 0 532.666 4.655 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098011902 554085570 /nfs/dbraw/zinc/08/55/70/554085570.db2.gz CZAARULTUBYPPW-MHZLTWQESA-N 0 0 564.708 4.529 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098011903 554085573 /nfs/dbraw/zinc/08/55/73/554085573.db2.gz CZAARULTUBYPPW-HHHXNRCGSA-N 0 0 564.708 4.529 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098011904 554085575 /nfs/dbraw/zinc/08/55/75/554085575.db2.gz YICULQCPCCPJKX-SANMLTNESA-N 0 0 534.682 4.902 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098011905 554085587 /nfs/dbraw/zinc/08/55/87/554085587.db2.gz YICULQCPCCPJKX-AREMUKBSSA-N 0 0 534.682 4.902 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NC(C)C)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098011922 554085824 /nfs/dbraw/zinc/08/58/24/554085824.db2.gz XBBDONVIVVNEFB-PMERELPUSA-N 0 0 570.671 4.970 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NC(C)C)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098011923 554085924 /nfs/dbraw/zinc/08/59/24/554085924.db2.gz XBBDONVIVVNEFB-SSEXGKCCSA-N 0 0 570.671 4.970 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098011928 554085930 /nfs/dbraw/zinc/08/59/30/554085930.db2.gz NXXBQWHXWUDFOC-PMERELPUSA-N 0 0 568.655 4.724 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098011929 554085828 /nfs/dbraw/zinc/08/58/28/554085828.db2.gz NXXBQWHXWUDFOC-SSEXGKCCSA-N 0 0 568.655 4.724 50 0 KJAARN CCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098011930 554085962 /nfs/dbraw/zinc/08/59/62/554085962.db2.gz KDAMZKURFFHJLL-PMERELPUSA-N 0 0 570.671 4.972 50 0 KJAARN CCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098011931 554085967 /nfs/dbraw/zinc/08/59/67/554085967.db2.gz KDAMZKURFFHJLL-SSEXGKCCSA-N 0 0 570.671 4.972 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098011934 554085850 /nfs/dbraw/zinc/08/58/50/554085850.db2.gz JCJOEANXLNDQNT-UKJJDJLKSA-N 0 0 612.708 4.741 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098011935 554085912 /nfs/dbraw/zinc/08/59/12/554085912.db2.gz JCJOEANXLNDQNT-ZOYWYXQUSA-N 0 0 612.708 4.741 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098011936 554085977 /nfs/dbraw/zinc/08/59/77/554085977.db2.gz JCJOEANXLNDQNT-GOXGLGGOSA-N 0 0 612.708 4.741 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098011937 554085868 /nfs/dbraw/zinc/08/58/68/554085868.db2.gz JCJOEANXLNDQNT-NLGDKJDOSA-N 0 0 612.708 4.741 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccc(F)c2)cc1 ZINC000098011938 554085791 /nfs/dbraw/zinc/08/57/91/554085791.db2.gz AXVWQRXZMABATH-PMERELPUSA-N 0 0 572.662 4.715 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccc(F)c2)cc1 ZINC000098011939 554085950 /nfs/dbraw/zinc/08/59/50/554085950.db2.gz AXVWQRXZMABATH-SSEXGKCCSA-N 0 0 572.662 4.715 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H](c2cccc(F)c2)SCC1=O ZINC000098011940 554085919 /nfs/dbraw/zinc/08/59/19/554085919.db2.gz CRWAHSSAIRYZDF-LJAQVGFWSA-N 0 0 560.651 4.619 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@@H](c2cccc(F)c2)SCC1=O ZINC000098011941 554085801 /nfs/dbraw/zinc/08/58/01/554085801.db2.gz CRWAHSSAIRYZDF-GDLZYMKVSA-N 0 0 560.651 4.619 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCN(C(C)=O)CC2)C(=O)CS[C@H]3c2cccc(F)c2)cc1 ZINC000098011952 554086205 /nfs/dbraw/zinc/08/62/05/554086205.db2.gz GUWKNZCCXZFXBK-YTTGMZPUSA-N 0 0 613.715 4.547 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCN(C(C)=O)CC2)C(=O)CS[C@@H]3c2cccc(F)c2)cc1 ZINC000098011953 554086135 /nfs/dbraw/zinc/08/61/35/554086135.db2.gz GUWKNZCCXZFXBK-JGCGQSQUSA-N 0 0 613.715 4.547 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000098011966 554086216 /nfs/dbraw/zinc/08/62/16/554086216.db2.gz YCEWMMDHJLFSCX-WJOKGBTCSA-N 0 0 568.699 4.884 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000098011967 554086143 /nfs/dbraw/zinc/08/61/43/554086143.db2.gz YCEWMMDHJLFSCX-HKBQPEDESA-N 0 0 568.699 4.884 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@@H](c2ccccc2C)SCC1=O ZINC000098011968 554086263 /nfs/dbraw/zinc/08/62/63/554086263.db2.gz ORNMTBDSODFDPX-SSEXGKCCSA-N 0 0 556.688 4.788 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H](c2ccccc2C)SCC1=O ZINC000098011969 554086112 /nfs/dbraw/zinc/08/61/12/554086112.db2.gz ORNMTBDSODFDPX-PMERELPUSA-N 0 0 556.688 4.788 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCN(C(C)=O)CC2)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000098011982 554086506 /nfs/dbraw/zinc/08/65/06/554086506.db2.gz GILGAVFEOHUIGW-MGBGTMOVSA-N 0 0 609.752 4.716 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCN(C(C)=O)CC2)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000098011983 554086459 /nfs/dbraw/zinc/08/64/59/554086459.db2.gz GILGAVFEOHUIGW-XIFFEERXSA-N 0 0 609.752 4.716 50 0 KJAARN Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)c1C ZINC000098011994 554086442 /nfs/dbraw/zinc/08/64/42/554086442.db2.gz ZWFMMODSRDXKMS-YTTGMZPUSA-N 0 0 596.709 4.913 50 0 KJAARN Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)c1C ZINC000098011995 554086542 /nfs/dbraw/zinc/08/65/42/554086542.db2.gz ZWFMMODSRDXKMS-JGCGQSQUSA-N 0 0 596.709 4.913 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3cccc(C)c3C)[C@H](c3ccc4c(c3)OCO4)SCC2=O)CC1 ZINC000098012008 554086768 /nfs/dbraw/zinc/08/67/68/554086768.db2.gz BOENMRMSDRLZIO-UMSFTDKQSA-N 0 0 637.762 4.745 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3cccc(C)c3C)[C@@H](c3ccc4c(c3)OCO4)SCC2=O)CC1 ZINC000098012009 554086761 /nfs/dbraw/zinc/08/67/61/554086761.db2.gz BOENMRMSDRLZIO-UUWRZZSWSA-N 0 0 637.762 4.745 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012012 554086805 /nfs/dbraw/zinc/08/68/05/554086805.db2.gz VIKLXBXFWAMBPZ-DWACAAAGSA-N 0 0 576.719 4.671 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012013 554086808 /nfs/dbraw/zinc/08/68/08/554086808.db2.gz VIKLXBXFWAMBPZ-RBISFHTESA-N 0 0 576.719 4.671 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012014 554086750 /nfs/dbraw/zinc/08/67/50/554086750.db2.gz VIKLXBXFWAMBPZ-DFHRPNOPSA-N 0 0 576.719 4.671 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012015 554086792 /nfs/dbraw/zinc/08/67/92/554086792.db2.gz VIKLXBXFWAMBPZ-SKCUWOTOSA-N 0 0 576.719 4.671 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccc(C)cc3)[C@H](c3cccc(C)c3)SCC2=O)CC1 ZINC000098012020 554086734 /nfs/dbraw/zinc/08/67/34/554086734.db2.gz XMVBRDGDGOCIOK-LJAQVGFWSA-N 0 0 573.763 4.647 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccc(C)cc3)[C@@H](c3cccc(C)c3)SCC2=O)CC1 ZINC000098012021 554086696 /nfs/dbraw/zinc/08/66/96/554086696.db2.gz XMVBRDGDGOCIOK-GDLZYMKVSA-N 0 0 573.763 4.647 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000098012028 554086783 /nfs/dbraw/zinc/08/67/83/554086783.db2.gz VTWISBKEQSBCCQ-WJOKGBTCSA-N 0 0 568.699 4.884 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000098012029 554086757 /nfs/dbraw/zinc/08/67/57/554086757.db2.gz VTWISBKEQSBCCQ-HKBQPEDESA-N 0 0 568.699 4.884 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@@H](c2cccc(C)c2)SCC1=O ZINC000098012030 554086790 /nfs/dbraw/zinc/08/67/90/554086790.db2.gz USRHQZCUONFPOR-SSEXGKCCSA-N 0 0 556.688 4.788 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H](c2cccc(C)c2)SCC1=O ZINC000098012031 554086708 /nfs/dbraw/zinc/08/67/08/554086708.db2.gz USRHQZCUONFPOR-PMERELPUSA-N 0 0 556.688 4.788 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCN(C(C)=O)CC2)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000098012042 554087134 /nfs/dbraw/zinc/08/71/34/554087134.db2.gz GAIUHVSFJQHFEP-MGBGTMOVSA-N 0 0 609.752 4.716 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCN(C(C)=O)CC2)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000098012043 554087025 /nfs/dbraw/zinc/08/70/25/554087025.db2.gz GAIUHVSFJQHFEP-XIFFEERXSA-N 0 0 609.752 4.716 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC(C)C)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012074 554087318 /nfs/dbraw/zinc/08/73/18/554087318.db2.gz BIUVUKLZITWSAC-MHZLTWQESA-N 0 0 564.708 4.849 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC(C)C)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012075 554087354 /nfs/dbraw/zinc/08/73/54/554087354.db2.gz BIUVUKLZITWSAC-HHHXNRCGSA-N 0 0 564.708 4.849 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012076 554087314 /nfs/dbraw/zinc/08/73/14/554087314.db2.gz WPCMMJJRLJHYEF-HHHXNRCGSA-N 0 0 562.692 4.699 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012077 554087290 /nfs/dbraw/zinc/08/72/90/554087290.db2.gz WPCMMJJRLJHYEF-MHZLTWQESA-N 0 0 562.692 4.699 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCc2ccncc2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012078 554087306 /nfs/dbraw/zinc/08/73/06/554087306.db2.gz FOPURKCLDZUDKU-GDLZYMKVSA-N 0 0 599.713 4.788 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCc2ccncc2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012079 554087274 /nfs/dbraw/zinc/08/72/74/554087274.db2.gz FOPURKCLDZUDKU-LJAQVGFWSA-N 0 0 599.713 4.788 50 0 KJAARN CC[C@@H](C)NC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012080 554087328 /nfs/dbraw/zinc/08/73/28/554087328.db2.gz UOBFFELTWUEJHA-CLYVBNDRSA-N 0 0 564.708 4.991 50 0 KJAARN CC[C@H](C)NC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012081 554087295 /nfs/dbraw/zinc/08/72/95/554087295.db2.gz UOBFFELTWUEJHA-MYUZEXMDSA-N 0 0 564.708 4.991 50 0 KJAARN CC[C@@H](C)NC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012082 554087391 /nfs/dbraw/zinc/08/73/91/554087391.db2.gz UOBFFELTWUEJHA-DNOBIOAJSA-N 0 0 564.708 4.991 50 0 KJAARN CC[C@H](C)NC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012083 554087268 /nfs/dbraw/zinc/08/72/68/554087268.db2.gz UOBFFELTWUEJHA-XRHLQHRESA-N 0 0 564.708 4.991 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012088 554087331 /nfs/dbraw/zinc/08/73/31/554087331.db2.gz PPGOTFLJNORVHV-SANMLTNESA-N 0 0 550.681 4.603 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012089 554087324 /nfs/dbraw/zinc/08/73/24/554087324.db2.gz PPGOTFLJNORVHV-AREMUKBSSA-N 0 0 550.681 4.603 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCc2ccccn2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012092 554087358 /nfs/dbraw/zinc/08/73/58/554087358.db2.gz WZKWWYDADXPYAA-GDLZYMKVSA-N 0 0 599.713 4.788 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCc2ccccn2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000098012093 554087367 /nfs/dbraw/zinc/08/73/67/554087367.db2.gz WZKWWYDADXPYAA-LJAQVGFWSA-N 0 0 599.713 4.788 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000098012100 554087690 /nfs/dbraw/zinc/08/76/90/554087690.db2.gz ZTIPVWFJQFZEOD-RBJSKKJNSA-N 0 0 562.736 4.951 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000098012101 554087672 /nfs/dbraw/zinc/08/76/72/554087672.db2.gz ZTIPVWFJQFZEOD-CUBQBAPOSA-N 0 0 562.736 4.951 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000098012102 554087657 /nfs/dbraw/zinc/08/76/57/554087657.db2.gz ZTIPVWFJQFZEOD-UFHPHHKVSA-N 0 0 562.736 4.951 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000098012103 554087662 /nfs/dbraw/zinc/08/76/62/554087662.db2.gz ZTIPVWFJQFZEOD-YWEHKCAJSA-N 0 0 562.736 4.951 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@@H]3c2cccc(F)c2)cc1 ZINC000098012120 554087678 /nfs/dbraw/zinc/08/76/78/554087678.db2.gz WBSXVWUKGLZVBK-WNCULLNHSA-N 0 0 566.699 4.782 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@H]3c2cccc(F)c2)cc1 ZINC000098012121 554087745 /nfs/dbraw/zinc/08/77/45/554087745.db2.gz WBSXVWUKGLZVBK-HOFKKMOUSA-N 0 0 566.699 4.782 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@@H]3c2cccc(F)c2)cc1 ZINC000098012122 554087736 /nfs/dbraw/zinc/08/77/36/554087736.db2.gz WBSXVWUKGLZVBK-YIXXDRMTSA-N 0 0 566.699 4.782 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@H]3c2cccc(F)c2)cc1 ZINC000098012123 554087706 /nfs/dbraw/zinc/08/77/06/554087706.db2.gz WBSXVWUKGLZVBK-KCWPFWIISA-N 0 0 566.699 4.782 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000098012126 554087896 /nfs/dbraw/zinc/08/78/96/554087896.db2.gz CJRBEJPHNPDRIE-HHHXNRCGSA-N 0 0 548.709 4.515 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000098012127 554087950 /nfs/dbraw/zinc/08/79/50/554087950.db2.gz CJRBEJPHNPDRIE-MHZLTWQESA-N 0 0 548.709 4.515 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2ccccc2C)SCC1=O ZINC000098012130 554087973 /nfs/dbraw/zinc/08/79/73/554087973.db2.gz OXONUQHYYLRPMJ-HHHXNRCGSA-N 0 0 550.725 4.809 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2ccccc2C)SCC1=O ZINC000098012131 554087866 /nfs/dbraw/zinc/08/78/66/554087866.db2.gz OXONUQHYYLRPMJ-MHZLTWQESA-N 0 0 550.725 4.809 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000098012136 554087969 /nfs/dbraw/zinc/08/79/69/554087969.db2.gz BQXXRKAGFYRCQU-NEKDWFFYSA-N 0 0 562.736 4.951 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000098012137 554087937 /nfs/dbraw/zinc/08/79/37/554087937.db2.gz BQXXRKAGFYRCQU-FIPFOOKPSA-N 0 0 562.736 4.951 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000098012138 554087924 /nfs/dbraw/zinc/08/79/24/554087924.db2.gz BQXXRKAGFYRCQU-QDPGVEIFSA-N 0 0 562.736 4.951 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000098012139 554087919 /nfs/dbraw/zinc/08/79/19/554087919.db2.gz BQXXRKAGFYRCQU-LXFBAYGMSA-N 0 0 562.736 4.951 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)N1CCCC1)C(=O)CS[C@H]2c1ccc2c(c1)OCO2 ZINC000098012140 554087966 /nfs/dbraw/zinc/08/79/66/554087966.db2.gz NTHZUVNCPUAGHW-MHZLTWQESA-N 0 0 546.693 4.999 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)N1CCCC1)C(=O)CS[C@@H]2c1ccc2c(c1)OCO2 ZINC000098012141 554087940 /nfs/dbraw/zinc/08/79/40/554087940.db2.gz NTHZUVNCPUAGHW-HHHXNRCGSA-N 0 0 546.693 4.999 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NC1CC1)C(=O)CS[C@H]2c1ccc2c(c1)OCO2 ZINC000098012152 554087977 /nfs/dbraw/zinc/08/79/77/554087977.db2.gz SIUHXWKYLUXYQS-SANMLTNESA-N 0 0 532.666 4.655 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NC1CC1)C(=O)CS[C@@H]2c1ccc2c(c1)OCO2 ZINC000098012153 554087934 /nfs/dbraw/zinc/08/79/34/554087934.db2.gz SIUHXWKYLUXYQS-AREMUKBSSA-N 0 0 532.666 4.655 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012154 554087877 /nfs/dbraw/zinc/08/78/77/554087877.db2.gz YUSYJOICIPGRCG-MHZLTWQESA-N 0 0 564.708 4.529 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012155 554088288 /nfs/dbraw/zinc/08/82/88/554088288.db2.gz YUSYJOICIPGRCG-HHHXNRCGSA-N 0 0 564.708 4.529 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012156 554088294 /nfs/dbraw/zinc/08/82/94/554088294.db2.gz PHIJBGSMDOIWLL-SANMLTNESA-N 0 0 534.682 4.902 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012157 554088297 /nfs/dbraw/zinc/08/82/97/554088297.db2.gz PHIJBGSMDOIWLL-AREMUKBSSA-N 0 0 534.682 4.902 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CS[C@H]2c1ccc2c(c1)OCO2 ZINC000098012166 554088281 /nfs/dbraw/zinc/08/82/81/554088281.db2.gz NEBOBOGUYJGRDV-KMRXNPHXSA-N 0 0 576.719 4.671 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CS[C@@H]2c1ccc2c(c1)OCO2 ZINC000098012167 554088239 /nfs/dbraw/zinc/08/82/39/554088239.db2.gz NEBOBOGUYJGRDV-RBTNQOKQSA-N 0 0 576.719 4.671 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NC[C@H]1CCCO1)C(=O)CS[C@H]2c1ccc2c(c1)OCO2 ZINC000098012168 554088289 /nfs/dbraw/zinc/08/82/89/554088289.db2.gz NEBOBOGUYJGRDV-PIKZIKFNSA-N 0 0 576.719 4.671 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NC[C@H]1CCCO1)C(=O)CS[C@@H]2c1ccc2c(c1)OCO2 ZINC000098012169 554088262 /nfs/dbraw/zinc/08/82/62/554088262.db2.gz NEBOBOGUYJGRDV-LYZGTLIUSA-N 0 0 576.719 4.671 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)N1CCOCC1)C(=O)CS[C@H]2c1cccc(F)c1 ZINC000098012172 554088283 /nfs/dbraw/zinc/08/82/83/554088283.db2.gz HJJQIJWERFMUEI-SANMLTNESA-N 0 0 536.673 4.645 50 0 KJAARN Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)N1CCOCC1)C(=O)CS[C@@H]2c1cccc(F)c1 ZINC000098012173 554088275 /nfs/dbraw/zinc/08/82/75/554088275.db2.gz HJJQIJWERFMUEI-AREMUKBSSA-N 0 0 536.673 4.645 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@H](c2cccc(F)c2)SCC1=O ZINC000098012176 554088224 /nfs/dbraw/zinc/08/82/24/554088224.db2.gz YAPZGHJIVOEZHZ-SANMLTNESA-N 0 0 538.689 4.939 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2C)[C@@H](c2cccc(F)c2)SCC1=O ZINC000098012177 554088246 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ZINC000098012261 554089176 /nfs/dbraw/zinc/08/91/76/554089176.db2.gz UTZGVOLNONRWFH-SSEXGKCCSA-N 0 0 570.671 4.508 50 0 KJAARN COCCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2C)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012266 554089183 /nfs/dbraw/zinc/08/91/83/554089183.db2.gz RCVNPGCIFNSPDF-HKBQPEDESA-N 0 0 584.698 4.898 50 0 KJAARN COCCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2C)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000098012267 554089156 /nfs/dbraw/zinc/08/91/56/554089156.db2.gz RCVNPGCIFNSPDF-WJOKGBTCSA-N 0 0 584.698 4.898 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@@H]3c2ccccc2OC)cc1 ZINC000098012276 554089143 /nfs/dbraw/zinc/08/91/43/554089143.db2.gz DYPFOYIPZSNBIM-RBISFHTESA-N 0 0 578.735 4.651 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@@H]2CCCO2)C(=O)CS[C@H]3c2ccccc2OC)cc1 ZINC000098012277 554089168 /nfs/dbraw/zinc/08/91/68/554089168.db2.gz DYPFOYIPZSNBIM-DWACAAAGSA-N 0 0 578.735 4.651 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@@H]3c2ccccc2OC)cc1 ZINC000098012278 554089146 /nfs/dbraw/zinc/08/91/46/554089146.db2.gz DYPFOYIPZSNBIM-SKCUWOTOSA-N 0 0 578.735 4.651 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC[C@H]2CCCO2)C(=O)CS[C@H]3c2ccccc2OC)cc1 ZINC000098012279 554089472 /nfs/dbraw/zinc/08/94/72/554089472.db2.gz DYPFOYIPZSNBIM-DFHRPNOPSA-N 0 0 578.735 4.651 50 0 KJAARN CC(C)(C)c1nn(C(C)(C)C)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2CC(=O)NCc1ccco1 ZINC000098012284 554089498 /nfs/dbraw/zinc/08/94/98/554089498.db2.gz FJPOPXOFFDJMFT-XMMPIXPASA-N 0 0 538.670 4.743 50 0 KJAARN CC(C)(C)c1nn(C(C)(C)C)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(=O)N2CC(=O)NCc1ccco1 ZINC000098012285 554089510 /nfs/dbraw/zinc/08/95/10/554089510.db2.gz FJPOPXOFFDJMFT-DEOSSOPVSA-N 0 0 538.670 4.743 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(-c1ccccc1)nn2-c1ccccc1C ZINC000098012312 554089809 /nfs/dbraw/zinc/08/98/09/554089809.db2.gz ZHVRCBNKKJUOPY-HKBQPEDESA-N 0 0 568.699 4.884 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(-c1ccccc1)nn2-c1ccccc1C ZINC000098012313 554089781 /nfs/dbraw/zinc/08/97/81/554089781.db2.gz ZHVRCBNKKJUOPY-WJOKGBTCSA-N 0 0 568.699 4.884 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2C)[C@H](c2ccccc2OC)SCC1=O ZINC000098012314 554089764 /nfs/dbraw/zinc/08/97/64/554089764.db2.gz AKWJWVKIEFPXFT-PMERELPUSA-N 0 0 556.688 4.788 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2C)[C@@H](c2ccccc2OC)SCC1=O ZINC000098012315 554089829 /nfs/dbraw/zinc/08/98/29/554089829.db2.gz AKWJWVKIEFPXFT-SSEXGKCCSA-N 0 0 556.688 4.788 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)N2CCN(C(C)=O)CC2)c2c1c(-c1ccccc1)nn2-c1ccccc1C ZINC000098012326 554089805 /nfs/dbraw/zinc/08/98/05/554089805.db2.gz CZZMGWJYOZFYKV-XIFFEERXSA-N 0 0 609.752 4.716 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)N2CCN(C(C)=O)CC2)c2c1c(-c1ccccc1)nn2-c1ccccc1C ZINC000098012327 554089801 /nfs/dbraw/zinc/08/98/01/554089801.db2.gz CZZMGWJYOZFYKV-MGBGTMOVSA-N 0 0 609.752 4.716 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(C(C)(C)C)nn2-c1ccccc1Cl ZINC000098012346 554090039 /nfs/dbraw/zinc/09/00/39/554090039.db2.gz YPZZXLBWCMQKHM-AREMUKBSSA-N 0 0 569.127 4.860 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(C(C)(C)C)nn2-c1ccccc1Cl ZINC000098012347 554090068 /nfs/dbraw/zinc/09/00/68/554090068.db2.gz YPZZXLBWCMQKHM-SANMLTNESA-N 0 0 569.127 4.860 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@@H](c2ccccc2OC)SCC1=O ZINC000098012348 554090048 /nfs/dbraw/zinc/09/00/48/554090048.db2.gz UJKUZOBPLYMCDG-RUZDIDTESA-N 0 0 557.116 4.764 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@H](c2ccccc2OC)SCC1=O ZINC000098012349 554090055 /nfs/dbraw/zinc/09/00/55/554090055.db2.gz UJKUZOBPLYMCDG-VWLOTQADSA-N 0 0 557.116 4.764 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2cccc(C)c2)SCC1=O ZINC000098012368 554090058 /nfs/dbraw/zinc/09/00/58/554090058.db2.gz PBQVCJBNFLPMMK-GDLZYMKVSA-N 0 0 544.652 4.919 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2cccc(C)c2)SCC1=O ZINC000098012369 554090291 /nfs/dbraw/zinc/09/02/91/554090291.db2.gz PBQVCJBNFLPMMK-LJAQVGFWSA-N 0 0 544.652 4.919 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(C(C)(C)C)nn2-c1cccc(C)c1C ZINC000098012378 554090314 /nfs/dbraw/zinc/09/03/14/554090314.db2.gz HOPAOPCYZCKXBV-NDEPHWFRSA-N 0 0 562.736 4.823 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(C(C)(C)C)nn2-c1cccc(C)c1C ZINC000098012379 554090299 /nfs/dbraw/zinc/09/02/99/554090299.db2.gz HOPAOPCYZCKXBV-MUUNZHRXSA-N 0 0 562.736 4.823 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2C)[C@H](c2ccccc2OC)SCC1=O ZINC000098012380 554090318 /nfs/dbraw/zinc/09/03/18/554090318.db2.gz IDRFHGPDMPBQBH-MHZLTWQESA-N 0 0 550.725 4.727 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2C)[C@@H](c2ccccc2OC)SCC1=O ZINC000098012381 554090284 /nfs/dbraw/zinc/09/02/84/554090284.db2.gz IDRFHGPDMPBQBH-HHHXNRCGSA-N 0 0 550.725 4.727 50 0 KJAARN CC(C)(C)c1nn(-c2cccc(F)c2)c2c1[C@@H](c1cccs1)SCC(=O)N2CC(=O)NC[C@@H]1CCCO1 ZINC000098012390 554090282 /nfs/dbraw/zinc/09/02/82/554090282.db2.gz KDEZZCYIMURRKM-YADARESESA-N 0 0 542.702 4.835 50 0 KJAARN CC(C)(C)c1nn(-c2cccc(F)c2)c2c1[C@H](c1cccs1)SCC(=O)N2CC(=O)NC[C@@H]1CCCO1 ZINC000098012391 554090311 /nfs/dbraw/zinc/09/03/11/554090311.db2.gz KDEZZCYIMURRKM-CYFREDJKSA-N 0 0 542.702 4.835 50 0 KJAARN CC(C)(C)c1nn(-c2cccc(F)c2)c2c1[C@@H](c1cccs1)SCC(=O)N2CC(=O)NC[C@H]1CCCO1 ZINC000098012392 554090328 /nfs/dbraw/zinc/09/03/28/554090328.db2.gz KDEZZCYIMURRKM-NTKDMRAZSA-N 0 0 542.702 4.835 50 0 KJAARN CC(C)(C)c1nn(-c2cccc(F)c2)c2c1[C@H](c1cccs1)SCC(=O)N2CC(=O)NC[C@H]1CCCO1 ZINC000098012393 554090264 /nfs/dbraw/zinc/09/02/64/554090264.db2.gz KDEZZCYIMURRKM-DVECYGJZSA-N 0 0 542.702 4.835 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@@H](c2ccccc2Cl)SCC1=O ZINC000098012412 554090662 /nfs/dbraw/zinc/09/06/62/554090662.db2.gz QARXSRUHBYFFPZ-XMMPIXPASA-N 0 0 545.080 4.894 50 0 KJAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@H](c2ccccc2Cl)SCC1=O ZINC000098012413 554090607 /nfs/dbraw/zinc/09/06/07/554090607.db2.gz QARXSRUHBYFFPZ-DEOSSOPVSA-N 0 0 545.080 4.894 50 0 KJAARN Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)c1 ZINC000098012466 554091237 /nfs/dbraw/zinc/09/12/37/554091237.db2.gz VTVZPXMMUIJCNP-HKBQPEDESA-N 0 0 582.682 4.604 50 0 KJAARN Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)c1 ZINC000098012467 554091261 /nfs/dbraw/zinc/09/12/61/554091261.db2.gz VTVZPXMMUIJCNP-WJOKGBTCSA-N 0 0 582.682 4.604 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N[C@@H](C)c2ccccc2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000098014665 554091828 /nfs/dbraw/zinc/09/18/28/554091828.db2.gz USUSQHXSRDXNOA-DWACAAAGSA-N 0 0 543.639 4.739 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N[C@@H](C)c2ccccc2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000098014666 554091810 /nfs/dbraw/zinc/09/18/10/554091810.db2.gz USUSQHXSRDXNOA-RBISFHTESA-N 0 0 543.639 4.739 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N[C@H](C)c2ccccc2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000098014667 554091803 /nfs/dbraw/zinc/09/18/03/554091803.db2.gz USUSQHXSRDXNOA-DFHRPNOPSA-N 0 0 543.639 4.739 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N[C@H](C)c2ccccc2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000098014668 554091767 /nfs/dbraw/zinc/09/17/67/554091767.db2.gz USUSQHXSRDXNOA-SKCUWOTOSA-N 0 0 543.639 4.739 50 0 KJAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014685 554092107 /nfs/dbraw/zinc/09/21/07/554092107.db2.gz IYWPNHUTRUGSSN-MHZLTWQESA-N 0 0 611.617 4.513 50 0 KJAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014686 554092137 /nfs/dbraw/zinc/09/21/37/554092137.db2.gz IYWPNHUTRUGSSN-HHHXNRCGSA-N 0 0 611.617 4.513 50 0 KJAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000098014717 554092538 /nfs/dbraw/zinc/09/25/38/554092538.db2.gz ZNWKFVMGJIQGPG-MHZLTWQESA-N 0 0 595.618 4.812 50 0 KJAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000098014718 554092519 /nfs/dbraw/zinc/09/25/19/554092519.db2.gz ZNWKFVMGJIQGPG-HHHXNRCGSA-N 0 0 595.618 4.812 50 0 KJAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2cccc(OC)c2)CC3)cc1 ZINC000098014719 554092524 /nfs/dbraw/zinc/09/25/24/554092524.db2.gz WKJJRXPQLZPWQW-MHZLTWQESA-N 0 0 611.617 4.513 50 0 KJAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2cccc(OC)c2)CC3)cc1 ZINC000098014720 554092476 /nfs/dbraw/zinc/09/24/76/554092476.db2.gz WKJJRXPQLZPWQW-HHHXNRCGSA-N 0 0 611.617 4.513 50 0 KJAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)CC(C)C)CC3)c1 ZINC000098014797 554093017 /nfs/dbraw/zinc/09/30/17/554093017.db2.gz BHLWFRPHXHSOCK-DEOSSOPVSA-N 0 0 545.602 4.536 50 0 KJAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)CC(C)C)CC3)c1 ZINC000098014798 554093063 /nfs/dbraw/zinc/09/30/63/554093063.db2.gz BHLWFRPHXHSOCK-XMMPIXPASA-N 0 0 545.602 4.536 50 0 KJAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000098014799 554093026 /nfs/dbraw/zinc/09/30/26/554093026.db2.gz SBGTWILHXHROEJ-SANMLTNESA-N 0 0 583.582 4.943 50 0 KJAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000098014800 554093020 /nfs/dbraw/zinc/09/30/20/554093020.db2.gz SBGTWILHXHROEJ-AREMUKBSSA-N 0 0 583.582 4.943 50 0 KJAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1cccc(C)c1 ZINC000098014805 554093058 /nfs/dbraw/zinc/09/30/58/554093058.db2.gz RNGNCXUQRITIQX-JPYJTQIMSA-N 0 0 532.468 4.690 50 0 KJAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1cccc(C)c1 ZINC000098014806 554093081 /nfs/dbraw/zinc/09/30/81/554093081.db2.gz RNGNCXUQRITIQX-MBSDFSHPSA-N 0 0 532.468 4.690 50 0 KJAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1cccc(C)c1 ZINC000098014807 554093084 /nfs/dbraw/zinc/09/30/84/554093084.db2.gz RNGNCXUQRITIQX-WZONZLPQSA-N 0 0 532.468 4.690 50 0 KJAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1cccc(C)c1 ZINC000098014808 554093008 /nfs/dbraw/zinc/09/30/08/554093008.db2.gz RNGNCXUQRITIQX-FDDCHVKYSA-N 0 0 532.468 4.690 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N[C@@H](C)c2ccccc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000098014823 554093042 /nfs/dbraw/zinc/09/30/42/554093042.db2.gz GRIVFMFFFDFYQP-OUTSHDOLSA-N 0 0 539.676 4.908 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N[C@@H](C)c2ccccc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000098014824 554093024 /nfs/dbraw/zinc/09/30/24/554093024.db2.gz GRIVFMFFFDFYQP-PWUYWRBVSA-N 0 0 539.676 4.908 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N[C@H](C)c2ccccc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000098014825 554093069 /nfs/dbraw/zinc/09/30/69/554093069.db2.gz GRIVFMFFFDFYQP-GIGWZHCTSA-N 0 0 539.676 4.908 50 0 KJAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N[C@H](C)c2ccccc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000098014826 554093014 /nfs/dbraw/zinc/09/30/14/554093014.db2.gz GRIVFMFFFDFYQP-FUFSCUOVSA-N 0 0 539.676 4.908 50 0 KJAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000098014827 554093077 /nfs/dbraw/zinc/09/30/77/554093077.db2.gz LTEDPKIFBPPTTC-SANMLTNESA-N 0 0 583.582 4.943 50 0 KJAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000098014828 554093249 /nfs/dbraw/zinc/09/32/49/554093249.db2.gz LTEDPKIFBPPTTC-AREMUKBSSA-N 0 0 583.582 4.943 50 0 KJAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)COC12CCN(C(=O)c1cccs1)CC2 ZINC000098014829 554093260 /nfs/dbraw/zinc/09/32/60/554093260.db2.gz GPZCMKTTWVUQJO-QHCPKHFHSA-N 0 0 571.621 4.865 50 0 KJAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)COC12CCN(C(=O)c1cccs1)CC2 ZINC000098014830 554093223 /nfs/dbraw/zinc/09/32/23/554093223.db2.gz GPZCMKTTWVUQJO-HSZRJFAPSA-N 0 0 571.621 4.865 50 0 KJAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1 ZINC000098014855 554093228 /nfs/dbraw/zinc/09/32/28/554093228.db2.gz VSFFYHJXNWWWSX-DEOSSOPVSA-N 0 0 559.629 4.926 50 0 KJAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1 ZINC000098014856 554093271 /nfs/dbraw/zinc/09/32/71/554093271.db2.gz VSFFYHJXNWWWSX-XMMPIXPASA-N 0 0 559.629 4.926 50 0 KJAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1C ZINC000098014867 554093648 /nfs/dbraw/zinc/09/36/48/554093648.db2.gz ZPMXRDQDNZKLKR-JPYJTQIMSA-N 0 0 532.468 4.690 50 0 KJAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1C ZINC000098014868 554093621 /nfs/dbraw/zinc/09/36/21/554093621.db2.gz ZPMXRDQDNZKLKR-MBSDFSHPSA-N 0 0 532.468 4.690 50 0 KJAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1C ZINC000098014869 554093659 /nfs/dbraw/zinc/09/36/59/554093659.db2.gz ZPMXRDQDNZKLKR-WZONZLPQSA-N 0 0 532.468 4.690 50 0 KJAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1C ZINC000098014870 554093653 /nfs/dbraw/zinc/09/36/53/554093653.db2.gz ZPMXRDQDNZKLKR-FDDCHVKYSA-N 0 0 532.468 4.690 50 0 KJAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000098014879 554093640 /nfs/dbraw/zinc/09/36/40/554093640.db2.gz OUWMOBWEBGLZKI-SANMLTNESA-N 0 0 583.582 4.943 50 0 KJAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000098014880 554093633 /nfs/dbraw/zinc/09/36/33/554093633.db2.gz OUWMOBWEBGLZKI-AREMUKBSSA-N 0 0 583.582 4.943 50 0 KJAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000098014893 554093901 /nfs/dbraw/zinc/09/39/01/554093901.db2.gz VHYWORWGIDQNOX-MHZLTWQESA-N 0 0 595.618 4.812 50 0 KJAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000098014894 554093799 /nfs/dbraw/zinc/09/37/99/554093799.db2.gz VHYWORWGIDQNOX-HHHXNRCGSA-N 0 0 595.618 4.812 50 0 KJAARN COc1ccc(CCN(C)c2cc(C)nc(SCc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)n2)cc1OC ZINC000098014993 554094896 /nfs/dbraw/zinc/09/48/96/554094896.db2.gz WIPXTQUZGWMQMF-DEOSSOPVSA-N 0 0 536.698 4.682 50 0 KJAARN COc1ccc(CCN(C)c2cc(C)nc(SCc3ccc(C(=O)NC[C@H]4CCCO4)cc3)n2)cc1OC ZINC000098014994 554094788 /nfs/dbraw/zinc/09/47/88/554094788.db2.gz WIPXTQUZGWMQMF-XMMPIXPASA-N 0 0 536.698 4.682 50 0 KJAARN CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1 ZINC000098015013 554094943 /nfs/dbraw/zinc/09/49/43/554094943.db2.gz IHTGVMWDJDPOOX-VWLOTQADSA-N 0 0 550.725 4.936 50 0 KJAARN CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 ZINC000098015014 554094928 /nfs/dbraw/zinc/09/49/28/554094928.db2.gz IHTGVMWDJDPOOX-RUZDIDTESA-N 0 0 550.725 4.936 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2cccc(CSc3nc(C)cc(N4CCN(c5ccccc5F)CC4)n3)c2)CC1 ZINC000098015109 554095809 /nfs/dbraw/zinc/09/58/09/554095809.db2.gz OMKRWJIRAUIVSK-UHFFFAOYSA-N 0 0 577.726 4.958 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(C)cc(N4CCN(c5ccccc5F)CC4)n3)c2)C1 ZINC000098015110 554095767 /nfs/dbraw/zinc/09/57/67/554095767.db2.gz DOGACWYHMKEOIB-RUZDIDTESA-N 0 0 577.726 4.958 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(C)cc(N4CCN(c5ccccc5F)CC4)n3)c2)C1 ZINC000098015111 554095757 /nfs/dbraw/zinc/09/57/57/554095757.db2.gz DOGACWYHMKEOIB-VWLOTQADSA-N 0 0 577.726 4.958 50 0 KJAARN CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(N4CCN(c5ccccc5Cl)CC4)cc(C(F)(F)F)n3)o2)CC1 ZINC000098015133 554096201 /nfs/dbraw/zinc/09/62/01/554096201.db2.gz RKAGZXKOWANALO-UHFFFAOYSA-N 0 0 609.074 4.665 50 0 KJAARN O=C(c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)o1)N1CCOCC1 ZINC000098015136 554096192 /nfs/dbraw/zinc/09/61/92/554096192.db2.gz KXIAKYGULYBQIF-UHFFFAOYSA-N 0 0 599.713 4.552 50 0 KJAARN Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)o2)n1 ZINC000098015144 554096190 /nfs/dbraw/zinc/09/61/90/554096190.db2.gz PLYKBXARHTWJGG-UHFFFAOYSA-N 0 0 535.073 4.975 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000098015147 554096218 /nfs/dbraw/zinc/09/62/18/554096218.db2.gz GLVKQQSZZIAORM-HSZRJFAPSA-N 0 0 530.046 4.775 50 0 KJAARN COc1cc2c(cc1OC)[C@H](CNS(=O)(=O)c1ccc(C)cc1)N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000098015148 554096223 /nfs/dbraw/zinc/09/62/23/554096223.db2.gz GLVKQQSZZIAORM-QHCPKHFHSA-N 0 0 530.046 4.775 50 0 KJAARN COCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NCCc3ccccn3)o2)n1 ZINC000098015169 554096457 /nfs/dbraw/zinc/09/64/57/554096457.db2.gz WGJYQXTYVCKFQA-UHFFFAOYSA-N 0 0 577.707 4.572 50 0 KJAARN COCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NCc3ccco3)o2)n1 ZINC000098015170 554096565 /nfs/dbraw/zinc/09/65/65/554096565.db2.gz WMAKKWLQMVXSBR-UHFFFAOYSA-N 0 0 552.653 4.727 50 0 KJAARN COCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)n1 ZINC000098015171 554096490 /nfs/dbraw/zinc/09/64/90/554096490.db2.gz OQOPJCWZYKNFAA-UHFFFAOYSA-N 0 0 606.701 4.863 50 0 KJAARN COCc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)NCCc3ccccn3)o2)n1 ZINC000098015185 554096619 /nfs/dbraw/zinc/09/66/19/554096619.db2.gz NWMYTPNCVWXWFA-UHFFFAOYSA-N 0 0 579.126 4.856 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCN(c5ccccc5Cl)CC4)n3)o2)C1 ZINC000098015188 554096862 /nfs/dbraw/zinc/09/68/62/554096862.db2.gz JSFNQXZAXLQVTF-OAQYLSRUSA-N 0 0 614.168 4.904 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCN(c5ccccc5Cl)CC4)n3)o2)C1 ZINC000098015189 554096889 /nfs/dbraw/zinc/09/68/89/554096889.db2.gz JSFNQXZAXLQVTF-NRFANRHFSA-N 0 0 614.168 4.904 50 0 KJAARN COCCNC(=O)c1ccc(CSc2nc(C)cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000098015205 554096881 /nfs/dbraw/zinc/09/68/81/554096881.db2.gz UMXYLJZOZGVULT-UHFFFAOYSA-N 0 0 545.631 4.799 50 0 KJAARN Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000098015212 554096869 /nfs/dbraw/zinc/09/68/69/554096869.db2.gz NBFJHHVSKDZXDC-UHFFFAOYSA-N 0 0 557.642 4.895 50 0 KJAARN CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(C)cc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)n3)cc2)CC1 ZINC000098015214 554096895 /nfs/dbraw/zinc/09/68/95/554096895.db2.gz XHGNCVOPJRJEGK-UHFFFAOYSA-N 0 0 598.695 4.727 50 0 KJAARN Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 ZINC000098015218 554096832 /nfs/dbraw/zinc/09/68/32/554096832.db2.gz NNXRSDYUTNWJGF-UHFFFAOYSA-N 0 0 570.685 4.810 50 0 KJAARN COc1ccc(CCN(C)c2cc(C)nc(SCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)n2)cc1OC ZINC000098015219 554097170 /nfs/dbraw/zinc/09/71/70/554097170.db2.gz WJVWCOVJZVBMHY-DEOSSOPVSA-N 0 0 536.698 4.682 50 0 KJAARN COc1ccc(CCN(C)c2cc(C)nc(SCc3cccc(C(=O)NC[C@H]4CCCO4)c3)n2)cc1OC ZINC000098015220 554097207 /nfs/dbraw/zinc/09/72/07/554097207.db2.gz WJVWCOVJZVBMHY-XMMPIXPASA-N 0 0 536.698 4.682 50 0 KJAARN Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2cccc(C(=O)N3CCN(C)CC3)c2)n1 ZINC000098015229 554097242 /nfs/dbraw/zinc/09/72/42/554097242.db2.gz TVQIQMSEVPEYMO-UHFFFAOYSA-N 0 0 570.685 4.810 50 0 KJAARN Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)n1 ZINC000098015235 554097158 /nfs/dbraw/zinc/09/71/58/554097158.db2.gz YYSOGVBOFSKMMW-NRFANRHFSA-N 0 0 561.630 4.925 50 0 KJAARN Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)n1 ZINC000098015236 554097200 /nfs/dbraw/zinc/09/72/00/554097200.db2.gz YYSOGVBOFSKMMW-OAQYLSRUSA-N 0 0 561.630 4.925 50 0 KJAARN COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NCc3ccncc3)cc2)n1 ZINC000098015243 554097270 /nfs/dbraw/zinc/09/72/70/554097270.db2.gz FZPNHFLRPLVAPE-UHFFFAOYSA-N 0 0 558.683 4.706 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCN(c5ccccc5F)CC4)n3)cc2)C1 ZINC000098015246 554097212 /nfs/dbraw/zinc/09/72/12/554097212.db2.gz MMCFUWIYKGMXGJ-RUZDIDTESA-N 0 0 607.752 4.796 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCN(c5ccccc5F)CC4)n3)cc2)C1 ZINC000098015247 554097214 /nfs/dbraw/zinc/09/72/14/554097214.db2.gz MMCFUWIYKGMXGJ-VWLOTQADSA-N 0 0 607.752 4.796 50 0 KJAARN COCCNC(=O)c1ccc(CSc2nc(COC)cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000098015257 554097515 /nfs/dbraw/zinc/09/75/15/554097515.db2.gz ZKFFKGHSSLOYTA-UHFFFAOYSA-N 0 0 575.657 4.637 50 0 KJAARN COCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000098015263 554097522 /nfs/dbraw/zinc/09/75/22/554097522.db2.gz QPCNVEKPPYXCFU-UHFFFAOYSA-N 0 0 587.668 4.733 50 0 KJAARN COCc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)n1 ZINC000098015264 554097524 /nfs/dbraw/zinc/09/75/24/554097524.db2.gz PZAFDBOCXFNADX-UHFFFAOYSA-N 0 0 628.721 4.565 50 0 KJAARN Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 ZINC000098015276 554097459 /nfs/dbraw/zinc/09/74/59/554097459.db2.gz PTWFSDIUASDEFS-QHCPKHFHSA-N 0 0 538.117 4.966 50 0 KJAARN Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 ZINC000098015277 554097467 /nfs/dbraw/zinc/09/74/67/554097467.db2.gz PTWFSDIUASDEFS-HSZRJFAPSA-N 0 0 538.117 4.966 50 0 KJAARN CC(=O)N1CCN(C(=O)c2cccc(Nc3c(Oc4ccc(Cl)cc4)cnn(-c4ccccc4)c3=O)c2)CC1 ZINC000098015285 554097749 /nfs/dbraw/zinc/09/77/49/554097749.db2.gz HFUVKVARFOLIHG-UHFFFAOYSA-N 0 0 544.011 4.726 50 0 KJAARN COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NCc3ccccn3)c2)n1 ZINC000098015286 554097797 /nfs/dbraw/zinc/09/77/97/554097797.db2.gz RSCFKIKJNVUPBO-UHFFFAOYSA-N 0 0 558.683 4.706 50 0 KJAARN COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NCc3cccnc3)c2)n1 ZINC000098015287 554097808 /nfs/dbraw/zinc/09/78/08/554097808.db2.gz OCDHYDRMHZBTKY-UHFFFAOYSA-N 0 0 558.683 4.706 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(COC)cc(N(C)Cc4ccccc4)n3)c2)C1 ZINC000098015295 554097833 /nfs/dbraw/zinc/09/78/33/554097833.db2.gz BTUONAKLRSROPZ-RUZDIDTESA-N 0 0 548.709 4.967 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(COC)cc(N(C)Cc4ccccc4)n3)c2)C1 ZINC000098015296 554097747 /nfs/dbraw/zinc/09/77/47/554097747.db2.gz BTUONAKLRSROPZ-VWLOTQADSA-N 0 0 548.709 4.967 50 0 KJAARN CC(=O)N1CCN(C(=O)c2cccc(Nc3c(Oc4ccccc4)cnn(-c4ccc(Cl)cc4)c3=O)c2)CC1 ZINC000098015305 554097794 /nfs/dbraw/zinc/09/77/94/554097794.db2.gz VQEGVKGEKONKJH-UHFFFAOYSA-N 0 0 544.011 4.726 50 0 KJAARN Cc1nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000098015308 554097789 /nfs/dbraw/zinc/09/77/89/554097789.db2.gz MPZYWSQAYYIAJJ-DEOSSOPVSA-N 0 0 535.689 4.760 50 0 KJAARN Cc1nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000098015309 554097755 /nfs/dbraw/zinc/09/77/55/554097755.db2.gz MPZYWSQAYYIAJJ-XMMPIXPASA-N 0 0 535.689 4.760 50 0 KJAARN COc1ccc(CCN(C)c2nc(SCc3ccc(C(=O)N4CCOCC4)cc3)nc(C)c2C)cc1OC ZINC000098015335 554098100 /nfs/dbraw/zinc/09/81/00/554098100.db2.gz XFDQKEZEEONBPM-UHFFFAOYSA-N 0 0 536.698 4.554 50 0 KJAARN CCNC(=O)c1ccc(CSc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(C(C)(C)C)n2)cc1 ZINC000098015355 554098495 /nfs/dbraw/zinc/09/84/95/554098495.db2.gz CEORULMCBWJZQD-UHFFFAOYSA-N 0 0 547.725 4.867 50 0 KJAARN CC(C)(C)c1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000098015359 554098582 /nfs/dbraw/zinc/09/85/82/554098582.db2.gz IVJSZBSUGLRKBC-UHFFFAOYSA-N 0 0 589.762 4.590 50 0 KJAARN COc1ccc(CCN(C)c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)NCCN4CCOCC4)c3)n2)cc1OC ZINC000098015361 554098590 /nfs/dbraw/zinc/09/85/90/554098590.db2.gz HLNCCDJLPDKZJS-UHFFFAOYSA-N 0 0 607.821 4.825 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2cccc(Nc3c(OC(C)C)cnn(-c4ccc(Cl)cc4)c3=O)c2)CC1 ZINC000098015376 554098744 /nfs/dbraw/zinc/09/87/44/554098744.db2.gz KRMWDAYNXSMHTL-UHFFFAOYSA-N 0 0 539.032 4.832 50 0 KJAARN CC(=O)N1CCN(C(=O)c2cccc(Nc3c(Oc4cccc(Cl)c4)cnn(-c4ccccc4)c3=O)c2)CC1 ZINC000098015387 554098764 /nfs/dbraw/zinc/09/87/64/554098764.db2.gz QGSQNZYBTUTHSF-UHFFFAOYSA-N 0 0 544.011 4.726 50 0 KJAARN COc1ccc(-n2ncc(Oc3ccc(Cl)cc3)c(Nc3cccc(C(=O)N4CCOCC4)c3)c2=O)cc1 ZINC000098015390 554098788 /nfs/dbraw/zinc/09/87/88/554098788.db2.gz XPXAGRCAZFDUBA-UHFFFAOYSA-N 0 0 532.984 4.903 50 0 KJAARN COc1ccc(-n2ncc(Oc3ccc(Cl)cc3)c(Nc3cccc(C(=O)N4CCN(C)CC4)c3)c2=O)cc1 ZINC000098015392 554098794 /nfs/dbraw/zinc/09/87/94/554098794.db2.gz SVNBDJKYISODCK-UHFFFAOYSA-N 0 0 546.027 4.818 50 0 KJAARN Cc1nc(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)nc(N2CCN(c3ccccc3Cl)CC2)c1C ZINC000098015419 554099289 /nfs/dbraw/zinc/09/92/89/554099289.db2.gz YDGPKUDYWJMAFD-UHFFFAOYSA-N 0 0 551.160 4.753 50 0 KJAARN Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3cccc(C(=O)NC[C@@H]4CCCO4)c3)c2=O)cc1 ZINC000098015426 554099176 /nfs/dbraw/zinc/09/91/76/554099176.db2.gz WBTPVBORGDYVFC-DEOSSOPVSA-N 0 0 540.576 4.714 50 0 KJAARN Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3cccc(C(=O)NC[C@H]4CCCO4)c3)c2=O)cc1 ZINC000098015427 554099236 /nfs/dbraw/zinc/09/92/36/554099236.db2.gz WBTPVBORGDYVFC-XMMPIXPASA-N 0 0 540.576 4.714 50 0 KJAARN CCN1CCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)OCO5)cnn(-c4ccc(C)cc4)c3=O)c2)CC1 ZINC000098015428 554099167 /nfs/dbraw/zinc/09/91/67/554099167.db2.gz NRYQCVDEBDHKDZ-UHFFFAOYSA-N 0 0 553.619 4.583 50 0 KJAARN Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)c2=O)cc1 ZINC000098015436 554099278 /nfs/dbraw/zinc/09/92/78/554099278.db2.gz ZDRGFITWDIINNS-DEOSSOPVSA-N 0 0 540.576 4.714 50 0 KJAARN Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3ccc(C(=O)NC[C@H]4CCCO4)cc3)c2=O)cc1 ZINC000098015437 554099147 /nfs/dbraw/zinc/09/91/47/554099147.db2.gz ZDRGFITWDIINNS-XMMPIXPASA-N 0 0 540.576 4.714 50 0 KJAARN CN1CCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)OCO5)cnn(-c4cccc(Cl)c4)c3=O)c2)CC1 ZINC000098015470 554099437 /nfs/dbraw/zinc/09/94/37/554099437.db2.gz GTDHFEVJGQTEIW-UHFFFAOYSA-N 0 0 560.010 4.538 50 0 KJAARN COc1ccc(Oc2cnn(-c3cccc(Cl)c3)c(=O)c2Nc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000098015478 554099854 /nfs/dbraw/zinc/09/98/54/554099854.db2.gz DXXYBYMPHDTABE-UHFFFAOYSA-N 0 0 532.984 4.903 50 0 KJAARN COc1ccc(Oc2cnn(-c3cccc(Cl)c3)c(=O)c2Nc2cccc(C(=O)N3CCN(C(C)=O)CC3)c2)cc1 ZINC000098015481 554099838 /nfs/dbraw/zinc/09/98/38/554099838.db2.gz RMLVBROPYFIHFQ-UHFFFAOYSA-N 0 0 574.037 4.735 50 0 KJAARN O=C(NCCN1CCOCC1)c1cccc(Nc2c(Oc3ccc4c(c3)CCC4)cnn(-c3cccc(Cl)c3)c2=O)c1 ZINC000098015497 554099856 /nfs/dbraw/zinc/09/98/56/554099856.db2.gz IFISEEBJMPWXIO-UHFFFAOYSA-N 0 0 586.092 4.973 50 0 KJAARN COc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c(=O)c2Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000098015554 554100281 /nfs/dbraw/zinc/10/02/81/554100281.db2.gz CWSXGHZPFVACJB-UHFFFAOYSA-N 0 0 532.984 4.903 50 0 KJAARN COc1ccc(-n2ncc(Oc3ccc4c(c3)CCC4)c(Nc3cccc(C(=O)N4CCN(C)CC4)c3)c2=O)cc1 ZINC000098015582 554100623 /nfs/dbraw/zinc/10/06/23/554100623.db2.gz CJNPNVSWPCLLNC-UHFFFAOYSA-N 0 0 551.647 4.653 50 0 KJAARN COc1ccc(-n2ncc(Oc3ccc4c(c3)CCC4)c(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)c2=O)cc1 ZINC000098015594 554100962 /nfs/dbraw/zinc/10/09/62/554100962.db2.gz FZECEKITKZGKAX-UHFFFAOYSA-N 0 0 579.657 4.570 50 0 KJAARN COc1ccc(-n2ncc(Oc3ccc4c(c3)CCC4)c(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c2=O)cc1 ZINC000098015597 554100972 /nfs/dbraw/zinc/10/09/72/554100972.db2.gz ZBWYARAYOOIYMD-UHFFFAOYSA-N 0 0 551.647 4.653 50 0 KJAARN CC(=O)N1CCN(C(=O)c2cccc(Nc3c(Oc4ccccc4)cnn(-c4ccccc4Cl)c3=O)c2)CC1 ZINC000098015663 554101192 /nfs/dbraw/zinc/10/11/92/554101192.db2.gz BMTSJTXELQQVIW-UHFFFAOYSA-N 0 0 544.011 4.726 50 0 KJAARN COc1ccc(-n2ncc(Oc3cccc(C(C)C)c3)c(Nc3ccc(C(=O)NCCN4CCOCC4)cc3)c2=O)cc1 ZINC000098015671 554101267 /nfs/dbraw/zinc/10/12/67/554101267.db2.gz SWMJTWCZLAKCFC-UHFFFAOYSA-N 0 0 583.689 4.962 50 0 KJAARN COc1ccc(-n2ncc(Oc3cccc(C)c3C)c(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)c2=O)cc1 ZINC000098015697 554101552 /nfs/dbraw/zinc/10/15/52/554101552.db2.gz AMCMBPGEOPZEGD-UHFFFAOYSA-N 0 0 567.646 4.698 50 0 KJAARN CC(=O)N1CCN(C(=O)c2ccc(Nc3c(Oc4ccccc4C)cnn(-c4ccc(F)cc4)c3=O)cc2)CC1 ZINC000098015730 554101814 /nfs/dbraw/zinc/10/18/14/554101814.db2.gz QDQAJALURFGZII-UHFFFAOYSA-N 0 0 541.583 4.520 50 0 KJAARN Cc1nc(C)c(Cc2cccc(C(F)(F)F)c2)c(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 ZINC000098016515 554102122 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Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)C(=O)CCc2ccccc2)s1 ZINC000098019507 554112731 /nfs/dbraw/zinc/11/27/31/554112731.db2.gz INSWDEPMTAMVFR-UHFFFAOYSA-N 0 0 537.701 4.518 50 0 KJAARN COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)Nc1ccc(OC)cc1OC ZINC000098019532 554113066 /nfs/dbraw/zinc/11/30/66/554113066.db2.gz UKYSVMFNAODXRU-UHFFFAOYSA-N 0 0 585.723 4.843 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC(C)C)cc1 ZINC000098019548 554113029 /nfs/dbraw/zinc/11/30/29/554113029.db2.gz BFJNMVYNRNDKJN-UHFFFAOYSA-N 0 0 617.694 4.799 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCC(Cc4ccccc4)CC3)cs2)CC(C)C)cc1 ZINC000098019551 554113045 /nfs/dbraw/zinc/11/30/45/554113045.db2.gz PEJADBZMYVFIOK-UHFFFAOYSA-N 0 0 562.736 4.912 50 0 KJAARN COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)Nc1ccc(Br)cc1 ZINC000098019610 554113515 /nfs/dbraw/zinc/11/35/15/554113515.db2.gz IPKWXPONDWFFTN-UHFFFAOYSA-N 0 0 574.472 4.811 50 0 KJAARN 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COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000098019833 554114654 /nfs/dbraw/zinc/11/46/54/554114654.db2.gz CXHXNAWBPUNIJB-UHFFFAOYSA-N 0 0 618.558 4.958 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCC(C)C)S(=O)(=O)c2ccccc2)cc1OC ZINC000098019836 554114712 /nfs/dbraw/zinc/11/47/12/554114712.db2.gz JRYAYKJWCKEWOW-UHFFFAOYSA-N 0 0 542.698 4.914 50 0 KJAARN Cc1ccccc1C(=O)N(CC(=O)Nc1nc(CC(=O)NCCc2ccc(Cl)cc2Cl)cs1)C1CC1 ZINC000098019850 554114967 /nfs/dbraw/zinc/11/49/67/554114967.db2.gz DNNFVMJXBORLCM-UHFFFAOYSA-N 0 0 545.492 4.903 50 0 KJAARN O=C(Cc1csc(NC(=O)CN(C(=O)c2ccc(F)cc2)C2CC2)n1)NCCc1ccc(Cl)cc1Cl ZINC000098019854 554115055 /nfs/dbraw/zinc/11/50/55/554115055.db2.gz LQDYPPLBRATQKZ-UHFFFAOYSA-N 0 0 549.455 4.734 50 0 KJAARN COCCN(CC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2)cs1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000098019877 554114949 /nfs/dbraw/zinc/11/49/49/554114949.db2.gz GXNWYAHFGCTKKA-UHFFFAOYSA-N 0 0 535.453 4.667 50 0 KJAARN COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)COc1ccc(Cl)cc1 ZINC000098019907 554115341 /nfs/dbraw/zinc/11/53/41/554115341.db2.gz FXNFJSFAIMNUTL-UHFFFAOYSA-N 0 0 563.050 4.838 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)S(=O)(=O)c1cccc2ccccc21 ZINC000098019942 554115597 /nfs/dbraw/zinc/11/55/97/554115597.db2.gz POOBDNVUXFKNIM-UHFFFAOYSA-N 0 0 588.657 4.951 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O ZINC000098019991 554115926 /nfs/dbraw/zinc/11/59/26/554115926.db2.gz RJOZWSKDRMQWFD-VWLOTQADSA-N 0 0 572.589 4.511 50 0 KJAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O ZINC000098019992 554115939 /nfs/dbraw/zinc/11/59/39/554115939.db2.gz RJOZWSKDRMQWFD-RUZDIDTESA-N 0 0 572.589 4.511 50 0 KJAARN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(=O)N1CCOCC1 ZINC000098020068 554116598 /nfs/dbraw/zinc/11/65/98/554116598.db2.gz VDLIHAHTRFLPHI-UHFFFAOYSA-N 0 0 545.511 4.615 50 0 KJAARN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(=O)N1CCOCC1 ZINC000098020071 554116461 /nfs/dbraw/zinc/11/64/61/554116461.db2.gz CLRLBDXDFPVAAA-UHFFFAOYSA-N 0 0 559.538 4.863 50 0 KJAARN O=c1c2c3c(sc2ncn1CCc1ccccc1)CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC3 ZINC000098020117 554116769 /nfs/dbraw/zinc/11/67/69/554116769.db2.gz KVRZVVBLMKEMJD-UHFFFAOYSA-N 0 0 520.463 4.755 50 0 KJAARN COc1ccccc1Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000098021380 554118369 /nfs/dbraw/zinc/11/83/69/554118369.db2.gz CTAPHJJLKORNFO-UHFFFAOYSA-N 0 0 528.440 4.810 50 0 KJAARN Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 ZINC000098021419 554118716 /nfs/dbraw/zinc/11/87/16/554118716.db2.gz LFTRIWWUOTVCJQ-UHFFFAOYSA-N 0 0 535.895 4.611 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccc(F)c4)nc(C)c3Cc3ccccc3)CC2)cc1 ZINC000098021479 554118997 /nfs/dbraw/zinc/11/89/97/554118997.db2.gz PMLGTQUDWQZJJH-UHFFFAOYSA-N 0 0 532.641 4.701 50 0 KJAARN Cc1nc(C)c(Cc2cccc(C(F)(F)F)c2)c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000098021517 554119201 /nfs/dbraw/zinc/11/92/01/554119201.db2.gz HPGLDNAAURMGOE-UHFFFAOYSA-N 0 0 524.996 4.867 50 0 KJAARN CCN(CC)C(=O)c1sc2nc(SCC(=O)NCCOc3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000098023050 554120329 /nfs/dbraw/zinc/12/03/29/554120329.db2.gz GFYHQYRBWYAACA-UHFFFAOYSA-N 0 0 550.706 4.525 50 0 KJAARN Cc1nccn1C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098023100 554120323 /nfs/dbraw/zinc/12/03/23/554120323.db2.gz JHXSDBGLEQNHFC-HNNXBMFYSA-N 0 0 557.173 4.570 50 0 KJAARN Cc1nccn1C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098023102 554120273 /nfs/dbraw/zinc/12/02/73/554120273.db2.gz JHXSDBGLEQNHFC-OAHLLOKOSA-N 0 0 557.173 4.570 50 0 KJAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccc(OC)cc2N(C(=O)c2ccccc2)C1(C)C ZINC000098023294 554120816 /nfs/dbraw/zinc/12/08/16/554120816.db2.gz IIYKYEXLFVPTOS-UHFFFAOYSA-N 0 0 683.782 4.926 50 0 KJAARN COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000098042765 554121992 /nfs/dbraw/zinc/12/19/92/554121992.db2.gz YSQATJUNFVWVDW-MHZLTWQESA-N 0 0 548.592 4.814 50 0 KJAARN COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000098042766 554121998 /nfs/dbraw/zinc/12/19/98/554121998.db2.gz YSQATJUNFVWVDW-HHHXNRCGSA-N 0 0 548.592 4.814 50 0 KJAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc(O)c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000098042903 554122993 /nfs/dbraw/zinc/12/29/93/554122993.db2.gz UMRPYHJSQBRMCB-LMHXZZLNSA-N 0 0 525.196 4.802 50 0 KJAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(O)c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000098042904 554123020 /nfs/dbraw/zinc/12/30/20/554123020.db2.gz UMRPYHJSQBRMCB-TUUBTQOTSA-N 0 0 525.196 4.802 50 0 KJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(O)c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000098042905 554122913 /nfs/dbraw/zinc/12/29/13/554122913.db2.gz UMRPYHJSQBRMCB-CSKPTYFESA-N 0 0 525.196 4.802 50 0 KJAARN O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccc(Cl)cc1Cl)N2 ZINC000098042951 554123600 /nfs/dbraw/zinc/12/36/00/554123600.db2.gz URIWXBJRLZUCBG-UHFFFAOYSA-N 0 0 527.208 4.677 50 0 KJAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000098042954 554123619 /nfs/dbraw/zinc/12/36/19/554123619.db2.gz LTQYCTWOUGLQCW-OWXSRONMSA-N 0 0 531.584 4.784 50 0 KJAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000098042955 554123621 /nfs/dbraw/zinc/12/36/21/554123621.db2.gz LTQYCTWOUGLQCW-ZMIGGIFCSA-N 0 0 531.584 4.784 50 0 KJAARN COc1cc(C2N(S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000098042983 554123606 /nfs/dbraw/zinc/12/36/06/554123606.db2.gz JQFGHVJQETVIMN-UHFFFAOYSA-N 0 0 656.804 4.782 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccc(F)cc3)c(OC)c2)c(OC)c1 ZINC000098043028 554123851 /nfs/dbraw/zinc/12/38/51/554123851.db2.gz JSXFGILCEDXCNS-MHZLTWQESA-N 0 0 545.571 4.950 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccc(F)cc3)c(OC)c2)c(OC)c1 ZINC000098043029 554123820 /nfs/dbraw/zinc/12/38/20/554123820.db2.gz JSXFGILCEDXCNS-HHHXNRCGSA-N 0 0 545.571 4.950 50 0 KJAARN COc1cc(C)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000098043058 554124087 /nfs/dbraw/zinc/12/40/87/554124087.db2.gz JXRGYBPLIMBWND-UHFFFAOYSA-N 0 0 568.648 4.986 50 0 KJAARN Cc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2)nn1Cc1ccc(Cl)cc1 ZINC000098043134 554124904 /nfs/dbraw/zinc/12/49/04/554124904.db2.gz FXISFDPFTURFDR-UHFFFAOYSA-N 0 0 607.998 4.900 50 0 KJAARN COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2cc(Cl)ccc2O)n1 ZINC000098043137 554124892 /nfs/dbraw/zinc/12/48/92/554124892.db2.gz GJJLKXPELYZAIJ-UHFFFAOYSA-N 0 0 529.924 4.723 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2nc(-c3ccccc3OC)cc(C(F)(F)F)n2)c(C(=O)OC)c1C ZINC000098043144 554124921 /nfs/dbraw/zinc/12/49/21/554124921.db2.gz IIIBHHAMHGNSLG-UHFFFAOYSA-N 0 0 629.635 4.697 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc3cc(Br)ccc3O)n2)cc1OC ZINC000098043161 554125184 /nfs/dbraw/zinc/12/51/84/554125184.db2.gz HWKLWSRBAXJFHU-UHFFFAOYSA-N 0 0 604.401 4.840 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2)c(C(=O)OC)c1C ZINC000098043170 554125201 /nfs/dbraw/zinc/12/52/01/554125201.db2.gz MVGRLWKTSXWSJO-UHFFFAOYSA-N 0 0 659.661 4.705 50 0 KJAARN COC(=O)c1c2c(sc1NC(=O)CCCS(=O)(=O)c1nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n1)CCC2 ZINC000098043172 554125223 /nfs/dbraw/zinc/12/52/23/554125223.db2.gz VLDDZUDVXUNJTR-UHFFFAOYSA-N 0 0 613.636 4.709 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc3ccn(Cc4ccc(C)cc4)n3)n2)cc1OC ZINC000098043185 554125535 /nfs/dbraw/zinc/12/55/35/554125535.db2.gz KXMPBFZXEOXESD-UHFFFAOYSA-N 0 0 603.623 4.925 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc3ccn(Cc4ccccc4C)n3)n2)cc1OC ZINC000098043186 554125553 /nfs/dbraw/zinc/12/55/53/554125553.db2.gz UVKFQSDSDRSUQH-UHFFFAOYSA-N 0 0 603.623 4.925 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098043205 554125502 /nfs/dbraw/zinc/12/55/02/554125502.db2.gz CSCHGMNXPLZAHU-RUZDIDTESA-N 0 0 547.608 4.520 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098043206 554125562 /nfs/dbraw/zinc/12/55/62/554125562.db2.gz CSCHGMNXPLZAHU-VWLOTQADSA-N 0 0 547.608 4.520 50 0 KJAARN COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000098043212 554125465 /nfs/dbraw/zinc/12/54/65/554125465.db2.gz NBFZYZSPAIMSSG-JOCHJYFZSA-N 0 0 527.499 4.530 50 0 KJAARN COc1ccc(CCN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000098043213 554125531 /nfs/dbraw/zinc/12/55/31/554125531.db2.gz NBFZYZSPAIMSSG-QFIPXVFZSA-N 0 0 527.499 4.530 50 0 KJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098043214 554125480 /nfs/dbraw/zinc/12/54/80/554125480.db2.gz ITILBZLURRVOKC-XMMPIXPASA-N 0 0 535.572 4.650 50 0 KJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098043215 554125495 /nfs/dbraw/zinc/12/54/95/554125495.db2.gz ITILBZLURRVOKC-DEOSSOPVSA-N 0 0 535.572 4.650 50 0 KJAARN COC(=O)Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2Br)cc1 ZINC000098043283 554126159 /nfs/dbraw/zinc/12/61/59/554126159.db2.gz VBNZOJFMHULURM-UHFFFAOYSA-N 0 0 536.014 4.707 50 0 KJAARN COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3OC)cc2)cc1 ZINC000098043285 554126420 /nfs/dbraw/zinc/12/64/20/554126420.db2.gz WGIHJAGGVWXTFE-UHFFFAOYSA-N 0 0 544.629 4.899 50 0 KJAARN O=C(COC(=O)c1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)nc1)c1ccc(Br)cc1 ZINC000098043332 554126707 /nfs/dbraw/zinc/12/67/07/554126707.db2.gz KXNQQPDDJPNMQR-UHFFFAOYSA-N 0 0 561.182 4.686 50 0 KJAARN O=C(CSc1ccccn1)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)CSc3ccccn3)c2)c1 ZINC000098043365 554126763 /nfs/dbraw/zinc/12/67/63/554126763.db2.gz UEMQWFYUKWKWLA-UHFFFAOYSA-N 0 0 550.687 4.771 50 0 KJAARN O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccncc2)C3=O)cc1)c1ccc2c(c1)C(=O)N(c1ccncc1)C2=O ZINC000098043413 554127097 /nfs/dbraw/zinc/12/70/97/554127097.db2.gz ZOIGYWNBCDZBCI-UHFFFAOYSA-N 0 0 610.538 4.516 50 0 KJAARN O=C1c2ccccc2C(=O)N1N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000098043420 554127148 /nfs/dbraw/zinc/12/71/48/554127148.db2.gz STGWSXMRTWLBGX-UHFFFAOYSA-N 0 0 607.834 4.544 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 ZINC000098043503 554128042 /nfs/dbraw/zinc/12/80/42/554128042.db2.gz VGZKZNHILRVRGG-MHZLTWQESA-N 0 0 545.571 4.950 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 ZINC000098043504 554128073 /nfs/dbraw/zinc/12/80/73/554128073.db2.gz VGZKZNHILRVRGG-HHHXNRCGSA-N 0 0 545.571 4.950 50 0 KJAARN COC(=O)c1c(NC(=S)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)sc2c1CC[C@@H](C)C2 ZINC000098043529 554128056 /nfs/dbraw/zinc/12/80/56/554128056.db2.gz DIALRALKTNGNDO-CYBMUJFWSA-N 0 0 562.566 4.670 50 0 KJAARN COC(=O)c1c(NC(=S)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)sc2c1CC[C@H](C)C2 ZINC000098043530 554128039 /nfs/dbraw/zinc/12/80/39/554128039.db2.gz DIALRALKTNGNDO-ZDUSSCGKSA-N 0 0 562.566 4.670 50 0 KJAARN Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)N1[C@@H](c3ccccc3)[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3N1[C@H]2c1ccccc1 ZINC000098043650 554128646 /nfs/dbraw/zinc/12/86/46/554128646.db2.gz MXMUZKZWMUCQNP-AAWHSFAPSA-N 0 0 582.660 4.748 50 0 KJAARN Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)N1[C@H](c3ccccc3)[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3N1[C@H]2c1ccccc1 ZINC000098043651 554128643 /nfs/dbraw/zinc/12/86/43/554128643.db2.gz MXMUZKZWMUCQNP-JQUHQKEMSA-N 0 0 582.660 4.748 50 0 KJAARN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000098043800 554128813 /nfs/dbraw/zinc/12/88/13/554128813.db2.gz HUFOZJXAKZVRNJ-UHFFFAOYSA-N 0 0 555.561 4.784 50 0 investigational KJAARN Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)c(=O)[nH]1 ZINC000098043813 554128954 /nfs/dbraw/zinc/12/89/54/554128954.db2.gz ZOIBZSZLMJDVDQ-UHFFFAOYSA-N 0 0 539.680 4.886 50 0 in-vitro KJAARN O=C1C[C@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(N2C(=O)C[C@H](N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000098044502 554128974 /nfs/dbraw/zinc/12/89/74/554128974.db2.gz POTHIAUAXXFKSJ-HEVIKAOCSA-N 0 0 618.778 4.860 50 0 KJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000098044720 554129452 /nfs/dbraw/zinc/12/94/52/554129452.db2.gz HRQJIIPVNIZQMT-UHFFFAOYSA-N 0 0 571.634 4.501 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000098044814 554129775 /nfs/dbraw/zinc/12/97/75/554129775.db2.gz ANRYTODBXMXSCM-UHFFFAOYSA-N 0 0 609.726 4.955 50 0 KJAARN Cc1ccc(=O)n([C@@H](C(=O)c2ccc(F)cc2)C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 ZINC000098045198 554131312 /nfs/dbraw/zinc/13/13/12/554131312.db2.gz VFSRRWUJPOEPJM-PMERELPUSA-N 0 0 538.619 4.895 50 0 KJAARN Cc1ccc(=O)n([C@H](C(=O)c2ccc(F)cc2)C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 ZINC000098045199 554131324 /nfs/dbraw/zinc/13/13/24/554131324.db2.gz VFSRRWUJPOEPJM-SSEXGKCCSA-N 0 0 538.619 4.895 50 0 KJAARN COc1ccc(C2=NN(c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cs3)[C@H](c3ccco3)C2)cc1 ZINC000098045394 554131268 /nfs/dbraw/zinc/13/12/68/554131268.db2.gz XNPFPWKRPPRFMC-VWLOTQADSA-N 0 0 550.662 4.788 50 0 KJAARN COc1ccc(C2=NN(c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cs3)[C@@H](c3ccco3)C2)cc1 ZINC000098045395 554131566 /nfs/dbraw/zinc/13/15/66/554131566.db2.gz XNPFPWKRPPRFMC-RUZDIDTESA-N 0 0 550.662 4.788 50 0 KJAARN CCCCC(=O)N1c2cc(OC)ccc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C ZINC000098045433 554131524 /nfs/dbraw/zinc/13/15/24/554131524.db2.gz NGGROLVJKFEIPL-UHFFFAOYSA-N 0 0 663.792 4.803 50 0 KJAARN O=C(c1csc(Nc2ccccc2Cl)n1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000098045479 554131811 /nfs/dbraw/zinc/13/18/11/554131811.db2.gz SUGNPOZKKOQNMB-UHFFFAOYSA-N 0 0 528.053 4.880 50 0 KJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)N2CCN(c3ccccc3)CC2)n[nH]1 ZINC000098045488 554131806 /nfs/dbraw/zinc/13/18/06/554131806.db2.gz LOMXTNIRIQDRTE-QFIPXVFZSA-N 0 0 547.512 4.680 50 0 KJAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)N2CCN(c3ccccc3)CC2)n[nH]1 ZINC000098045489 554131793 /nfs/dbraw/zinc/13/17/93/554131793.db2.gz LOMXTNIRIQDRTE-JOCHJYFZSA-N 0 0 547.512 4.680 50 0 KJAARN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2C)cc1 ZINC000098045496 554131821 /nfs/dbraw/zinc/13/18/21/554131821.db2.gz TYGQPEQSDPOBTK-ZDUSSCGKSA-N 0 0 522.856 4.761 50 0 KJAARN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2C)cc1 ZINC000098045497 554131795 /nfs/dbraw/zinc/13/17/95/554131795.db2.gz TYGQPEQSDPOBTK-CYBMUJFWSA-N 0 0 522.856 4.761 50 0 KJAARN CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000098045499 554131815 /nfs/dbraw/zinc/13/18/15/554131815.db2.gz FQNKVGLIVQDLMN-UHFFFAOYSA-N 0 0 522.856 4.683 50 0 KJAARN COc1cc(C2N(S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)ccc1CS(=O)(=O)c1ccccc1 ZINC000098045640 554132963 /nfs/dbraw/zinc/13/29/63/554132963.db2.gz DAWRGUVBKSRKBC-UHFFFAOYSA-N 0 0 640.805 4.680 50 0 KJAARN COC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000098045695 554133201 /nfs/dbraw/zinc/13/32/01/554133201.db2.gz DBXIOXIPJWQEFQ-SANMLTNESA-N 0 0 522.388 4.976 50 0 KJAARN COC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000098045696 554133435 /nfs/dbraw/zinc/13/34/35/554133435.db2.gz DBXIOXIPJWQEFQ-AREMUKBSSA-N 0 0 522.388 4.976 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCCOC)=C(C)NC(C)=C2C(=O)OCCOC)cc1F ZINC000098045736 554133541 /nfs/dbraw/zinc/13/35/41/554133541.db2.gz GVHRFGWWNQGEBP-UHFFFAOYSA-N 0 0 593.652 4.691 50 0 KJAARN O=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000098045738 554133538 /nfs/dbraw/zinc/13/35/38/554133538.db2.gz JRAKPRMXXLZTBP-UHFFFAOYSA-N 0 0 548.659 4.992 50 0 KJAARN COc1cc(Cl)cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c1O ZINC000098045817 554134087 /nfs/dbraw/zinc/13/40/87/554134087.db2.gz BSHQGNNTYMIIEP-UHFFFAOYSA-N 0 0 545.039 4.830 50 0 KJAARN O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccc(COc2ccc(Br)cc2)c1 ZINC000098045894 554134457 /nfs/dbraw/zinc/13/44/57/554134457.db2.gz NOAXCXFVEJRKMA-UHFFFAOYSA-N 0 0 535.442 4.962 50 0 KJAARN O=C(c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000098045982 554134978 /nfs/dbraw/zinc/13/49/78/554134978.db2.gz ZGJDKQRNBWCBOD-UHFFFAOYSA-N 0 0 532.493 4.889 50 0 KJAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 ZINC000098046066 554135554 /nfs/dbraw/zinc/13/55/54/554135554.db2.gz JAGZPWZHPORXDS-SANMLTNESA-N 0 0 595.450 4.750 50 0 KJAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 ZINC000098046067 554135635 /nfs/dbraw/zinc/13/56/35/554135635.db2.gz JAGZPWZHPORXDS-AREMUKBSSA-N 0 0 595.450 4.750 50 0 KJAARN Cc1ccc2[nH]cc(CCNC(=O)CCS(=O)(=O)c3nc(-c4cccs4)cc(C(F)(F)F)n3)c2c1 ZINC000098046167 554136431 /nfs/dbraw/zinc/13/64/31/554136431.db2.gz NXPCEUIBCYPHLP-UHFFFAOYSA-N 0 0 522.574 4.536 50 0 KJAARN COc1ccc2[nH]cc(CCNC(=O)CCCS(=O)(=O)c3nc(-c4cccs4)cc(C(F)(F)F)n3)c2c1 ZINC000098046173 554136419 /nfs/dbraw/zinc/13/64/19/554136419.db2.gz URNIQSIJAMLJNY-UHFFFAOYSA-N 0 0 552.600 4.627 50 0 KJAARN O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000098046179 554136451 /nfs/dbraw/zinc/13/64/51/554136451.db2.gz GERSKSADYGJEOG-UHFFFAOYSA-N 0 0 542.992 4.881 50 0 KJAARN Cn1c(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)nnc1-c1ccc(F)cc1 ZINC000098046237 554137015 /nfs/dbraw/zinc/13/70/15/554137015.db2.gz NAOXINCPFDXUTN-UHFFFAOYSA-N 0 0 525.631 4.815 50 0 KJAARN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c2c(C)nn(C)c2n1 ZINC000098046268 554137299 /nfs/dbraw/zinc/13/72/99/554137299.db2.gz CGOTWENGIKBCSV-UHFFFAOYSA-N 0 0 533.434 4.554 50 0 KJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000098046283 554137349 /nfs/dbraw/zinc/13/73/49/554137349.db2.gz CEPIDQUASGFXBR-UHFFFAOYSA-N 0 0 540.450 4.695 50 0 KJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3)cc2)c(C)c1 ZINC000098046284 554137325 /nfs/dbraw/zinc/13/73/25/554137325.db2.gz REUIETUJKHHQMK-UHFFFAOYSA-N 0 0 548.484 4.759 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1Cl ZINC000098046292 554137663 /nfs/dbraw/zinc/13/76/63/554137663.db2.gz FCVXXTIIZCTSGH-BKUYFWCQSA-N 0 0 518.023 4.942 50 0 KJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1OC ZINC000098046598 554141145 /nfs/dbraw/zinc/14/11/45/554141145.db2.gz YVPFXLXAOMRLTN-IWIPYMOSSA-N 0 0 542.020 4.889 50 0 KJAARN Brc1ccc2c(c1)OCCOCCOCCOCCOCCOc1ccc(Br)cc1OCCOCCOCCO2 ZINC000098046650 554141990 /nfs/dbraw/zinc/14/19/90/554141990.db2.gz GDSDUVNWRXATJU-UHFFFAOYSA-N 0 0 694.410 4.540 50 0 KJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCCN1CCOCC1 ZINC000098046719 554142837 /nfs/dbraw/zinc/14/28/37/554142837.db2.gz ZZKTXZRJBDORBE-OAQYLSRUSA-N 0 0 562.258 4.586 50 0 KJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1CCCN1CCOCC1 ZINC000098046720 554142698 /nfs/dbraw/zinc/14/26/98/554142698.db2.gz ZZKTXZRJBDORBE-NRFANRHFSA-N 0 0 562.258 4.586 50 0 KJAARN CCCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098046729 554143108 /nfs/dbraw/zinc/14/31/08/554143108.db2.gz NEYXMJATAXDYRF-XMMPIXPASA-N 0 0 541.442 4.612 50 0 KJAARN CCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098046730 554143204 /nfs/dbraw/zinc/14/32/04/554143204.db2.gz NEYXMJATAXDYRF-DEOSSOPVSA-N 0 0 541.442 4.612 50 0 KJAARN CSc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098046735 554143112 /nfs/dbraw/zinc/14/31/12/554143112.db2.gz RLGCUCXXZDCYMM-JOCHJYFZSA-N 0 0 529.456 4.545 50 0 KJAARN CSc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098046736 554143186 /nfs/dbraw/zinc/14/31/86/554143186.db2.gz RLGCUCXXZDCYMM-QFIPXVFZSA-N 0 0 529.456 4.545 50 0 KJAARN CCCCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000098046737 554143198 /nfs/dbraw/zinc/14/31/98/554143198.db2.gz VZKOSMJKWMBPSR-HHHXNRCGSA-N 0 0 538.616 4.777 50 0 KJAARN CCCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000098046738 554143120 /nfs/dbraw/zinc/14/31/20/554143120.db2.gz VZKOSMJKWMBPSR-MHZLTWQESA-N 0 0 538.616 4.777 50 0 KJAARN CCCCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098046751 554143173 /nfs/dbraw/zinc/14/31/73/554143173.db2.gz SHGOLWIYJLMYJJ-XMMPIXPASA-N 0 0 541.442 4.612 50 0 KJAARN CCCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000098046752 554143117 /nfs/dbraw/zinc/14/31/17/554143117.db2.gz SHGOLWIYJLMYJJ-DEOSSOPVSA-N 0 0 541.442 4.612 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098046759 554143484 /nfs/dbraw/zinc/14/34/84/554143484.db2.gz XINCXIGPMMWBMZ-HHHXNRCGSA-N 0 0 545.588 4.932 50 0 KJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098046760 554143439 /nfs/dbraw/zinc/14/34/39/554143439.db2.gz XINCXIGPMMWBMZ-MHZLTWQESA-N 0 0 545.588 4.932 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCCOC)=C(C)NC(C)=C2C(=O)OCCOC)c(C)c1 ZINC000098047057 554146009 /nfs/dbraw/zinc/14/60/09/554146009.db2.gz ZQBZXKBWHUXRPC-UHFFFAOYSA-N 0 0 589.689 4.860 50 0 KJAARN CC(C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)N1C(=O)c2ccccc2C1=O ZINC000098047125 554147043 /nfs/dbraw/zinc/14/70/43/554147043.db2.gz GIMUUANRNMTYBY-NDEPHWFRSA-N 0 0 559.688 4.589 50 0 KJAARN CC(C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)N1C(=O)c2ccccc2C1=O ZINC000098047126 554146971 /nfs/dbraw/zinc/14/69/71/554146971.db2.gz GIMUUANRNMTYBY-MUUNZHRXSA-N 0 0 559.688 4.589 50 0 KJAARN CCOc1ccc(CN(C(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000098047878 554156986 /nfs/dbraw/zinc/15/69/86/554156986.db2.gz NPKZPZCHBGPSSI-HXUWFJFHSA-N 0 0 550.077 4.790 50 0 KJAARN CCOc1ccc(CN(C(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000098047879 554157100 /nfs/dbraw/zinc/15/71/00/554157100.db2.gz NPKZPZCHBGPSSI-FQEVSTJZSA-N 0 0 550.077 4.790 50 0 KJAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2)c(C(=O)Nc2ccc(Br)cc2)n1 ZINC000098048164 554160237 /nfs/dbraw/zinc/16/02/37/554160237.db2.gz BNGBALDHXOTWHM-UHFFFAOYSA-N 0 0 541.427 4.695 50 0 KJAARN COc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2Cl)c1 ZINC000098048167 554160255 /nfs/dbraw/zinc/16/02/55/554160255.db2.gz VBEDMOCONYBBHZ-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 KJAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccccc2)c(C(=O)Nc2ccccc2Br)n1 ZINC000098048169 554160282 /nfs/dbraw/zinc/16/02/82/554160282.db2.gz NGQGZKWDHZNQGO-UHFFFAOYSA-N 0 0 541.427 4.695 50 0 KJAARN COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(Cl)cc1 ZINC000098048193 554160536 /nfs/dbraw/zinc/16/05/36/554160536.db2.gz KKTPDKZGPAQLJW-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 KJAARN COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000098048194 554160473 /nfs/dbraw/zinc/16/04/73/554160473.db2.gz ONACQWOZPCVFKH-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 KJAARN COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000098048195 554160509 /nfs/dbraw/zinc/16/05/09/554160509.db2.gz WKUGXLYXSFQGKG-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 KJAARN CCS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccc(OC)cc2)c(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000098048196 554160488 /nfs/dbraw/zinc/16/04/88/554160488.db2.gz ZYIRJZXMDDMPMY-UHFFFAOYSA-N 0 0 534.638 4.948 50 0 KJAARN COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccc(F)cc2)cc1Cl ZINC000098048208 554160551 /nfs/dbraw/zinc/16/05/51/554160551.db2.gz PTISFBXXDMHVOJ-UHFFFAOYSA-N 0 0 544.992 4.733 50 0 KJAARN COc1ccccc1CN(Cc1ccco1)c1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000098048212 554160453 /nfs/dbraw/zinc/16/04/53/554160453.db2.gz QMBCQXXCYGOWEB-UHFFFAOYSA-N 0 0 541.029 4.903 50 0 KJAARN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCSc1ccccn1 ZINC000098048230 554160719 /nfs/dbraw/zinc/16/07/19/554160719.db2.gz ZEEVRWJEKIJMNP-UHFFFAOYSA-N 0 0 529.993 4.858 50 0 KJAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)CSc3nnc(C)s3)c2cc1OC ZINC000098048350 554161229 /nfs/dbraw/zinc/16/12/29/554161229.db2.gz UDQIKRXJCGFSQE-UHFFFAOYSA-N 0 0 526.640 4.751 50 0 KJAARN CC(C)N(C(=O)CO[C@H]1[C@@H]([C@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@@H]21)c1ccccc1 ZINC000098048396 554161601 /nfs/dbraw/zinc/16/16/01/554161601.db2.gz DAHHAWNSAVMYJT-UIKHAHSZSA-N 0 0 515.647 4.690 50 0 biogenic KJAARN O=C(COC(=O)c1cc(C(=O)OCC(=O)c2ccccc2)cc(C(=O)OCC(=O)c2ccccc2)c1)c1ccccc1 ZINC000098048833 554162099 /nfs/dbraw/zinc/16/20/99/554162099.db2.gz IUEBEYBNCHLBDQ-UHFFFAOYSA-N 0 0 564.546 4.806 50 0 KJAARN O=C(CSc1nncc(=O)n1CC(=O)Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl ZINC000098048999 554162325 /nfs/dbraw/zinc/16/23/25/554162325.db2.gz RXPPAMBIBKOWBE-UHFFFAOYSA-N 0 0 533.224 4.621 50 0 KJAARN COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000098049012 554162310 /nfs/dbraw/zinc/16/23/10/554162310.db2.gz IZFUBDMBGITUSG-UHFFFAOYSA-N 0 0 541.029 4.903 50 0 KJAARN COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000098049013 554162742 /nfs/dbraw/zinc/16/27/42/554162742.db2.gz ZFMVPVQNTVJZEY-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 KJAARN COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccccc2Cl)cc1 ZINC000098049016 554162729 /nfs/dbraw/zinc/16/27/29/554162729.db2.gz QPONWJLAARIQIK-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 KJAARN COc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000098049020 554162751 /nfs/dbraw/zinc/16/27/51/554162751.db2.gz KVFIARYRSRIYOS-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 KJAARN CS(=O)(=O)c1ncc(N(Cc2ccco2)Cc2ccco2)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000098049021 554162711 /nfs/dbraw/zinc/16/27/11/554162711.db2.gz CCPJDXPMJVNPTK-UHFFFAOYSA-N 0 0 520.489 4.544 50 0 KJAARN COc1cccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2cccc(Cl)c2)c1 ZINC000098049022 554162740 /nfs/dbraw/zinc/16/27/40/554162740.db2.gz XHMRYQICXQMRGP-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 KJAARN COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2cccc(Cl)c2)cc1 ZINC000098049039 554162727 /nfs/dbraw/zinc/16/27/27/554162727.db2.gz UMJCBHBTVCGUIH-UHFFFAOYSA-N 0 0 527.002 4.594 50 0 KJAARN COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000098049040 554162735 /nfs/dbraw/zinc/16/27/35/554162735.db2.gz QLSUWNIOBQHGHF-UHFFFAOYSA-N 0 0 550.637 4.566 50 0 KJAARN CC(C)C[C@H](NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000098049060 554162994 /nfs/dbraw/zinc/16/29/94/554162994.db2.gz KUUKSOVURMHBAB-RPBOFIJWSA-N 0 0 540.657 4.678 50 0 KJAARN CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000098049061 554162941 /nfs/dbraw/zinc/16/29/41/554162941.db2.gz KUUKSOVURMHBAB-JWQCQUIFSA-N 0 0 540.657 4.678 50 0 KJAARN CC(C)C[C@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000098049062 554162977 /nfs/dbraw/zinc/16/29/77/554162977.db2.gz KUUKSOVURMHBAB-DQEYMECFSA-N 0 0 540.657 4.678 50 0 KJAARN CC(C)C[C@@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000098049063 554162981 /nfs/dbraw/zinc/16/29/81/554162981.db2.gz KUUKSOVURMHBAB-LOSJGSFVSA-N 0 0 540.657 4.678 50 0 KJAARN Cc1c(C(=O)Nc2c(C)cc(Br)cc2C)sc2ncn(CC(=O)N3CCC[C@H](C)C3)c(=O)c12 ZINC000098049089 554162917 /nfs/dbraw/zinc/16/29/17/554162917.db2.gz CSIABTIKZBSZPI-ZDUSSCGKSA-N 0 0 531.476 4.657 50 0 KJAARN Cc1c(C(=O)Nc2c(C)cc(Br)cc2C)sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c12 ZINC000098049090 554162949 /nfs/dbraw/zinc/16/29/49/554162949.db2.gz CSIABTIKZBSZPI-CYBMUJFWSA-N 0 0 531.476 4.657 50 0 KJAARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000098049094 554163008 /nfs/dbraw/zinc/16/30/08/554163008.db2.gz JDFWEDHYKORNAN-NRFANRHFSA-N 0 0 536.581 4.738 50 0 KJAARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000098049095 554162990 /nfs/dbraw/zinc/16/29/90/554162990.db2.gz JDFWEDHYKORNAN-OAQYLSRUSA-N 0 0 536.581 4.738 50 0 KJAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4C(C)=O)OCO5)c3n2)cc1OC ZINC000098049127 554163285 /nfs/dbraw/zinc/16/32/85/554163285.db2.gz NFJMVDLJSNJJFD-UHFFFAOYSA-N 0 0 528.443 4.616 50 0 KJAARN CCOC(=O)CSc1nc2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2c(=O)n1CCc1ccccc1 ZINC000098049139 554163324 /nfs/dbraw/zinc/16/33/24/554163324.db2.gz AVXAZNOXAWQJJR-UHFFFAOYSA-N 0 0 547.633 4.564 50 0 KJAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(C)cc3)n2C)c1 ZINC000098049147 554163491 /nfs/dbraw/zinc/16/34/91/554163491.db2.gz XCYGLJZZDQFDKE-QHCPKHFHSA-N 0 0 560.705 4.594 50 0 KJAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(C)cc3)n2C)c1 ZINC000098049148 554163580 /nfs/dbraw/zinc/16/35/80/554163580.db2.gz XCYGLJZZDQFDKE-HSZRJFAPSA-N 0 0 560.705 4.594 50 0 KJAARN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 ZINC000098049155 554163571 /nfs/dbraw/zinc/16/35/71/554163571.db2.gz QEHPLJYTZNPWBA-NRFANRHFSA-N 0 0 597.470 4.710 50 0 KJAARN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000098049156 554163496 /nfs/dbraw/zinc/16/34/96/554163496.db2.gz QEHPLJYTZNPWBA-OAQYLSRUSA-N 0 0 597.470 4.710 50 0 KJAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000098049159 554163565 /nfs/dbraw/zinc/16/35/65/554163565.db2.gz JGUNQBBJULLZTC-NRFANRHFSA-N 0 0 552.632 4.555 50 0 KJAARN Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000098049160 554163596 /nfs/dbraw/zinc/16/35/96/554163596.db2.gz JGUNQBBJULLZTC-OAQYLSRUSA-N 0 0 552.632 4.555 50 0 KJAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(C)cc3)n2C)c1 ZINC000098049165 554163508 /nfs/dbraw/zinc/16/35/08/554163508.db2.gz KBBGELXLQDSOAJ-DEOSSOPVSA-N 0 0 590.731 4.602 50 0 KJAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(C)cc3)n2C)c1 ZINC000098049166 554163591 /nfs/dbraw/zinc/16/35/91/554163591.db2.gz KBBGELXLQDSOAJ-XMMPIXPASA-N 0 0 590.731 4.602 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(C)c4)n3C)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000098049170 554163503 /nfs/dbraw/zinc/16/35/03/554163503.db2.gz PHBXKSYIRVWDCE-SANMLTNESA-N 0 0 572.666 4.671 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(C)c4)n3C)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000098049171 554163615 /nfs/dbraw/zinc/16/36/15/554163615.db2.gz PHBXKSYIRVWDCE-AREMUKBSSA-N 0 0 572.666 4.671 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(C)c4)n3C)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000098049185 554163894 /nfs/dbraw/zinc/16/38/94/554163894.db2.gz MDXJDSXIQDEQMU-MHZLTWQESA-N 0 0 584.702 4.541 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(C)c4)n3C)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000098049186 554163883 /nfs/dbraw/zinc/16/38/83/554163883.db2.gz MDXJDSXIQDEQMU-HHHXNRCGSA-N 0 0 584.702 4.541 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccccc4OC)n3C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000098049189 554163896 /nfs/dbraw/zinc/16/38/96/554163896.db2.gz LLNXYXQKLRENRO-SANMLTNESA-N 0 0 584.702 4.541 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccccc4OC)n3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000098049190 554163875 /nfs/dbraw/zinc/16/38/75/554163875.db2.gz LLNXYXQKLRENRO-AREMUKBSSA-N 0 0 584.702 4.541 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1 ZINC000098049196 554163812 /nfs/dbraw/zinc/16/38/12/554163812.db2.gz ATUKXECLQAKJMJ-QFIPXVFZSA-N 0 0 609.506 4.579 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1 ZINC000098049197 554163816 /nfs/dbraw/zinc/16/38/16/554163816.db2.gz ATUKXECLQAKJMJ-JOCHJYFZSA-N 0 0 609.506 4.579 50 0 KJAARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c1OC ZINC000098049198 554163898 /nfs/dbraw/zinc/16/38/98/554163898.db2.gz UQPNHXSTXOCVAX-QFIPXVFZSA-N 0 0 590.731 4.602 50 0 KJAARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c1OC ZINC000098049199 554163872 /nfs/dbraw/zinc/16/38/72/554163872.db2.gz UQPNHXSTXOCVAX-JOCHJYFZSA-N 0 0 590.731 4.602 50 0 KJAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(C)cc2)n1C ZINC000098049202 554163850 /nfs/dbraw/zinc/16/38/50/554163850.db2.gz SGLBWPUQQULTBN-QFIPXVFZSA-N 0 0 560.705 4.594 50 0 KJAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(C)cc2)n1C ZINC000098049203 554163866 /nfs/dbraw/zinc/16/38/66/554163866.db2.gz SGLBWPUQQULTBN-JOCHJYFZSA-N 0 0 560.705 4.594 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(C)cc3)n2C)cc1 ZINC000098049204 554164134 /nfs/dbraw/zinc/16/41/34/554164134.db2.gz VAMONSUQLWKTJX-QHCPKHFHSA-N 0 0 560.705 4.594 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(C)cc3)n2C)cc1 ZINC000098049205 554164167 /nfs/dbraw/zinc/16/41/67/554164167.db2.gz VAMONSUQLWKTJX-HSZRJFAPSA-N 0 0 560.705 4.594 50 0 KJAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1 ZINC000098049209 554164113 /nfs/dbraw/zinc/16/41/13/554164113.db2.gz VFKKWPSRFFOSIU-QFIPXVFZSA-N 0 0 593.507 4.879 50 0 KJAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1 ZINC000098049210 554164147 /nfs/dbraw/zinc/16/41/47/554164147.db2.gz VFKKWPSRFFOSIU-JOCHJYFZSA-N 0 0 593.507 4.879 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccccc4F)n3C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000098049213 554164073 /nfs/dbraw/zinc/16/40/73/554164073.db2.gz FDQYKPSBQHQCTH-SANMLTNESA-N 0 0 572.666 4.671 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccccc4F)n3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000098049214 554164083 /nfs/dbraw/zinc/16/40/83/554164083.db2.gz FDQYKPSBQHQCTH-AREMUKBSSA-N 0 0 572.666 4.671 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(F)c4)n3C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000098049215 554164098 /nfs/dbraw/zinc/16/40/98/554164098.db2.gz XELWXTMHOAWSSY-SANMLTNESA-N 0 0 572.666 4.671 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(F)c4)n3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000098049216 554164161 /nfs/dbraw/zinc/16/41/61/554164161.db2.gz XELWXTMHOAWSSY-AREMUKBSSA-N 0 0 572.666 4.671 50 0 KJAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)cc1 ZINC000098049223 554164129 /nfs/dbraw/zinc/16/41/29/554164129.db2.gz CUVQKRADLVFISJ-QFIPXVFZSA-N 0 0 548.669 4.724 50 0 KJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)cc1 ZINC000098049224 554164159 /nfs/dbraw/zinc/16/41/59/554164159.db2.gz CUVQKRADLVFISJ-JOCHJYFZSA-N 0 0 548.669 4.724 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccs4)n3C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000098049233 554164139 /nfs/dbraw/zinc/16/41/39/554164139.db2.gz OGDPUDRVSRDAPI-QHCPKHFHSA-N 0 0 560.705 4.594 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccs4)n3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000098049234 554164376 /nfs/dbraw/zinc/16/43/76/554164376.db2.gz OGDPUDRVSRDAPI-HSZRJFAPSA-N 0 0 560.705 4.594 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccccc4F)n3C)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000098049235 554164373 /nfs/dbraw/zinc/16/43/73/554164373.db2.gz KCEQDAXYVXLTSF-VWLOTQADSA-N 0 0 576.629 4.502 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccccc4F)n3C)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000098049236 554164365 /nfs/dbraw/zinc/16/43/65/554164365.db2.gz KCEQDAXYVXLTSF-RUZDIDTESA-N 0 0 576.629 4.502 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(OC)c4)n3C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000098049239 554164387 /nfs/dbraw/zinc/16/43/87/554164387.db2.gz ZSFBSMMYQVBPSC-MHZLTWQESA-N 0 0 584.702 4.541 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(OC)c4)n3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000098049240 554164362 /nfs/dbraw/zinc/16/43/62/554164362.db2.gz ZSFBSMMYQVBPSC-HHHXNRCGSA-N 0 0 584.702 4.541 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2ccc3nc(-c4ccc(OC)c(OC)c4)c(-c4ccc(OC)c(OC)c4)nc3c2)CC1 ZINC000098049248 554164372 /nfs/dbraw/zinc/16/43/72/554164372.db2.gz IOPTTZWPDXKOKT-UHFFFAOYSA-N 0 0 586.645 4.913 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098049254 554164359 /nfs/dbraw/zinc/16/43/59/554164359.db2.gz WAGZHMDLKBKJQC-UHFFFAOYSA-N 0 0 547.633 4.564 50 0 KJAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000098049259 554164395 /nfs/dbraw/zinc/16/43/95/554164395.db2.gz BFVIXUQRLDLFET-UHFFFAOYSA-N 0 0 544.555 4.836 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccccc1Cl ZINC000098049266 554164728 /nfs/dbraw/zinc/16/47/28/554164728.db2.gz XNGCZQAKLHXXRL-UHFFFAOYSA-N 0 0 562.095 4.520 50 0 KJAARN COc1ccc(CCNC(=O)CCCn2c(SCC(=O)Nc3ccc(C)cc3)nc3ccccc3c2=O)cc1OC ZINC000098049267 554164661 /nfs/dbraw/zinc/16/46/61/554164661.db2.gz FTIHKWZZWQEXTG-UHFFFAOYSA-N 0 0 574.703 4.592 50 0 KJAARN COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2cccc(Cl)c2)c1 ZINC000098049289 554164659 /nfs/dbraw/zinc/16/46/59/554164659.db2.gz ORRUXCBVDNLABT-UHFFFAOYSA-N 0 0 551.068 4.886 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000098049292 554164649 /nfs/dbraw/zinc/16/46/49/554164649.db2.gz DSWNYDMOGPHVRT-UHFFFAOYSA-N 0 0 555.704 4.565 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCc1cccc(Cl)c1 ZINC000098049302 554164914 /nfs/dbraw/zinc/16/49/14/554164914.db2.gz SFTXDEXNPUXSBA-UHFFFAOYSA-N 0 0 551.068 4.886 50 0 KJAARN COc1ccc(CCNC(=O)CCCn2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1OC ZINC000098049313 554164900 /nfs/dbraw/zinc/16/49/00/554164900.db2.gz RSIMZAGUTNSRHG-UHFFFAOYSA-N 0 0 545.661 4.528 50 0 KJAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000098049335 554165211 /nfs/dbraw/zinc/16/52/11/554165211.db2.gz LDXWVNMMLLENEL-UHFFFAOYSA-N 0 0 585.730 4.655 50 0 KJAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000098049352 554165198 /nfs/dbraw/zinc/16/51/98/554165198.db2.gz SRHAJYTVYSIAET-UHFFFAOYSA-N 0 0 575.687 4.666 50 0 KJAARN CC(C)OCCCNC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1Cl)n(Cc1ccco1)c2=O ZINC000098049356 554165182 /nfs/dbraw/zinc/16/51/82/554165182.db2.gz ADIZDTFTUJVXIF-UHFFFAOYSA-N 0 0 569.083 4.967 50 0 KJAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)c1ccc(Br)cc1 ZINC000098049360 554165390 /nfs/dbraw/zinc/16/53/90/554165390.db2.gz YYAAJOMWGYENJY-FQEVSTJZSA-N 0 0 582.476 4.684 50 0 KJAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)c1ccc(Br)cc1 ZINC000098049361 554165431 /nfs/dbraw/zinc/16/54/31/554165431.db2.gz YYAAJOMWGYENJY-HXUWFJFHSA-N 0 0 582.476 4.684 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@@H]2CCCO2)CC1)Nc1ccccc1Cl ZINC000098049362 554165443 /nfs/dbraw/zinc/16/54/43/554165443.db2.gz ZMPWKTDSTCULGU-CBNMVNINSA-N 0 0 569.127 4.882 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@H]2CCCO2)CC1)Nc1ccccc1Cl ZINC000098049363 554165445 /nfs/dbraw/zinc/16/54/45/554165445.db2.gz ZMPWKTDSTCULGU-XVAXZDLZSA-N 0 0 569.127 4.882 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3cc(C(=O)NCCCOC(C)C)ccc3c(=O)n2Cc2ccco2)cc1 ZINC000098049375 554165433 /nfs/dbraw/zinc/16/54/33/554165433.db2.gz SEDHSNDPEFQBFC-UHFFFAOYSA-N 0 0 548.665 4.622 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@@H]4CCCO4)ccc3c(=O)n2Cc2ccco2)cc1Cl ZINC000098049404 554165681 /nfs/dbraw/zinc/16/56/81/554165681.db2.gz CFLXCQDPCRTSCK-FQEVSTJZSA-N 0 0 567.067 4.639 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@H]4CCCO4)ccc3c(=O)n2Cc2ccco2)cc1Cl ZINC000098049405 554165730 /nfs/dbraw/zinc/16/57/30/554165730.db2.gz CFLXCQDPCRTSCK-HXUWFJFHSA-N 0 0 567.067 4.639 50 0 KJAARN CC[C@H](Sc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccco2)CC1)C(=O)NCc1ccco1 ZINC000098049414 554165628 /nfs/dbraw/zinc/16/56/28/554165628.db2.gz BRKZVQBNZCCPOE-NSOLWDIASA-N 0 0 562.692 4.892 50 0 KJAARN CC[C@@H](Sc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccco2)CC1)C(=O)NCc1ccco1 ZINC000098049415 554165724 /nfs/dbraw/zinc/16/57/24/554165724.db2.gz BRKZVQBNZCCPOE-VGMBQNGWSA-N 0 0 562.692 4.892 50 0 KJAARN COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3nc2SCC(=O)Nc2ccccc2Cl)cc1OC ZINC000098049420 554165968 /nfs/dbraw/zinc/16/59/68/554165968.db2.gz KNBCECFWMFAKMR-UHFFFAOYSA-N 0 0 581.094 4.547 50 0 KJAARN CCOc1ccc(NC(=O)CSc2nc3cc(C(=O)NCc4ccco4)ccc3c(=O)n2Cc2ccco2)cc1 ZINC000098049426 554165951 /nfs/dbraw/zinc/16/59/51/554165951.db2.gz JAKOSQHWKLIQKN-UHFFFAOYSA-N 0 0 558.616 4.690 50 0 KJAARN CC(C)OCCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(F)cc1)n(Cc1ccco1)c2=O ZINC000098049430 554165964 /nfs/dbraw/zinc/16/59/64/554165964.db2.gz DDAXALMPBWSFLI-UHFFFAOYSA-N 0 0 537.613 4.697 50 0 KJAARN O=C(CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1Cc1ccco1)NCCC1=CCCCC1 ZINC000098049438 554165974 /nfs/dbraw/zinc/16/59/74/554165974.db2.gz AHAIEVZIVWENMK-UHFFFAOYSA-N 0 0 546.649 4.660 50 0 KJAARN O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000098049458 554166404 /nfs/dbraw/zinc/16/64/04/554166404.db2.gz YEGZSJGQSSSHLC-UHFFFAOYSA-N 0 0 578.964 4.584 50 0 KJAARN 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CCCCn1c(CNC(=O)c2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000098049648 554168049 /nfs/dbraw/zinc/16/80/49/554168049.db2.gz ZVAWIBZDBPJTSC-KRWDZBQOSA-N 0 0 619.741 4.990 50 0 KJAARN CCCCn1c(CNC(=O)c2ccccc2F)nnc1S[C@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000098049649 554168033 /nfs/dbraw/zinc/16/80/33/554168033.db2.gz ZVAWIBZDBPJTSC-QGZVFWFLSA-N 0 0 619.741 4.990 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccccc3C(F)(F)F)n1C)CCC2 ZINC000098049655 554168044 /nfs/dbraw/zinc/16/80/44/554168044.db2.gz CGEOIVIQGMNODX-CYBMUJFWSA-N 0 0 581.642 4.610 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccccc3C(F)(F)F)n1C)CCC2 ZINC000098049656 554168013 /nfs/dbraw/zinc/16/80/13/554168013.db2.gz CGEOIVIQGMNODX-ZDUSSCGKSA-N 0 0 581.642 4.610 50 0 KJAARN O=C(Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 ZINC000098049674 554168255 /nfs/dbraw/zinc/16/82/55/554168255.db2.gz NECNUYSGUMVZQO-SQHAQQRYSA-N 0 0 591.687 4.826 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2cc(C(=O)NCc3cccs3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000098049675 554168232 /nfs/dbraw/zinc/16/82/32/554168232.db2.gz TYIUVLXHOYJCAU-OFNKIYASSA-N 0 0 584.698 4.733 50 0 KJAARN COC(=O)c1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(F)cc2)c1 ZINC000098049678 554168205 /nfs/dbraw/zinc/16/82/05/554168205.db2.gz YMOZIIBHYBZJLO-OFNKIYASSA-N 0 0 580.616 4.902 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000098049699 554168250 /nfs/dbraw/zinc/16/82/50/554168250.db2.gz WWVBZJUBCYEMJK-CTNGQTDRSA-N 0 0 606.651 4.812 50 0 KJAARN CN1CCN(C(=O)c2ccc(NCc3ccc(F)cc3)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000098049703 554168212 /nfs/dbraw/zinc/16/82/12/554168212.db2.gz VUXGWZGFVNFJDW-UHFFFAOYSA-N 0 0 550.578 4.645 50 0 KJAARN COCCNC(=O)c1ccc(NCc2ccccc2OC)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000098049706 554168194 /nfs/dbraw/zinc/16/81/94/554168194.db2.gz HNKOKLSEHFJGKA-UHFFFAOYSA-N 0 0 537.560 4.503 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c(S(=O)(=O)Nc3cccc(OC)c3)c2)CC1 ZINC000098049711 554168586 /nfs/dbraw/zinc/16/85/86/554168586.db2.gz NFQUPPISPHYMHS-UHFFFAOYSA-N 0 0 587.098 4.676 50 0 KJAARN CCN(C)C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)ccc2Br)c1 ZINC000098049714 554168576 /nfs/dbraw/zinc/16/85/76/554168576.db2.gz MSMSPSIJCOXVCL-QUCCMNQESA-N 0 0 579.495 4.587 50 0 KJAARN COc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2NCCc2ccc(OC)c(OC)c2)c1 ZINC000098049716 554168569 /nfs/dbraw/zinc/16/85/69/554168569.db2.gz QJXWUQPNBDEMDK-UHFFFAOYSA-N 0 0 553.681 4.794 50 0 biogenic KJAARN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2NCCc2ccc(Cl)cc2)cc1 ZINC000098049717 554168518 /nfs/dbraw/zinc/16/85/18/554168518.db2.gz NCQPKEMNJYJJBN-UHFFFAOYSA-N 0 0 557.116 4.582 50 0 KJAARN O=C(NCCCN1CCCC1=O)c1ccc(NCc2ccc(F)cc2)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000098049720 554168513 /nfs/dbraw/zinc/16/85/13/554168513.db2.gz HLENJSSPFBLSDB-UHFFFAOYSA-N 0 0 592.615 5.000 50 0 KJAARN O=C(NCc1cccs1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000098049722 554168573 /nfs/dbraw/zinc/16/85/73/554168573.db2.gz AJROFCNREDQKCV-OFNKIYASSA-N 0 0 592.677 4.822 50 0 KJAARN CC(=O)N1CCN(C(=O)c2ccc(NCc3ccc(F)cc3)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000098049723 554168495 /nfs/dbraw/zinc/16/84/95/554168495.db2.gz KBPYIQAOGMXISP-UHFFFAOYSA-N 0 0 578.588 4.562 50 0 KJAARN COc1ccccc1CNc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000098049734 554168577 /nfs/dbraw/zinc/16/85/77/554168577.db2.gz WBRJUODQNQTGDC-UHFFFAOYSA-N 0 0 562.614 4.515 50 0 KJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1F ZINC000098049742 554168752 /nfs/dbraw/zinc/16/87/52/554168752.db2.gz MPHSMWCELFGQLR-UHFFFAOYSA-N 0 0 566.438 4.620 50 0 KJAARN O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCCCC1 ZINC000098049748 554168756 /nfs/dbraw/zinc/16/87/56/554168756.db2.gz ULSCBSASZJYCEH-GGAORHGYSA-N 0 0 581.138 4.942 50 0 KJAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3Cl)c2)CC1 ZINC000098049754 554168778 /nfs/dbraw/zinc/16/87/78/554168778.db2.gz NJMLJPCHNPECRZ-UHFFFAOYSA-N 0 0 538.428 4.904 50 0 KJAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cc(Cl)ccc3Cl)c2)CC1 ZINC000098049756 554168814 /nfs/dbraw/zinc/16/88/14/554168814.db2.gz IOCYNUYUVRYQQI-UHFFFAOYSA-N 0 0 538.428 4.904 50 0 KJAARN COCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1Sc1ccc(Br)cc1 ZINC000098049784 554169133 /nfs/dbraw/zinc/16/91/33/554169133.db2.gz KRMBKYDQAUXUKI-CALCHBBNSA-N 0 0 541.533 4.643 50 0 KJAARN COCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Sc1ccc(Br)cc1 ZINC000098049785 554169099 /nfs/dbraw/zinc/16/90/99/554169099.db2.gz KRMBKYDQAUXUKI-IRXDYDNUSA-N 0 0 541.533 4.643 50 0 KJAARN COCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Sc1ccc(Br)cc1 ZINC000098049786 554169106 /nfs/dbraw/zinc/16/91/06/554169106.db2.gz KRMBKYDQAUXUKI-IAGOWNOFSA-N 0 0 541.533 4.643 50 0 KJAARN CCOC(=O)c1ccc(-n2c3nc(SCC(=O)NC4CCCCC4)n(C[C@@H]4CCCO4)c(=O)c3sc2=S)cc1 ZINC000098050162 554172598 /nfs/dbraw/zinc/17/25/98/554172598.db2.gz JFIVKMFSQGZETL-FQEVSTJZSA-N 0 0 588.777 4.875 50 0 KJAARN CCOC(=O)c1ccc(-n2c3nc(SCC(=O)NC4CCCCC4)n(C[C@H]4CCCO4)c(=O)c3sc2=S)cc1 ZINC000098050163 554172591 /nfs/dbraw/zinc/17/25/91/554172591.db2.gz JFIVKMFSQGZETL-HXUWFJFHSA-N 0 0 588.777 4.875 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000098050177 554172886 /nfs/dbraw/zinc/17/28/86/554172886.db2.gz VTTHETDWGXOJMD-LDLOPFEMSA-N 0 0 549.624 4.504 50 0 KJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000098050178 554172957 /nfs/dbraw/zinc/17/29/57/554172957.db2.gz VTTHETDWGXOJMD-KDXMTYKHSA-N 0 0 549.624 4.504 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccccc2)CC1)Nc1nccs1 ZINC000098050183 554172890 /nfs/dbraw/zinc/17/28/90/554172890.db2.gz ZYGUPMSGJGSNRF-UHFFFAOYSA-N 0 0 547.706 4.707 50 0 KJAARN COc1ccccc1N(CCN1C(=O)c2cccc3cccc(c32)C1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000098050192 554172926 /nfs/dbraw/zinc/17/29/26/554172926.db2.gz RGWDOPSWOCUQLS-UHFFFAOYSA-N 0 0 540.572 4.817 50 0 KJAARN COc1cc(-c2nc3ccccc3c(=O)n2NC(=O)c2cc(Br)ccc2Cl)cc(OC)c1OC ZINC000098050200 554172893 /nfs/dbraw/zinc/17/28/93/554172893.db2.gz DLOXTOUGENVZHX-UHFFFAOYSA-N 0 0 544.789 4.889 50 0 KJAARN O=C(Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1cc2cc(Br)ccc2oc1=O ZINC000098050205 554172941 /nfs/dbraw/zinc/17/29/41/554172941.db2.gz JDVWBFYIECNNLQ-UHFFFAOYSA-N 0 0 522.742 4.970 50 0 KJAARN O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000098050206 554172900 /nfs/dbraw/zinc/17/29/00/554172900.db2.gz JZEQGTJMRZCQRR-UHFFFAOYSA-N 0 0 529.599 4.920 50 0 KJAARN Cc1c(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)c2oc1-c1ccccc1 ZINC000098050263 554173340 /nfs/dbraw/zinc/17/33/40/554173340.db2.gz KTAQGIYMKUIORN-UHFFFAOYSA-N 0 0 529.039 4.630 50 0 KJAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000098050270 554173225 /nfs/dbraw/zinc/17/32/25/554173225.db2.gz SGWNSLSYFGONSH-UHFFFAOYSA-N 0 0 547.946 4.943 50 0 KJAARN O=C(Nc1ccccc1I)c1cc(Br)ccc1I ZINC000098050274 554173273 /nfs/dbraw/zinc/17/32/73/554173273.db2.gz LBRWLNMUVAOGOU-UHFFFAOYSA-N 0 0 527.925 4.911 50 0 KJAARN CCCC(=O)N1c2cc(OCC)ccc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C ZINC000098050448 554174733 /nfs/dbraw/zinc/17/47/33/554174733.db2.gz GRWWQKJJJPWEBI-UHFFFAOYSA-N 0 0 663.792 4.803 50 0 KJAARN C[C@]1(C(=O)NCc2ccc(CNC(=O)[C@]3(C)CC3(Br)Br)cc2)CC1(Br)Br ZINC000098050478 554174987 /nfs/dbraw/zinc/17/49/87/554174987.db2.gz WLXFCRMXFBWFGC-IYBDPMFKSA-N 0 0 615.986 4.711 50 0 KJAARN C[C@@]1(C(=O)NCc2ccc(CNC(=O)[C@]3(C)CC3(Br)Br)cc2)CC1(Br)Br ZINC000098050479 554174967 /nfs/dbraw/zinc/17/49/67/554174967.db2.gz WLXFCRMXFBWFGC-HOTGVXAUSA-N 0 0 615.986 4.711 50 0 KJAARN C[C@]1(C(=O)NCc2ccc(CNC(=O)[C@@]3(C)CC3(Br)Br)cc2)CC1(Br)Br ZINC000098050480 554174934 /nfs/dbraw/zinc/17/49/34/554174934.db2.gz WLXFCRMXFBWFGC-HZPDHXFCSA-N 0 0 615.986 4.711 50 0 KJAARN O=C1CCC(=O)N1c1ccc(C2(c3ccc(N4C(=O)CCC4=O)cc3)c3ccccc3C(=O)c3ccccc32)cc1 ZINC000098050501 554175022 /nfs/dbraw/zinc/17/50/22/554175022.db2.gz JFNISNSCVAJDCB-UHFFFAOYSA-N 0 0 540.575 4.921 50 0 KJAARN O=C(Nc1cccc(NC(=O)c2cc(I)ccc2I)c1)c1ccco1 ZINC000098050515 554175259 /nfs/dbraw/zinc/17/52/59/554175259.db2.gz YLCQWSNGGBAPPQ-UHFFFAOYSA-N 0 0 558.113 4.993 50 0 KJAARN COCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCc1cc(=O)n2cc(Br)ccc2n1 ZINC000098050549 554175235 /nfs/dbraw/zinc/17/52/35/554175235.db2.gz DMRNLMDSIKXVDE-UHFFFAOYSA-N 0 0 573.469 4.973 50 0 KJAARN CCn1c(CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000098050556 554175273 /nfs/dbraw/zinc/17/52/73/554175273.db2.gz NJKMEYFMNZDYQE-UHFFFAOYSA-N 0 0 536.683 4.807 50 0 KJAARN CCn1c(CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000098050565 554175531 /nfs/dbraw/zinc/17/55/31/554175531.db2.gz IXYYCKFYMIVMDU-UHFFFAOYSA-N 0 0 536.683 4.807 50 0 KJAARN O=C(NCCCn1ccnc1)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Br ZINC000098050626 554175534 /nfs/dbraw/zinc/17/55/34/554175534.db2.gz ISAFKVFJBIHVLU-UHFFFAOYSA-N 0 0 572.183 4.957 50 0 KJAARN CN(C)S(=O)(=O)c1cccc(COC(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 ZINC000098053824 1067142031 /nfs/dbraw/zinc/14/20/31/1067142031.db2.gz IPMDTFTYBMEDIL-MSUUIHNZSA-N 0 0 501.608 4.605 50 0 KJAARN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)C1=O ZINC000098086305 554176612 /nfs/dbraw/zinc/17/66/12/554176612.db2.gz PMQZZFPQUVOJCY-OEAKJJBVSA-N 0 0 526.611 4.709 50 0 KJAARN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1=O ZINC000098086359 554176587 /nfs/dbraw/zinc/17/65/87/554176587.db2.gz VYKWHIJZKLDWHU-DEDYPNTBSA-N 0 0 502.976 4.737 50 0 KJAARN CCOc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)cc1OCC ZINC000098211466 554177082 /nfs/dbraw/zinc/17/70/82/554177082.db2.gz DDHOXYQNANKGQU-UHFFFAOYSA-N 0 0 508.550 4.509 50 0 KJAARN Nc1nc2c(ncn2[C@H]2C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)[C@@H]2O)c(OCc2ccccc2)n1 ZINC000100008388 554179803 /nfs/dbraw/zinc/17/98/03/554179803.db2.gz SYPCZZWUNIHLBU-COROXYKFSA-N 0 0 551.647 4.712 50 0 KJAARN Brc1nc(I)cc(I)c1OCc1ccccc1 ZINC000100009761 554180642 /nfs/dbraw/zinc/18/06/42/554180642.db2.gz JAWFFRMFLICJDV-UHFFFAOYSA-N 0 0 515.914 4.632 50 0 KJAARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(C)c(I)c2)cc1I ZINC000100013247 554181037 /nfs/dbraw/zinc/18/10/37/554181037.db2.gz ZWCGBBXDIKXGRY-BGYRXZFFSA-N 0 0 602.254 4.984 50 0 KJAARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C)c(I)c2)cc1I ZINC000100013250 554180986 /nfs/dbraw/zinc/18/09/86/554180986.db2.gz ZWCGBBXDIKXGRY-WOJBJXKFSA-N 0 0 602.254 4.984 50 0 KJAARN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)CC1 ZINC000100019227 554182000 /nfs/dbraw/zinc/18/20/00/554182000.db2.gz LZUWAUKQLLPMHW-UHFFFAOYSA-N 0 0 546.693 4.606 50 0 KJAARN O=C1OC2(c3ccc(I)c(I)c31)c1ccc(O)cc1Oc1cc(O)ccc12 ZINC000100021650 554181871 /nfs/dbraw/zinc/18/18/71/554181871.db2.gz RUEQYKGDINYYHI-UHFFFAOYSA-N 0 0 584.103 4.875 50 0 KJAARN Cc1ccccc1-n1c(/C=C2/c3ccccc3N(C)C2=O)nc2ccc(I)cc2c1=O ZINC000100022644 554182132 /nfs/dbraw/zinc/18/21/32/554182132.db2.gz MKFSHPPARHUNPS-JXAWBTAJSA-N 0 0 519.342 4.816 50 0 KJAARN Cc1ccccc1-n1c(/C=C2\c3ccccc3N(C)C2=O)nc2ccc(I)cc2c1=O ZINC000100022647 554182140 /nfs/dbraw/zinc/18/21/40/554182140.db2.gz MKFSHPPARHUNPS-NBVRZTHBSA-N 0 0 519.342 4.816 50 0 KJAARN Cc1cccc(-n2c(/C=C3/c4ccccc4N(C)C3=O)nc3ccc(I)cc3c2=O)c1 ZINC000100022702 554182596 /nfs/dbraw/zinc/18/25/96/554182596.db2.gz ZILWZJUYISVJJL-RGEXLXHISA-N 0 0 519.342 4.816 50 0 KJAARN Cc1cccc(-n2c(/C=C3\c4ccccc4N(C)C3=O)nc3ccc(I)cc3c2=O)c1 ZINC000100022704 554182528 /nfs/dbraw/zinc/18/25/28/554182528.db2.gz ZILWZJUYISVJJL-XMHGGMMESA-N 0 0 519.342 4.816 50 0 KJAARN Cc1ccc(-n2c(/C=C3/c4ccccc4N(C)C3=O)nc3ccc(I)cc3c2=O)cc1 ZINC000100022755 554182548 /nfs/dbraw/zinc/18/25/48/554182548.db2.gz USZSSARURUDHCZ-RGEXLXHISA-N 0 0 519.342 4.816 50 0 KJAARN CCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2ccccc2)c2ccccc21 ZINC000100022831 554182534 /nfs/dbraw/zinc/18/25/34/554182534.db2.gz CMHUYUITDZNQRW-CYVLTUHYSA-N 0 0 519.342 4.897 50 0 KJAARN CCN1c2ccccc2/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2cccc(OC)c2)C1=O ZINC000100022913 554182603 /nfs/dbraw/zinc/18/26/03/554182603.db2.gz XPTPBFMOYVFTKT-HMMYKYKNSA-N 0 0 549.368 4.906 50 0 KJAARN CCN1c2ccccc2/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2ccc(OC)cc2)C1=O ZINC000100022963 554182787 /nfs/dbraw/zinc/18/27/87/554182787.db2.gz JSPXXLMXNQUZNG-HMMYKYKNSA-N 0 0 549.368 4.906 50 0 KJAARN O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000100025325 554183327 /nfs/dbraw/zinc/18/33/27/554183327.db2.gz SVVKRZQAFRVDED-CPWWYQHDSA-N 0 0 566.562 4.877 50 0 KJAARN O=C(OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000100025326 554183360 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ZKJXYBZOPMQAIT-DQARITGZSA-N 0 0 589.069 4.759 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4Cl)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100534174 554411806 /nfs/dbraw/zinc/41/18/06/554411806.db2.gz ZKJXYBZOPMQAIT-YRSDHNRQSA-N 0 0 589.069 4.759 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3Cl)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100534178 554411794 /nfs/dbraw/zinc/41/17/94/554411794.db2.gz HSLBZMRDRCHEDM-UPWSPCOFSA-N 0 0 589.069 4.759 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccccc3Cl)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100534181 554411765 /nfs/dbraw/zinc/41/17/65/554411765.db2.gz HSLBZMRDRCHEDM-ZJTZAHLKSA-N 0 0 589.069 4.759 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100534315 554411796 /nfs/dbraw/zinc/41/17/96/554411796.db2.gz UIBFDALQWOEMCN-DDIUQFJASA-N 0 0 614.720 4.793 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100534320 554411801 /nfs/dbraw/zinc/41/18/01/554411801.db2.gz UIBFDALQWOEMCN-IMUCPKNRSA-N 0 0 614.720 4.793 50 0 KJAARN O=C1[C@H]2[C@@H](C(=O)N1c1nccs1)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000100539907 554412812 /nfs/dbraw/zinc/41/28/12/554412812.db2.gz SIEWRTDAFZHQHT-XBLGPDGASA-N 0 0 516.214 4.553 50 0 KJAARN COc1ccc2nc(NC(=O)c3cc(I)ccc3I)sc2c1 ZINC000100546062 554414076 /nfs/dbraw/zinc/41/40/76/554414076.db2.gz MXBGMZCGXVIPOG-UHFFFAOYSA-N 0 0 536.132 4.766 50 0 KJAARN COc1ccc(-n2nc3ccc(NC(=O)c4cc(I)ccc4I)cc3n2)cc1 ZINC000100546162 554414045 /nfs/dbraw/zinc/41/40/45/554414045.db2.gz VDRUGQCMUQXRAL-UHFFFAOYSA-N 0 0 596.166 4.891 50 0 KJAARN Cc1c(NC(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000100549038 554414346 /nfs/dbraw/zinc/41/43/46/554414346.db2.gz MQUJLZSPQCCYMD-ULJHMMPZSA-N 0 0 545.437 4.965 50 0 KJAARN COc1ccc(CN(C(=O)c2cccc(F)c2)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000100563754 554419162 /nfs/dbraw/zinc/41/91/62/554419162.db2.gz AYCAUAQMVRPJKO-QFIPXVFZSA-N 0 0 511.347 4.571 50 0 KJAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000100565171 554419769 /nfs/dbraw/zinc/41/97/69/554419769.db2.gz INIRZFDYJSYSPZ-UHFFFAOYSA-N 0 0 566.054 4.807 50 0 KJAARN Cc1cc(C)c(C2=NON3N(C(=O)c4ccc(S(=O)(=O)N5CCCCC5)cc4)c4ccccc4N23)c(C)c1 ZINC000100566898 554419998 /nfs/dbraw/zinc/41/99/98/554419998.db2.gz MVSIKPOKWVXNDV-UHFFFAOYSA-N 0 0 531.638 4.692 50 0 KJAARN COc1ccc(CCN(C(=O)c2ccc(Cl)cc2)[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000100570662 554421946 /nfs/dbraw/zinc/42/19/46/554421946.db2.gz VSEGLBKYNPUHHQ-QFIPXVFZSA-N 0 0 510.949 4.513 50 0 KJAARN CCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)c(OC)c3)C(=S)Nc3ccccc3)C2=O)cc1 ZINC000100573283 554422104 /nfs/dbraw/zinc/42/21/04/554422104.db2.gz GPASVPLXBMSDMV-DEOSSOPVSA-N 0 0 533.650 4.676 50 0 KJAARN CCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)cc3)C(=O)c3cccc(F)c3)C2=O)cc1 ZINC000100578202 554424492 /nfs/dbraw/zinc/42/44/92/554424492.db2.gz JJMKRUDSFYIVFM-SANMLTNESA-N 0 0 504.558 4.640 50 0 KJAARN C[C@@H]1C[C@H](C)CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CCN4C[C@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000100578980 554424359 /nfs/dbraw/zinc/42/43/59/554424359.db2.gz XKKAUSKWRNFREM-POYMRFPPSA-N 0 0 576.825 4.982 50 0 KJAARN C[C@@H]1C[C@H](C)CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CCN4C[C@@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000100578982 554424451 /nfs/dbraw/zinc/42/44/51/554424451.db2.gz XKKAUSKWRNFREM-ASDGIDEWSA-N 0 0 576.825 4.982 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CCN4C[C@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000100578985 554424340 /nfs/dbraw/zinc/42/43/40/554424340.db2.gz XKKAUSKWRNFREM-POTDNYQPSA-N 0 0 576.825 4.982 50 0 KJAARN O=C(N/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1 ZINC000100583792 554425827 /nfs/dbraw/zinc/42/58/27/554425827.db2.gz QJYYSIQGPLDHCE-NPNBDMEYSA-N 0 0 545.639 4.844 50 0 biogenic KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1cc(C(C)C)c(OC)cc1C ZINC000100590745 554428187 /nfs/dbraw/zinc/42/81/87/554428187.db2.gz BFDKURFGSMPKFF-NKYAOSOXSA-N 0 0 542.657 4.969 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1cc(C(C)C)c(OC)cc1C ZINC000100590748 554428169 /nfs/dbraw/zinc/42/81/69/554428169.db2.gz BFDKURFGSMPKFF-KYRGTEIWSA-N 0 0 542.657 4.969 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3OC)CCCC4)c(=O)n2[C@@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000100590856 554428603 /nfs/dbraw/zinc/42/86/03/554428603.db2.gz HSILMSDDOUSLDN-QYIOYSLNSA-N 0 0 598.721 4.856 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3OC)CCCC4)c(=O)n2[C@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000100590861 554428588 /nfs/dbraw/zinc/42/85/88/554428588.db2.gz HSILMSDDOUSLDN-MXLMUYMQSA-N 0 0 598.721 4.856 50 0 KJAARN COc1ccc(CCN(C(=O)c2cccc(F)c2)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000100590998 554428560 /nfs/dbraw/zinc/42/85/60/554428560.db2.gz FLERXDQYZDLKSS-QFIPXVFZSA-N 0 0 510.949 4.513 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4cccc(C)c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100592199 554428816 /nfs/dbraw/zinc/42/88/16/554428816.db2.gz VRRTXWYOXGIVLW-OUXZYKPHSA-N 0 0 628.747 4.972 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4cccc(C)c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100592203 554428808 /nfs/dbraw/zinc/42/88/08/554428808.db2.gz VRRTXWYOXGIVLW-NSQMGQQPSA-N 0 0 628.747 4.972 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4ccccc4C)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100592206 554428823 /nfs/dbraw/zinc/42/88/23/554428823.db2.gz PEYWZYDMYPSGBJ-OUXZYKPHSA-N 0 0 628.747 4.972 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCOc4ccccc4C)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100592209 554428791 /nfs/dbraw/zinc/42/87/91/554428791.db2.gz PEYWZYDMYPSGBJ-NSQMGQQPSA-N 0 0 628.747 4.972 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCCOc4ccc(C)cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100592328 554428771 /nfs/dbraw/zinc/42/87/71/554428771.db2.gz CKKMXUXHPUSIBR-JUNLCRQGSA-N 0 0 584.694 4.573 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCCOc4ccc(C)cc4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100592334 554428775 /nfs/dbraw/zinc/42/87/75/554428775.db2.gz CKKMXUXHPUSIBR-RMNLPTLGSA-N 0 0 584.694 4.573 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000100595318 554430014 /nfs/dbraw/zinc/43/00/14/554430014.db2.gz GHLPZUWLNFSYIJ-KYRGTEIWSA-N 0 0 537.641 4.750 50 0 KJAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000100595683 554430082 /nfs/dbraw/zinc/43/00/82/554430082.db2.gz LBCQVFZACUECNJ-GTWFGUSFSA-N 0 0 577.058 4.888 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000100604119 554431851 /nfs/dbraw/zinc/43/18/51/554431851.db2.gz NYBOKZYYFXFYIT-KUSDHMTMSA-N 0 0 590.705 4.968 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000100604123 554431838 /nfs/dbraw/zinc/43/18/38/554431838.db2.gz NYBOKZYYFXFYIT-POKSHJSXSA-N 0 0 590.705 4.968 50 0 KJAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(SC)cc3)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000100617860 554433368 /nfs/dbraw/zinc/43/33/68/554433368.db2.gz KZMPDAMHGNKBPL-CMISJSSVSA-N 0 0 588.707 4.957 50 0 KJAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(SC)cc3)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000100617865 554433374 /nfs/dbraw/zinc/43/33/74/554433374.db2.gz KZMPDAMHGNKBPL-DBXPASCUSA-N 0 0 588.707 4.957 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000100618588 554433865 /nfs/dbraw/zinc/43/38/65/554433865.db2.gz SHZIFIQKGLAGRA-LMSRTUJASA-N 0 0 609.498 4.838 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000100618592 554433868 /nfs/dbraw/zinc/43/38/68/554433868.db2.gz SHZIFIQKGLAGRA-RISWYLRJSA-N 0 0 609.498 4.838 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100618781 554433838 /nfs/dbraw/zinc/43/38/38/554433838.db2.gz GOQIYTVQKVSCTG-NFYDWNOTSA-N 0 0 607.482 4.858 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100618787 554433847 /nfs/dbraw/zinc/43/38/47/554433847.db2.gz GOQIYTVQKVSCTG-ZFWDJNJRSA-N 0 0 607.482 4.858 50 0 KJAARN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000100625422 554434720 /nfs/dbraw/zinc/43/47/20/554434720.db2.gz OWYQTCMBUOLPLA-HKBQPEDESA-N 0 0 549.631 4.535 50 0 KJAARN COc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000100625424 554434715 /nfs/dbraw/zinc/43/47/15/554434715.db2.gz OWYQTCMBUOLPLA-WJOKGBTCSA-N 0 0 549.631 4.535 50 0 KJAARN COc1cc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc(OC)c1OC ZINC000100625523 554434709 /nfs/dbraw/zinc/43/47/09/554434709.db2.gz GFNANWOKEHDQFD-CJFMBICVSA-N 0 0 580.769 4.703 50 0 KJAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000100625562 554434662 /nfs/dbraw/zinc/43/46/62/554434662.db2.gz TYKHGPBJGDRZLH-UHFFFAOYSA-N 0 0 534.650 4.921 50 0 KJAARN COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OC ZINC000100625564 554434681 /nfs/dbraw/zinc/43/46/81/554434681.db2.gz VPUOKWCQJLMQBI-UHFFFAOYSA-N 0 0 558.722 4.660 50 0 KJAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100629084 554435268 /nfs/dbraw/zinc/43/52/68/554435268.db2.gz XYUCMEPYKBVPGM-UHFFFAOYSA-N 0 0 522.677 4.875 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000100661897 554439142 /nfs/dbraw/zinc/43/91/42/554439142.db2.gz FQBXFZWXOHICIS-AHNSQEAUSA-N 0 0 579.678 4.964 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000100661899 554439059 /nfs/dbraw/zinc/43/90/59/554439059.db2.gz FQBXFZWXOHICIS-ZNRKBWGRSA-N 0 0 579.678 4.964 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100661927 554439134 /nfs/dbraw/zinc/43/91/34/554439134.db2.gz UCRAZBDOHSRMKX-JUTHHCEFSA-N 0 0 591.911 4.622 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100661928 554439067 /nfs/dbraw/zinc/43/90/67/554439067.db2.gz UCRAZBDOHSRMKX-VVOOWDFBSA-N 0 0 591.911 4.622 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100661977 554439431 /nfs/dbraw/zinc/43/94/31/554439431.db2.gz JJLTUBXAVLCQKF-AHNSQEAUSA-N 0 0 579.678 4.964 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4[nH]c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100661978 554439390 /nfs/dbraw/zinc/43/93/90/554439390.db2.gz JJLTUBXAVLCQKF-ZNRKBWGRSA-N 0 0 579.678 4.964 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2cnc(N3CCN(c4ccccc4OC)CC3)c3ccccc23)CC1 ZINC000100665223 554439901 /nfs/dbraw/zinc/43/99/01/554439901.db2.gz RNYITEQIOMWMHQ-UHFFFAOYSA-N 0 0 537.664 4.541 50 0 KJAARN COC(=O)c1ccc(N[C@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000100666749 554440203 /nfs/dbraw/zinc/44/02/03/554440203.db2.gz FZOFBDFHQNZSJB-MRXNPFEDSA-N 0 0 527.573 4.616 50 0 KJAARN COC(=O)c1ccccc1N[C@H](NC(=O)c1cccc(I)c1)C(Cl)(Cl)Cl ZINC000100666753 554440181 /nfs/dbraw/zinc/44/01/81/554440181.db2.gz LTIZFFPZYOXFKY-MRXNPFEDSA-N 0 0 527.573 4.616 50 0 KJAARN OC(c1cccc(I)c1)(c1cccc(I)c1)c1ccccn1 ZINC000100682487 554447783 /nfs/dbraw/zinc/44/77/83/554447783.db2.gz FVNIHGWBWPOZLC-UHFFFAOYSA-N 0 0 513.116 4.575 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)N[C@H](NC(=O)COc2ccc(CC)cc2)C(Cl)(Cl)Cl)cc1 ZINC000100683299 554448119 /nfs/dbraw/zinc/44/81/19/554448119.db2.gz DBEGGSLUTCAFJH-FQEVSTJZSA-N 0 0 532.877 4.604 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)COc2ccc(CC)cc2)C(Cl)(Cl)Cl)cc1 ZINC000100683303 554448124 /nfs/dbraw/zinc/44/81/24/554448124.db2.gz DBEGGSLUTCAFJH-HXUWFJFHSA-N 0 0 532.877 4.604 50 0 KJAARN Cc1c(NC(=S)N[C@H](NC(=O)c2cccc(Br)c2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000100683446 554448056 /nfs/dbraw/zinc/44/80/56/554448056.db2.gz YMJGBXLKWDYQTP-IBGZPJMESA-N 0 0 591.746 4.660 50 0 KJAARN Cc1c(NC(=S)N[C@@H](NC(=O)c2cccc(Br)c2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000100683448 554448089 /nfs/dbraw/zinc/44/80/89/554448089.db2.gz YMJGBXLKWDYQTP-LJQANCHMSA-N 0 0 591.746 4.660 50 0 KJAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2Br)C(Cl)(Cl)Cl)cc1OC ZINC000100683501 554448375 /nfs/dbraw/zinc/44/83/75/554448375.db2.gz YDEXWEUTQFUKHV-MRXNPFEDSA-N 0 0 541.682 4.879 50 0 KJAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2Br)C(Cl)(Cl)Cl)cc1OC ZINC000100683504 554448421 /nfs/dbraw/zinc/44/84/21/554448421.db2.gz YDEXWEUTQFUKHV-INIZCTEOSA-N 0 0 541.682 4.879 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100683604 554448408 /nfs/dbraw/zinc/44/84/08/554448408.db2.gz GMABGIJCTYMLPM-GJFKPFFXSA-N 0 0 571.095 4.646 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100683609 554448417 /nfs/dbraw/zinc/44/84/17/554448417.db2.gz GMABGIJCTYMLPM-LWUPDDLQSA-N 0 0 571.095 4.646 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCC)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100683654 554448658 /nfs/dbraw/zinc/44/86/58/554448658.db2.gz YHOLSWOROLDFEN-GJFKPFFXSA-N 0 0 585.520 4.747 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCC)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100683660 554448711 /nfs/dbraw/zinc/44/87/11/554448711.db2.gz YHOLSWOROLDFEN-LWUPDDLQSA-N 0 0 585.520 4.747 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000100683862 554448647 /nfs/dbraw/zinc/44/86/47/554448647.db2.gz LWTLTXRMYCHYCO-ZGOFBEGVSA-N 0 0 534.678 4.719 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000100683868 554448909 /nfs/dbraw/zinc/44/89/09/554448909.db2.gz LWTLTXRMYCHYCO-BIWBSIMWSA-N 0 0 534.678 4.719 50 0 KJAARN COc1ccc(OC)c(NC(=S)N[C@H](NC(=O)c2ccc(I)cc2)C(Cl)(Cl)Cl)c1 ZINC000100683912 554448903 /nfs/dbraw/zinc/44/89/03/554448903.db2.gz MTEZCHKXANJRMA-INIZCTEOSA-N 0 0 588.682 4.721 50 0 KJAARN COc1ccc(OC)c(NC(=S)N[C@@H](NC(=O)c2ccc(I)cc2)C(Cl)(Cl)Cl)c1 ZINC000100683913 554448921 /nfs/dbraw/zinc/44/89/21/554448921.db2.gz MTEZCHKXANJRMA-MRXNPFEDSA-N 0 0 588.682 4.721 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCCOC)=C(C)NC(C)=C2C(=O)OCCOC)cc1 ZINC000100692994 554450528 /nfs/dbraw/zinc/45/05/28/554450528.db2.gz UJQXWFLMIVNWRW-UHFFFAOYSA-N 0 0 575.662 4.552 50 0 KJAARN COc1ccc(CC(=O)N[C@H](NC(=S)Nc2ccc(I)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000100695644 554451078 /nfs/dbraw/zinc/45/10/78/554451078.db2.gz RCFCOHGCTOMSBB-QGZVFWFLSA-N 0 0 602.709 4.650 50 0 KJAARN COc1ccc(CC(=O)N[C@@H](NC(=S)Nc2ccc(I)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000100695649 554451076 /nfs/dbraw/zinc/45/10/76/554451076.db2.gz RCFCOHGCTOMSBB-KRWDZBQOSA-N 0 0 602.709 4.650 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2Br)cc1 ZINC000100697138 554451060 /nfs/dbraw/zinc/45/10/60/554451060.db2.gz PIDZDCXZNYXGHI-FYJGNVAPSA-N 0 0 537.366 4.764 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1ccccc1F ZINC000100702072 554452285 /nfs/dbraw/zinc/45/22/85/554452285.db2.gz GCZLFGHIRHZLQJ-AWEZNQCLSA-N 0 0 546.620 4.843 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1ccccc1F ZINC000100702075 554452259 /nfs/dbraw/zinc/45/22/59/554452259.db2.gz GCZLFGHIRHZLQJ-CQSZACIVSA-N 0 0 546.620 4.843 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)c2ccccc2)cc1 ZINC000100703121 554452486 /nfs/dbraw/zinc/45/24/86/554452486.db2.gz SVANWTBHTWDBGF-RUZDIDTESA-N 0 0 523.994 4.869 50 0 KJAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)c2ccccc2)cc1 ZINC000100703124 554452491 /nfs/dbraw/zinc/45/24/91/554452491.db2.gz SVANWTBHTWDBGF-VWLOTQADSA-N 0 0 523.994 4.869 50 0 KJAARN O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](Sc2ccccc2)[C@@H](O)[C@H]1O ZINC000100707131 554453049 /nfs/dbraw/zinc/45/30/49/554453049.db2.gz QZYZPRXHJWCXSY-IXYVTWBDSA-N 0 0 514.643 4.595 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)cc1 ZINC000100708295 554453070 /nfs/dbraw/zinc/45/30/70/554453070.db2.gz RNCBAVRGWPAJFR-VWLOTQADSA-N 0 0 556.482 4.664 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)cc1 ZINC000100708298 554453063 /nfs/dbraw/zinc/45/30/63/554453063.db2.gz RNCBAVRGWPAJFR-RUZDIDTESA-N 0 0 556.482 4.664 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100712725 554454486 /nfs/dbraw/zinc/45/44/86/554454486.db2.gz BTZCLQCJOYYJPV-RQLGBQGVSA-N 0 0 525.413 4.975 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100712727 554454462 /nfs/dbraw/zinc/45/44/62/554454462.db2.gz BTZCLQCJOYYJPV-FJWZAKCXSA-N 0 0 525.413 4.975 50 0 KJAARN COc1ccc(CCN(C(=S)Nc2ccccc2)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000100717745 554454942 /nfs/dbraw/zinc/45/49/42/554454942.db2.gz NUEDJFLUYYPZIW-QFIPXVFZSA-N 0 0 524.042 4.931 50 0 KJAARN CC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000100720295 554455108 /nfs/dbraw/zinc/45/51/08/554455108.db2.gz RSJKVCHDBYPGIZ-INIZCTEOSA-N 0 0 570.667 4.907 50 0 KJAARN CC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000100720299 554455144 /nfs/dbraw/zinc/45/51/44/554455144.db2.gz RSJKVCHDBYPGIZ-MRXNPFEDSA-N 0 0 570.667 4.907 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000100720301 554455157 /nfs/dbraw/zinc/45/51/57/554455157.db2.gz AVHHAKSEHGBQJW-KRWDZBQOSA-N 0 0 600.693 4.881 50 0 KJAARN CCOC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)cc1 ZINC000100720306 554455168 /nfs/dbraw/zinc/45/51/68/554455168.db2.gz AVHHAKSEHGBQJW-QGZVFWFLSA-N 0 0 600.693 4.881 50 0 KJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2oc3ccccc3c2C)c(OC)c1 ZINC000100724633 554456318 /nfs/dbraw/zinc/45/63/18/554456318.db2.gz ZGALKYHQJPGOJW-UHFFFAOYSA-N 0 0 505.523 4.550 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1C ZINC000100724980 554456719 /nfs/dbraw/zinc/45/67/19/554456719.db2.gz OCXLUYFLFAFMTH-ITYLOYPMSA-N 0 0 547.640 4.676 50 0 KJAARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1C ZINC000100725013 554456702 /nfs/dbraw/zinc/45/67/02/554456702.db2.gz MZDGBPUTCNKKQR-USHMODERSA-N 0 0 561.667 4.600 50 0 KJAARN O=C(N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1ccc(F)cc1 ZINC000100726840 554457545 /nfs/dbraw/zinc/45/75/45/554457545.db2.gz HCYAEZZYMAFTJJ-AWEZNQCLSA-N 0 0 546.620 4.843 50 0 KJAARN O=C(N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1ccc(F)cc1 ZINC000100726843 554457424 /nfs/dbraw/zinc/45/74/24/554457424.db2.gz HCYAEZZYMAFTJJ-CQSZACIVSA-N 0 0 546.620 4.843 50 0 KJAARN COc1cc(C(=O)N[C@H](NC(=S)Nc2ccccc2I)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000100727640 554458184 /nfs/dbraw/zinc/45/81/84/554458184.db2.gz IHRZQOUOUUZTRQ-QGZVFWFLSA-N 0 0 618.708 4.730 50 0 KJAARN COc1cc(C(=O)N[C@@H](NC(=S)Nc2ccccc2I)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000100727643 554458113 /nfs/dbraw/zinc/45/81/13/554458113.db2.gz IHRZQOUOUUZTRQ-KRWDZBQOSA-N 0 0 618.708 4.730 50 0 KJAARN COc1cc(C(=O)N[C@H](NC(=S)Nc2ccc(I)cc2)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000100727648 554458171 /nfs/dbraw/zinc/45/81/71/554458171.db2.gz HYVCLMDIKVDDBI-QGZVFWFLSA-N 0 0 618.708 4.730 50 0 KJAARN COc1cc(C(=O)N[C@@H](NC(=S)Nc2ccc(I)cc2)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000100727651 554458212 /nfs/dbraw/zinc/45/82/12/554458212.db2.gz HYVCLMDIKVDDBI-KRWDZBQOSA-N 0 0 618.708 4.730 50 0 KJAARN COc1cc(C(=O)N[C@H](NC(=S)Nc2ccccc2Cl)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000100727654 554458110 /nfs/dbraw/zinc/45/81/10/554458110.db2.gz NICYDNNDMACHOV-QGZVFWFLSA-N 0 0 527.257 4.779 50 0 KJAARN COc1cc(C(=O)N[C@@H](NC(=S)Nc2ccccc2Cl)C(Cl)(Cl)Cl)cc(OC)c1OC ZINC000100727656 554458160 /nfs/dbraw/zinc/45/81/60/554458160.db2.gz NICYDNNDMACHOV-KRWDZBQOSA-N 0 0 527.257 4.779 50 0 KJAARN O=C(NCCCN1CCOCC1)/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)NC(=O)c1ccccc1 ZINC000100728184 554458424 /nfs/dbraw/zinc/45/84/24/554458424.db2.gz FLJKZWMVMUVBKQ-MOHJPFBDSA-N 0 0 528.436 4.863 50 0 KJAARN O=C(Oc1ccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000100728777 554458756 /nfs/dbraw/zinc/45/87/56/554458756.db2.gz YLGAZBMZVYDWCU-WUFINQPMSA-N 0 0 555.608 4.575 50 0 KJAARN O=C(Oc1ccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000100728780 554458720 /nfs/dbraw/zinc/45/87/20/554458720.db2.gz YLGAZBMZVYDWCU-NSOVKSMOSA-N 0 0 555.608 4.575 50 0 KJAARN O=C(Oc1ccc(N(C(=O)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000100728783 554458715 /nfs/dbraw/zinc/45/87/15/554458715.db2.gz YLGAZBMZVYDWCU-VSGBNLITSA-N 0 0 555.608 4.575 50 0 KJAARN O=C(Oc1ccc(N(C(=O)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000100728786 554458723 /nfs/dbraw/zinc/45/87/23/554458723.db2.gz YLGAZBMZVYDWCU-IZLXSDGUSA-N 0 0 555.608 4.575 50 0 KJAARN CCOC(=O)N[C@H](NC(=S)Nc1c(Br)cc(OC)cc1Br)C(Cl)(Cl)Cl ZINC000100731394 554460022 /nfs/dbraw/zinc/46/00/22/554460022.db2.gz YFYIPIXGOKZSGV-JTQLQIEISA-N 0 0 558.507 4.949 50 0 KJAARN CCOC(=O)N[C@@H](NC(=S)Nc1c(Br)cc(OC)cc1Br)C(Cl)(Cl)Cl ZINC000100731396 554460039 /nfs/dbraw/zinc/46/00/39/554460039.db2.gz YFYIPIXGOKZSGV-SNVBAGLBSA-N 0 0 558.507 4.949 50 0 KJAARN Cc1cc(Br)cc(Br)c1NC(=S)N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl ZINC000100731414 554460027 /nfs/dbraw/zinc/46/00/27/554460027.db2.gz SNRICWYWMSUGFV-SNVBAGLBSA-N 0 0 541.524 4.774 50 0 KJAARN Cc1cc(Br)cc(Br)c1NC(=S)N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl ZINC000100731416 554460009 /nfs/dbraw/zinc/46/00/09/554460009.db2.gz SNRICWYWMSUGFV-JTQLQIEISA-N 0 0 541.524 4.774 50 0 KJAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1 ZINC000100737112 554461366 /nfs/dbraw/zinc/46/13/66/554461366.db2.gz YUAQGFWIOWOMFP-ONUIUJJFSA-N 0 0 549.612 4.542 50 0 KJAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C ZINC000100738095 554461593 /nfs/dbraw/zinc/46/15/93/554461593.db2.gz ZKZXZNOVFUSHQM-UHFFFAOYSA-N 0 0 559.663 4.770 50 0 KJAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Cl)c1 ZINC000100738098 554461585 /nfs/dbraw/zinc/46/15/85/554461585.db2.gz BSMDIVFQSZLDFF-UHFFFAOYSA-N 0 0 596.080 4.815 50 0 KJAARN CC1=C(C(=O)OC(C)C)C(c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)C(C(=O)OC(C)C)=C(C)N1 ZINC000100738112 554461611 /nfs/dbraw/zinc/46/16/11/554461611.db2.gz PLDHMRLGMXSDEG-UHFFFAOYSA-N 0 0 606.745 4.928 50 0 KJAARN O=C(Cn1cnc2c(I)cc(I)cc2c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100744104 554463896 /nfs/dbraw/zinc/46/38/96/554463896.db2.gz IFGMCRHQIXEKIV-UHFFFAOYSA-N 0 0 599.981 4.551 50 0 KJAARN O=C(Cn1cnc2c(I)cc(I)cc2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000100744110 554463932 /nfs/dbraw/zinc/46/39/32/554463932.db2.gz RCYPJKLKONYVDY-UHFFFAOYSA-N 0 0 599.981 4.551 50 0 KJAARN O=C(Cn1cnc2c(I)cc(I)cc2c1=O)Nc1c(Cl)cccc1Cl ZINC000100744114 554463888 /nfs/dbraw/zinc/46/38/88/554463888.db2.gz RDLWKGKWRKEMPE-UHFFFAOYSA-N 0 0 599.981 4.551 50 0 KJAARN O=C(Cn1cnc2c(I)cc(I)cc2c1=O)Nc1cc(Cl)ccc1Cl ZINC000100744117 554463945 /nfs/dbraw/zinc/46/39/45/554463945.db2.gz OEUSLXYGMZZWLB-UHFFFAOYSA-N 0 0 599.981 4.551 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000100746002 554464448 /nfs/dbraw/zinc/46/44/48/554464448.db2.gz XYXVAUCMPXVZRT-IGSWSUAKSA-N 0 0 555.494 4.693 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000100746007 554464426 /nfs/dbraw/zinc/46/44/26/554464426.db2.gz XYXVAUCMPXVZRT-YMSBRDKKSA-N 0 0 555.494 4.693 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100746374 554464982 /nfs/dbraw/zinc/46/49/82/554464982.db2.gz HXWFRWAYROXJGX-ZEKHAJRLSA-N 0 0 561.059 4.606 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100746380 554464947 /nfs/dbraw/zinc/46/49/47/554464947.db2.gz HXWFRWAYROXJGX-VEOZPNHKSA-N 0 0 561.059 4.606 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000100746398 554465028 /nfs/dbraw/zinc/46/50/28/554465028.db2.gz ZCCJOUMHZLRRFH-YPKVGQCMSA-N 0 0 545.458 4.698 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000100746403 554464929 /nfs/dbraw/zinc/46/49/29/554464929.db2.gz ZCCJOUMHZLRRFH-BDPRQDHOSA-N 0 0 545.458 4.698 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100746438 554464992 /nfs/dbraw/zinc/46/49/92/554464992.db2.gz GMQYYJVHKORXFR-HZHYMEEXSA-N 0 0 531.033 4.598 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100746444 554464959 /nfs/dbraw/zinc/46/49/59/554464959.db2.gz GMQYYJVHKORXFR-VFHYMGCCSA-N 0 0 531.033 4.598 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000100746479 554464970 /nfs/dbraw/zinc/46/49/70/554464970.db2.gz DTNPPAMFGSGSQG-GKKFRVOYSA-N 0 0 537.616 4.566 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000100746482 554465036 /nfs/dbraw/zinc/46/50/36/554465036.db2.gz DTNPPAMFGSGSQG-DBLMTGOPSA-N 0 0 537.616 4.566 50 0 KJAARN CCOc1c(I)cc(/C=C2\N=C(c3ccccc3)OC2=O)cc1I ZINC000100748830 554466009 /nfs/dbraw/zinc/46/60/09/554466009.db2.gz XYKZTOQUOILRGM-GDNBJRDFSA-N 0 0 545.114 4.639 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100749602 554466053 /nfs/dbraw/zinc/46/60/53/554466053.db2.gz HFQOHYFDOVEAJH-HSZRJFAPSA-N 0 0 582.078 4.717 50 0 KJAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100749603 554466057 /nfs/dbraw/zinc/46/60/57/554466057.db2.gz HFQOHYFDOVEAJH-QHCPKHFHSA-N 0 0 582.078 4.717 50 0 KJAARN CCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccc4c(c3)OCO4)C(=S)Nc3ccccc3)C2=O)cc1 ZINC000100752071 554466271 /nfs/dbraw/zinc/46/62/71/554466271.db2.gz POVMQBQOKFTILX-QHCPKHFHSA-N 0 0 517.607 4.735 50 0 KJAARN O=C1C(=O)N(OCc2ccc(Br)cc2)[C@H]2CCCC[C@H]2N1OCc1ccc(Br)cc1 ZINC000100752243 554466200 /nfs/dbraw/zinc/46/62/00/554466200.db2.gz FABBYUIQYBYMEC-BGYRXZFFSA-N 0 0 538.236 4.757 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100758480 554467487 /nfs/dbraw/zinc/46/74/87/554467487.db2.gz SYWWWGJCECIWMC-XSZPGNIMSA-N 0 0 535.021 4.720 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000100758482 554467396 /nfs/dbraw/zinc/46/73/96/554467396.db2.gz SYWWWGJCECIWMC-XXMKCSCWSA-N 0 0 535.021 4.720 50 0 KJAARN COc1ccc(C(=O)O[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)N2[C@@H]3CC[C@H]2C[C@H](OC(=O)c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000100763136 554468790 /nfs/dbraw/zinc/46/87/90/554468790.db2.gz JAXWQXGHHUWAKY-GDXAGGOLSA-N 0 0 608.688 4.846 50 0 biogenic KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100764604 554469416 /nfs/dbraw/zinc/46/94/16/554469416.db2.gz OFTVHLBVNSBDEU-MGSPXPDISA-N 0 0 522.985 4.851 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100764607 554469411 /nfs/dbraw/zinc/46/94/11/554469411.db2.gz OFTVHLBVNSBDEU-XPCGLTFESA-N 0 0 522.985 4.851 50 0 KJAARN O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\c1cc2c(cc1Br)OCO2 ZINC000100771921 554471237 /nfs/dbraw/zinc/47/12/37/554471237.db2.gz ULJDKTWFWJNPPU-DXNYSGJVSA-N 0 0 532.515 4.780 50 0 KJAARN COc1ccc(-n2c(/C=C3\c4ccccc4N(C)C3=O)nc3ccc(I)cc3c2=O)cc1 ZINC000100779754 554472483 /nfs/dbraw/zinc/47/24/83/554472483.db2.gz ZELXFTISOBZFII-XMHGGMMESA-N 0 0 535.341 4.516 50 0 KJAARN COc1cccc(-n2c(/C=C3\c4ccccc4N(C)C3=O)nc3ccc(I)cc3c2=O)c1 ZINC000100780930 554472463 /nfs/dbraw/zinc/47/24/63/554472463.db2.gz FTQZARHACZKCSO-XMHGGMMESA-N 0 0 535.341 4.516 50 0 KJAARN Cc1c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000100788244 554472728 /nfs/dbraw/zinc/47/27/28/554472728.db2.gz YAHHNDQVYSWYFG-UHFFFAOYSA-N 0 0 547.990 4.913 50 0 KJAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)OCC)c(OCC)c1)N(C(C)=O)c1ccccc1-2 ZINC000100791399 554473026 /nfs/dbraw/zinc/47/30/26/554473026.db2.gz CKQOARIQRMOJNR-SANMLTNESA-N 0 0 538.626 4.825 50 0 KJAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)OCC)c(OCC)c1)N(C(C)=O)c1ccccc1-2 ZINC000100791401 554473039 /nfs/dbraw/zinc/47/30/39/554473039.db2.gz CKQOARIQRMOJNR-AREMUKBSSA-N 0 0 538.626 4.825 50 0 KJAARN COc1ccc(-n2c(/C=C3/C(=O)Nc4ccc(C)cc43)nc3ccc(I)cc3c2=O)cc1 ZINC000100793446 554473537 /nfs/dbraw/zinc/47/35/37/554473537.db2.gz RPCCNLDHHQGNNT-CPNJWEJPSA-N 0 0 535.341 4.800 50 0 KJAARN CC(C)N1c2ccccc2[C@@H](NC(=O)CCn2c3ccccc3c3c2-c2nc4ccccc4c(=O)n2CC3)C1=O ZINC000100798111 554474169 /nfs/dbraw/zinc/47/41/69/554474169.db2.gz LMSSVSORXKPSIN-MUUNZHRXSA-N 0 0 531.616 4.577 50 0 biogenic KJAARN COc1cc(I)c(-c2cc(OC)c(OC)cc2I)cc1OC ZINC000100810708 554475183 /nfs/dbraw/zinc/47/51/83/554475183.db2.gz RQLWTXPDCAJYGM-UHFFFAOYSA-N 0 0 526.108 4.597 50 0 KJAARN O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000100813256 554475459 /nfs/dbraw/zinc/47/54/59/554475459.db2.gz UOBCELLLPKRTIY-UHFFFAOYSA-N 0 0 560.566 4.651 50 0 KJAARN O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000100814734 554475860 /nfs/dbraw/zinc/47/58/60/554475860.db2.gz XEVAUGFHRFFZGH-IHLOFXLRSA-N 0 0 552.627 4.701 50 0 KJAARN O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000100814735 554475783 /nfs/dbraw/zinc/47/57/83/554475783.db2.gz XEVAUGFHRFFZGH-LOYHVIPDSA-N 0 0 552.627 4.701 50 0 KJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000100814738 554475832 /nfs/dbraw/zinc/47/58/32/554475832.db2.gz XEVAUGFHRFFZGH-KYJUHHDHSA-N 0 0 552.627 4.701 50 0 KJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000100814739 554475874 /nfs/dbraw/zinc/47/58/74/554475874.db2.gz XEVAUGFHRFFZGH-XZWHSSHBSA-N 0 0 552.627 4.701 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000100816233 554476488 /nfs/dbraw/zinc/47/64/88/554476488.db2.gz UNXQKKCTSBMTLV-FDJWOJMMSA-N 0 0 502.611 4.798 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1 ZINC000100816989 554476991 /nfs/dbraw/zinc/47/69/91/554476991.db2.gz SXPJPKHEHYSRLC-VWLOTQADSA-N 0 0 619.545 4.986 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1 ZINC000100816991 554476954 /nfs/dbraw/zinc/47/69/54/554476954.db2.gz SXPJPKHEHYSRLC-RUZDIDTESA-N 0 0 619.545 4.986 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(C)c4)n3C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000100817000 554477289 /nfs/dbraw/zinc/47/72/89/554477289.db2.gz FQTIAFUKEQCMSX-MHZLTWQESA-N 0 0 568.703 4.841 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(C)c4)n3C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000100817002 554477278 /nfs/dbraw/zinc/47/72/78/554477278.db2.gz FQTIAFUKEQCMSX-HHHXNRCGSA-N 0 0 568.703 4.841 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(C)c4)n3C)[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000100817003 554477294 /nfs/dbraw/zinc/47/72/94/554477294.db2.gz LLUJLBZVSWECNC-SANMLTNESA-N 0 0 614.728 4.549 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(C)c4)n3C)[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000100817006 554477271 /nfs/dbraw/zinc/47/72/71/554477271.db2.gz LLUJLBZVSWECNC-AREMUKBSSA-N 0 0 614.728 4.549 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)COc3ccccc3)n1Cc1ccccc1)CCCC2 ZINC000100817260 554477456 /nfs/dbraw/zinc/47/74/56/554477456.db2.gz VYYCLVMJEPXSTG-UHFFFAOYSA-N 0 0 619.769 4.869 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2)c(C(=O)OCC)c1C ZINC000100817262 554477511 /nfs/dbraw/zinc/47/75/11/554477511.db2.gz TWGUYOONXNMAKR-UHFFFAOYSA-N 0 0 627.770 4.772 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccco3)n1Cc1ccccc1)CCCC2 ZINC000100817268 554477784 /nfs/dbraw/zinc/47/77/84/554477784.db2.gz VYKOOMWLFKOASL-UHFFFAOYSA-N 0 0 579.704 4.697 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2cc(C)ccc2C)c(C(=O)OCC)c1C ZINC000100817279 554477738 /nfs/dbraw/zinc/47/77/38/554477738.db2.gz BNZYVMVBQURDIX-UHFFFAOYSA-N 0 0 625.729 4.861 50 0 KJAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccco3)n2Cc2ccccc2)c(C(=O)OCC)c1C ZINC000100817361 554477938 /nfs/dbraw/zinc/47/79/38/554477938.db2.gz MKHCHSUOKHTYNQ-GOSISDBHSA-N 0 0 625.729 4.692 50 0 KJAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccco3)n2Cc2ccccc2)c(C(=O)OCC)c1C ZINC000100817362 554478093 /nfs/dbraw/zinc/47/80/93/554478093.db2.gz MKHCHSUOKHTYNQ-SFHVURJKSA-N 0 0 625.729 4.692 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccco3)n1CCc1ccccc1)CCC2 ZINC000100817372 554477958 /nfs/dbraw/zinc/47/79/58/554477958.db2.gz KJUSVHFLDXABAT-GOSISDBHSA-N 0 0 593.731 4.890 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccco3)n1CCc1ccccc1)CCC2 ZINC000100817373 554478016 /nfs/dbraw/zinc/47/80/16/554478016.db2.gz KJUSVHFLDXABAT-SFHVURJKSA-N 0 0 593.731 4.890 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000100817669 554478043 /nfs/dbraw/zinc/47/80/43/554478043.db2.gz SRMYMKBZRRDZNF-UHFFFAOYSA-N 0 0 567.733 4.910 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CCN(C(C)C)C2 ZINC000100817692 554477984 /nfs/dbraw/zinc/47/79/84/554477984.db2.gz WKWZASJKBFPOLF-OALUTQOASA-N 0 0 547.743 4.610 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CCN(C(C)C)C2 ZINC000100817695 554478057 /nfs/dbraw/zinc/47/80/57/554478057.db2.gz WKWZASJKBFPOLF-RTBURBONSA-N 0 0 547.743 4.610 50 0 KJAARN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccc(Br)cc1 ZINC000100817975 554478483 /nfs/dbraw/zinc/47/84/83/554478483.db2.gz IBMNNUIHJWETSM-KEZOAJOQSA-N 0 0 517.354 4.987 50 0 KJAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818105 554478519 /nfs/dbraw/zinc/47/85/19/554478519.db2.gz ZHUMGZZBKUVOOV-UHFFFAOYSA-N 0 0 568.746 4.676 50 0 KJAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CCN(C)C4)cc2)CC1 ZINC000100818134 554478423 /nfs/dbraw/zinc/47/84/23/554478423.db2.gz KMJHAJQYFYDERS-UHFFFAOYSA-N 0 0 625.798 4.728 50 0 KJAARN O=C(CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1CCc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000100818424 554478525 /nfs/dbraw/zinc/47/85/25/554478525.db2.gz FLHWDTNDQBRMFA-UHFFFAOYSA-N 0 0 598.817 4.794 50 0 KJAARN COc1cc(/C=C/C(=O)Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)s2)cc(OC)c1OC ZINC000100818608 554478654 /nfs/dbraw/zinc/47/86/54/554478654.db2.gz OENZIOVMBCOZSQ-CMDGGOBGSA-N 0 0 543.652 4.556 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000100818651 554478677 /nfs/dbraw/zinc/47/86/77/554478677.db2.gz KZZSHKBPRZZTLR-OJJQZRKESA-N 0 0 518.491 4.987 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1OC ZINC000100818812 554478725 /nfs/dbraw/zinc/47/87/25/554478725.db2.gz VQNMVNYMKKJGEZ-MYCYEZBNSA-N 0 0 548.517 4.995 50 0 KJAARN COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Br)cc4)N4c5ccccc5C=C[C@@H]34)C2O)cc1 ZINC000100818818 554478696 /nfs/dbraw/zinc/47/86/96/554478696.db2.gz MSXDJBZNTKJAGR-OJJQZRKESA-N 0 0 529.390 4.730 50 0 KJAARN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1ccc(Br)cc1 ZINC000100818830 554478603 /nfs/dbraw/zinc/47/86/03/554478603.db2.gz KSBQMWJGLOMJIQ-YCAMKHIRSA-N 0 0 517.354 4.861 50 0 KJAARN COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2)cc(OC)c1OC ZINC000100818862 554478712 /nfs/dbraw/zinc/47/87/12/554478712.db2.gz UXDCAHXIBHNKTD-NNALFKCQSA-N 0 0 537.638 4.675 50 0 biogenic KJAARN COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc(OC)c1OC ZINC000100818864 554478707 /nfs/dbraw/zinc/47/87/07/554478707.db2.gz UXDCAHXIBHNKTD-WXQAMHPUSA-N 0 0 537.638 4.675 50 0 biogenic KJAARN COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000100818866 554478659 /nfs/dbraw/zinc/47/86/59/554478659.db2.gz UUIQUYXEUKJHPT-WSOYEBOPSA-N 0 0 529.390 4.856 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3OC)c3ccccc23)cc1 ZINC000100820147 554479364 /nfs/dbraw/zinc/47/93/64/554479364.db2.gz CBHNNEBHXGDVMK-UHFFFAOYSA-N 0 0 531.634 4.987 50 0 KJAARN CCSc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3OC)c3ccccc23)s1 ZINC000100820150 554479322 /nfs/dbraw/zinc/47/93/22/554479322.db2.gz ICFBXCCMMUVLSQ-UHFFFAOYSA-N 0 0 527.697 4.774 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(OC)c(OC)c3)c3ccccc23)cc1 ZINC000100820203 554479245 /nfs/dbraw/zinc/47/92/45/554479245.db2.gz ZCNXGLYUSKCMNH-UHFFFAOYSA-N 0 0 561.660 4.996 50 0 KJAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)cc1OC ZINC000100820205 554479271 /nfs/dbraw/zinc/47/92/71/554479271.db2.gz QIJGAQDZIDALBH-UHFFFAOYSA-N 0 0 533.606 4.548 50 0 KJAARN COc1ccc(NC(=O)CSc2cn(CCNC(=O)c3ccc(OC)c(OC)c3)c3ccccc23)c(OC)c1 ZINC000100820208 554479285 /nfs/dbraw/zinc/47/92/85/554479285.db2.gz IRSAQQNOSBZUIG-UHFFFAOYSA-N 0 0 549.649 4.837 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000100820223 554479299 /nfs/dbraw/zinc/47/92/99/554479299.db2.gz ICXRYZGPSCYJOO-ZNBSHBAVSA-N 0 0 540.595 4.753 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000100820224 554479358 /nfs/dbraw/zinc/47/93/58/554479358.db2.gz ICXRYZGPSCYJOO-IOGUJBTOSA-N 0 0 540.595 4.753 50 0 KJAARN CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000100820299 554479262 /nfs/dbraw/zinc/47/92/62/554479262.db2.gz ZVFGADHJHRFOEE-QPLCGJKRSA-N 0 0 503.690 4.775 50 0 KJAARN CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000100820332 554479374 /nfs/dbraw/zinc/47/93/74/554479374.db2.gz ACFMBHAKLVISFK-RQZHXJHFSA-N 0 0 507.637 4.614 50 0 KJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(OC)c3n2CC)cc1 ZINC000100820340 554479697 /nfs/dbraw/zinc/47/96/97/554479697.db2.gz YVWUINKKLPFBLJ-RQZHXJHFSA-N 0 0 509.653 4.683 50 0 KJAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)n(C)c21 ZINC000100820349 554479741 /nfs/dbraw/zinc/47/97/41/554479741.db2.gz PGCZNFNPXPCYKT-QPLCGJKRSA-N 0 0 503.690 4.682 50 0 KJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(OCC)c3n2C)cc1 ZINC000100820352 554479765 /nfs/dbraw/zinc/47/97/65/554479765.db2.gz USKJAFPBIVVEMT-QPLCGJKRSA-N 0 0 503.690 4.971 50 0 KJAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)n(CC)c21 ZINC000100820364 554479763 /nfs/dbraw/zinc/47/97/63/554479763.db2.gz WPNSYWDLCOHYCT-QPLCGJKRSA-N 0 0 501.674 4.816 50 0 KJAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)n(CC)c21 ZINC000100820386 554479642 /nfs/dbraw/zinc/47/96/42/554479642.db2.gz APLSKOICUCOTOI-BVKCHYSWSA-N 0 0 501.674 4.529 50 0 KJAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)n(CC)c21 ZINC000100820387 554479674 /nfs/dbraw/zinc/47/96/74/554479674.db2.gz APLSKOICUCOTOI-GUBHCJHISA-N 0 0 501.674 4.529 50 0 KJAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)n(C)c21 ZINC000100820400 554479748 /nfs/dbraw/zinc/47/97/48/554479748.db2.gz YIQOUNYLDNZTKS-RQZHXJHFSA-N 0 0 507.637 4.521 50 0 KJAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)n(CC)c21 ZINC000100820405 554479655 /nfs/dbraw/zinc/47/96/55/554479655.db2.gz MRYKABSZDPPLTM-DQSJHHFOSA-N 0 0 521.664 4.610 50 0 KJAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(CC)Cc4ccccc4)cc3)n(C)c21 ZINC000100820416 554479628 /nfs/dbraw/zinc/47/96/28/554479628.db2.gz VFMPYHLGFSGFFC-RQZHXJHFSA-N 0 0 509.653 4.590 50 0 KJAARN CC1(C)O[C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c3nc[nH]c4=O)[C@H]2O1 ZINC000100821288 554480379 /nfs/dbraw/zinc/48/03/79/554480379.db2.gz KCWRKFVKIDINBP-JVYBIVSJSA-N 0 0 550.615 4.546 50 0 KJAARN CC1(C)O[C@@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c3nc[nH]c4=O)[C@H]2O1 ZINC000100821290 554480364 /nfs/dbraw/zinc/48/03/64/554480364.db2.gz KCWRKFVKIDINBP-IXMKEJRMSA-N 0 0 550.615 4.546 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000100821345 554480806 /nfs/dbraw/zinc/48/08/06/554480806.db2.gz UMHNEJZSXPBFRX-SANMLTNESA-N 0 0 550.644 4.896 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000100821346 554480669 /nfs/dbraw/zinc/48/06/69/554480669.db2.gz UMHNEJZSXPBFRX-AREMUKBSSA-N 0 0 550.644 4.896 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000100821347 554480750 /nfs/dbraw/zinc/48/07/50/554480750.db2.gz ILGHLVZREIGHAZ-VWLOTQADSA-N 0 0 554.607 4.727 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000100821349 554480688 /nfs/dbraw/zinc/48/06/88/554480688.db2.gz ILGHLVZREIGHAZ-RUZDIDTESA-N 0 0 554.607 4.727 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[nH]3)[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000100821368 554480739 /nfs/dbraw/zinc/48/07/39/554480739.db2.gz WMJHMPIUADSTQD-VWLOTQADSA-N 0 0 614.659 4.744 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[nH]3)[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000100821369 554480678 /nfs/dbraw/zinc/48/06/78/554480678.db2.gz WMJHMPIUADSTQD-RUZDIDTESA-N 0 0 614.659 4.744 50 0 KJAARN COc1cc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(SCc4ccccc4)nn32)cc(OC)c1OC ZINC000100821538 554480684 /nfs/dbraw/zinc/48/06/84/554480684.db2.gz JENJBDHGOZQKTQ-DEOSSOPVSA-N 0 0 544.637 4.919 50 0 KJAARN COc1cc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(SCc4ccccc4)nn32)cc(OC)c1OC ZINC000100821539 554480708 /nfs/dbraw/zinc/48/07/08/554480708.db2.gz JENJBDHGOZQKTQ-XMMPIXPASA-N 0 0 544.637 4.919 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(c(OC)ccc3C)n2CC)cc1 ZINC000100823916 554481701 /nfs/dbraw/zinc/48/17/01/554481701.db2.gz LGDQRCTYRFXLCW-RQZHXJHFSA-N 0 0 509.653 4.996 50 0 KJAARN COc1cc(C(=O)Oc2c(S(=O)(=O)c3ccccc3)c(C)nn2-c2ccc(C)cc2C)cc(OC)c1OC ZINC000100824152 554481762 /nfs/dbraw/zinc/48/17/62/554481762.db2.gz JWBKIAVPOQYNCE-UHFFFAOYSA-N 0 0 536.606 4.875 50 0 KJAARN O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1N1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 ZINC000100826603 554482224 /nfs/dbraw/zinc/48/22/24/554482224.db2.gz KKHYPVVPTANLBR-WUFINQPMSA-N 0 0 528.703 4.929 50 0 KJAARN O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 ZINC000100826604 554482241 /nfs/dbraw/zinc/48/22/41/554482241.db2.gz KKHYPVVPTANLBR-NSOVKSMOSA-N 0 0 528.703 4.929 50 0 KJAARN O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 ZINC000100826605 554482232 /nfs/dbraw/zinc/48/22/32/554482232.db2.gz KKHYPVVPTANLBR-VSGBNLITSA-N 0 0 528.703 4.929 50 0 KJAARN O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1N1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 ZINC000100826607 554482248 /nfs/dbraw/zinc/48/22/48/554482248.db2.gz KKHYPVVPTANLBR-IZLXSDGUSA-N 0 0 528.703 4.929 50 0 KJAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000100832663 554482840 /nfs/dbraw/zinc/48/28/40/554482840.db2.gz BISAJBMTDUXRBX-YXYCRFMBSA-N 0 0 593.768 4.961 50 0 KJAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000100832665 554482847 /nfs/dbraw/zinc/48/28/47/554482847.db2.gz BISAJBMTDUXRBX-CVGMVULCSA-N 0 0 593.768 4.961 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CCCCCN3C(=O)c4cccc5cccc(c54)C3=O)o2)nc1C ZINC000100832715 554482863 /nfs/dbraw/zinc/48/28/63/554482863.db2.gz LAISYACJPCBADH-UHFFFAOYSA-N 0 0 593.687 4.904 50 0 KJAARN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NCCN2CCOCC2)cc1 ZINC000100833313 554482924 /nfs/dbraw/zinc/48/29/24/554482924.db2.gz YEFFPYMRQMMMGF-ULJHMMPZSA-N 0 0 528.436 4.781 50 0 KJAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)c1 ZINC000100833563 554482889 /nfs/dbraw/zinc/48/28/89/554482889.db2.gz LCOVQNIXVFIGKP-VWLOTQADSA-N 0 0 538.622 4.938 50 0 KJAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)c1 ZINC000100833566 554482899 /nfs/dbraw/zinc/48/28/99/554482899.db2.gz LCOVQNIXVFIGKP-RUZDIDTESA-N 0 0 538.622 4.938 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1OC ZINC000100833568 554483150 /nfs/dbraw/zinc/48/31/50/554483150.db2.gz JLILRYWWYIYIER-VWLOTQADSA-N 0 0 538.622 4.938 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1OC ZINC000100833570 554483214 /nfs/dbraw/zinc/48/32/14/554483214.db2.gz JLILRYWWYIYIER-RUZDIDTESA-N 0 0 538.622 4.938 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000100835292 554483436 /nfs/dbraw/zinc/48/34/36/554483436.db2.gz AQJVLBHXEAPHRD-LIONHTAISA-N 0 0 529.390 4.856 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000100835293 554483456 /nfs/dbraw/zinc/48/34/56/554483456.db2.gz AQJVLBHXEAPHRD-NDBXHCKUSA-N 0 0 529.390 4.856 50 0 KJAARN Cc1ccc(C(C)C)c(OC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)c1 ZINC000100835974 554483522 /nfs/dbraw/zinc/48/35/22/554483522.db2.gz HXKXEPHDICFVBG-RULIXLRNSA-N 0 0 536.584 4.843 50 0 KJAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 ZINC000100837845 554484616 /nfs/dbraw/zinc/48/46/16/554484616.db2.gz OWRNUSXAHVTPRZ-UHFFFAOYSA-N 0 0 618.785 4.638 50 0 KJAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000100837865 554484562 /nfs/dbraw/zinc/48/45/62/554484562.db2.gz UHTSWLYKIFEVEV-XKGHIZKOSA-N 0 0 534.678 4.764 50 0 KJAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000100837867 554484597 /nfs/dbraw/zinc/48/45/97/554484597.db2.gz UHTSWLYKIFEVEV-NTWBUQQASA-N 0 0 534.678 4.764 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100837934 554484956 /nfs/dbraw/zinc/48/49/56/554484956.db2.gz DXEZVNBAJCFYTB-XSZPGNIMSA-N 0 0 535.021 4.720 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100837937 554484964 /nfs/dbraw/zinc/48/49/64/554484964.db2.gz DXEZVNBAJCFYTB-XXMKCSCWSA-N 0 0 535.021 4.720 50 0 KJAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(OCc4ccccc4)cc3)sc2=N1 ZINC000100837964 554484960 /nfs/dbraw/zinc/48/49/60/554484960.db2.gz CBDTWJMCTKRCFB-MKWGYRPRSA-N 0 0 530.671 4.827 50 0 KJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(=O)/c(=C\c3ccc(OCc4ccccc4)cc3)sc2=N1 ZINC000100837965 554484941 /nfs/dbraw/zinc/48/49/41/554484941.db2.gz CBDTWJMCTKRCFB-OCEWKHMESA-N 0 0 530.671 4.827 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100838034 554484973 /nfs/dbraw/zinc/48/49/73/554484973.db2.gz LSWJMEBYEDYYDZ-XSZPGNIMSA-N 0 0 579.472 4.829 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100838035 554484966 /nfs/dbraw/zinc/48/49/66/554484966.db2.gz LSWJMEBYEDYYDZ-XXMKCSCWSA-N 0 0 579.472 4.829 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838306 554485476 /nfs/dbraw/zinc/48/54/76/554485476.db2.gz JDJXKZMORVQQAT-LNXFQTKESA-N 0 0 613.475 4.909 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838307 554485463 /nfs/dbraw/zinc/48/54/63/554485463.db2.gz JDJXKZMORVQQAT-DJTCXORXSA-N 0 0 613.475 4.909 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838311 554485465 /nfs/dbraw/zinc/48/54/65/554485465.db2.gz GXQRBLJEOOFAKB-WCDDXEHASA-N 0 0 613.475 4.909 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838312 554485480 /nfs/dbraw/zinc/48/54/80/554485480.db2.gz GXQRBLJEOOFAKB-VZFFITARSA-N 0 0 613.475 4.909 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838313 554485687 /nfs/dbraw/zinc/48/56/87/554485687.db2.gz CQYXTCMBQHMNCF-LNXFQTKESA-N 0 0 613.475 4.909 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838315 554485717 /nfs/dbraw/zinc/48/57/17/554485717.db2.gz CQYXTCMBQHMNCF-DJTCXORXSA-N 0 0 613.475 4.909 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Cl)c3)c(=O)n2[C@H]1c1cccs1 ZINC000100838654 554486577 /nfs/dbraw/zinc/48/65/77/554486577.db2.gz XMHNBBAMPUVXRC-LMVGNEGFSA-N 0 0 603.125 4.984 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000100838656 554486587 /nfs/dbraw/zinc/48/65/87/554486587.db2.gz XMHNBBAMPUVXRC-JYXZFHPPSA-N 0 0 603.125 4.984 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100838979 554487037 /nfs/dbraw/zinc/48/70/37/554487037.db2.gz LWGROYJTYLNLDN-JGTYQCAFSA-N 0 0 555.439 4.984 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100838981 554487068 /nfs/dbraw/zinc/48/70/68/554487068.db2.gz LWGROYJTYLNLDN-LYRGBEMXSA-N 0 0 555.439 4.984 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100838984 554487072 /nfs/dbraw/zinc/48/70/72/554487072.db2.gz UHIMBWPDGUHFLP-GXPYYPFNSA-N 0 0 555.439 4.984 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100838986 554487056 /nfs/dbraw/zinc/48/70/56/554487056.db2.gz UHIMBWPDGUHFLP-QYAMMSNYSA-N 0 0 555.439 4.984 50 0 KJAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000100839219 554487070 /nfs/dbraw/zinc/48/70/70/554487070.db2.gz ARTZODRPXLFKLS-XXMKCSCWSA-N 0 0 540.707 4.683 50 0 KJAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000100839221 554487069 /nfs/dbraw/zinc/48/70/69/554487069.db2.gz ARTZODRPXLFKLS-XSZPGNIMSA-N 0 0 540.707 4.683 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(Cc5ccc(Cl)cc5)C4=O)c(=O)n32)cc1 ZINC000100839243 554487220 /nfs/dbraw/zinc/48/72/20/554487220.db2.gz WXQHZWHPVKWEPH-SUUDBTLLSA-N 0 0 614.123 4.766 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/c5ccccc5N(Cc5ccc(Cl)cc5)C4=O)c(=O)n32)cc1 ZINC000100839245 554487276 /nfs/dbraw/zinc/48/72/76/554487276.db2.gz WXQHZWHPVKWEPH-PGFYKJRFSA-N 0 0 614.123 4.766 50 0 KJAARN CCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)c(OC)c3)C(=O)c3ccccc3)C2=O)cc1 ZINC000100839467 554487457 /nfs/dbraw/zinc/48/74/57/554487457.db2.gz YDHIMSTWMSCLRT-VWLOTQADSA-N 0 0 516.594 4.510 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839552 554487465 /nfs/dbraw/zinc/48/74/65/554487465.db2.gz CECKXSMKEGIWRD-CRCYZHLCSA-N 0 0 593.057 4.646 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839556 554487509 /nfs/dbraw/zinc/48/75/09/554487509.db2.gz CECKXSMKEGIWRD-FQKMCRJQSA-N 0 0 593.057 4.646 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839564 554487596 /nfs/dbraw/zinc/48/75/96/554487596.db2.gz CTRJLQVWBGLHBO-CRCYZHLCSA-N 0 0 593.057 4.646 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839565 554487587 /nfs/dbraw/zinc/48/75/87/554487587.db2.gz CTRJLQVWBGLHBO-FQKMCRJQSA-N 0 0 593.057 4.646 50 0 KJAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000100839622 554487585 /nfs/dbraw/zinc/48/75/85/554487585.db2.gz IHXWXBUBFNGEFQ-UAMLYEQYSA-N 0 0 606.741 4.937 50 0 KJAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000100839623 554487594 /nfs/dbraw/zinc/48/75/94/554487594.db2.gz IHXWXBUBFNGEFQ-ITNPZBTBSA-N 0 0 606.741 4.937 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3cccc(Br)c3)sc2=N1 ZINC000100839624 554487633 /nfs/dbraw/zinc/48/76/33/554487633.db2.gz ZESGGPLGXIHCCS-YJADQXIJSA-N 0 0 551.487 4.803 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3cccc(Br)c3)sc2=N1 ZINC000100839626 554487607 /nfs/dbraw/zinc/48/76/07/554487607.db2.gz ZESGGPLGXIHCCS-XOYGFPHKSA-N 0 0 551.487 4.803 50 0 KJAARN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000100839641 554487659 /nfs/dbraw/zinc/48/76/59/554487659.db2.gz KLBGQQJVMKBCIK-ASSGYOTOSA-N 0 0 530.671 4.829 50 0 KJAARN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000100839644 554487615 /nfs/dbraw/zinc/48/76/15/554487615.db2.gz KLBGQQJVMKBCIK-OGRZUZBBSA-N 0 0 530.671 4.829 50 0 KJAARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n32)ccc1OC(C)=O ZINC000100840058 554488169 /nfs/dbraw/zinc/48/81/69/554488169.db2.gz NDGJEFPEKNFDMG-HGKWLZTNSA-N 0 0 589.497 4.675 50 0 KJAARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n32)ccc1OC(C)=O ZINC000100840059 554488205 /nfs/dbraw/zinc/48/82/05/554488205.db2.gz NDGJEFPEKNFDMG-FLWFWKMMSA-N 0 0 589.497 4.675 50 0 KJAARN CCOc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(C)c2)cc(OCC)c1OCC ZINC000100840369 554488732 /nfs/dbraw/zinc/48/87/32/554488732.db2.gz KEIPFILERYAATP-UHFFFAOYSA-N 0 0 596.735 4.889 50 0 KJAARN CCOc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc(OCC)c1OCC ZINC000100840372 554488801 /nfs/dbraw/zinc/48/88/01/554488801.db2.gz MQQUYDQDKSCXJC-UHFFFAOYSA-N 0 0 600.698 4.720 50 0 KJAARN CCOc1ccc(-n2c(CNC(=O)c3cc(OCC)c(OCC)c(OCC)c3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000100840373 554488745 /nfs/dbraw/zinc/48/87/45/554488745.db2.gz SNKJECIOXWJPMK-UHFFFAOYSA-N 0 0 626.761 4.979 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4F)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000100844451 554490857 /nfs/dbraw/zinc/49/08/57/554490857.db2.gz CQPIMQOIRZJVIB-BELIEFIBSA-N 0 0 547.380 4.870 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br ZINC000100844958 554490840 /nfs/dbraw/zinc/49/08/40/554490840.db2.gz UYWXKCLFANPCNP-WSOYEBOPSA-N 0 0 547.380 4.995 50 0 KJAARN Cn1c2c(ccc3ccccc23)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000100846758 554491482 /nfs/dbraw/zinc/49/14/82/554491482.db2.gz IBEBDCRHJUCVPU-ZIADKAODSA-N 0 0 513.644 4.881 50 0 KJAARN COc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(OC)c(Br)c4)c(=O)n3n2)cc1 ZINC000100847425 554491423 /nfs/dbraw/zinc/49/14/23/554491423.db2.gz YTWBZIYWGFTNKW-IWIPYMOSSA-N 0 0 586.471 4.998 50 0 KJAARN CCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)cc3)C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000100852988 554493083 /nfs/dbraw/zinc/49/30/83/554493083.db2.gz ZAZQFQAEJIFECL-VWLOTQADSA-N 0 0 506.986 4.764 50 0 KJAARN COc1cc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)ccc1OCc1ccccc1 ZINC000100858394 554494087 /nfs/dbraw/zinc/49/40/87/554494087.db2.gz LUTGJOBJGVOAMD-HYARGMPZSA-N 0 0 520.408 4.716 50 0 KJAARN CCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccc4c(c3)OCO4)C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000100861081 554495418 /nfs/dbraw/zinc/49/54/18/554495418.db2.gz XJVJENIKBGASAM-QHCPKHFHSA-N 0 0 520.969 4.832 50 0 KJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc4ccccc4c3n2C)cc1 ZINC000100861317 554495440 /nfs/dbraw/zinc/49/54/40/554495440.db2.gz NIISJAAXDOVSEG-DQSJHHFOSA-N 0 0 501.633 4.955 50 0 KJAARN Oc1c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Br)cc1 ZINC000100862417 554496073 /nfs/dbraw/zinc/49/60/73/554496073.db2.gz BKUHJRPGJCPZEQ-CTNGQTDRSA-N 0 0 525.200 4.994 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br ZINC000100866897 554497116 /nfs/dbraw/zinc/49/71/16/554497116.db2.gz QMTLYSXWZCMXNT-WSOYEBOPSA-N 0 0 529.390 4.856 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000100867274 554497101 /nfs/dbraw/zinc/49/71/01/554497101.db2.gz DENQBTIWMONPDN-BELIEFIBSA-N 0 0 547.380 4.870 50 0 KJAARN Cc1c(NC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc32)c(=O)n(-c2ccccc2)n1C ZINC000100867723 554497104 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OPKBAXSKUXHSNO-OHYPFYFLSA-N 0 0 517.632 4.709 50 0 KJAARN COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000100872802 554501651 /nfs/dbraw/zinc/50/16/51/554501651.db2.gz ZXYDOYVHSPLVFW-RFBIWTDZSA-N 0 0 523.661 4.771 50 0 KJAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1)n2CCOC ZINC000100873231 554502208 /nfs/dbraw/zinc/50/22/08/554502208.db2.gz GTFDGSXNXPKCMC-DQSJHHFOSA-N 0 0 547.743 4.792 50 0 KJAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)n2CCOC ZINC000100873232 554502271 /nfs/dbraw/zinc/50/22/71/554502271.db2.gz FNDHMBRITTZKAL-ZIADKAODSA-N 0 0 551.690 4.631 50 0 KJAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(CC)c3ccccc3)cc1)n2CCOC ZINC000100873251 554502301 /nfs/dbraw/zinc/50/23/01/554502301.db2.gz GTEBOZQCHQEQEC-DQSJHHFOSA-N 0 0 539.679 4.704 50 0 KJAARN CCOCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000100873268 554502342 /nfs/dbraw/zinc/50/23/42/554502342.db2.gz VHDRYMRGABHWBF-ZIADKAODSA-N 0 0 535.691 4.930 50 0 KJAARN CCOCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccccc2)cc1 ZINC000100873290 554502266 /nfs/dbraw/zinc/50/22/66/554502266.db2.gz XTPLNRLFKIDWAE-ZIADKAODSA-N 0 0 537.707 5.000 50 0 KJAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 ZINC000100873317 554502496 /nfs/dbraw/zinc/50/24/96/554502496.db2.gz KSQVVGXBUSQLKQ-GCXHJFECSA-N 0 0 540.575 4.913 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(F)c4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000100873874 554502840 /nfs/dbraw/zinc/50/28/40/554502840.db2.gz XRICBSHPLVJRLD-BELIEFIBSA-N 0 0 547.380 4.870 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2cccs2)CC1 ZINC000100878940 554505839 /nfs/dbraw/zinc/50/58/39/554505839.db2.gz MLQQQXLESPXLCM-UHFFFAOYSA-N 0 0 547.787 4.778 50 0 KJAARN CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2ccccc2Br)CC1)CC(C)C ZINC000100878944 554505867 /nfs/dbraw/zinc/50/58/67/554505867.db2.gz ZFKXTNRVHDFYPB-UHFFFAOYSA-N 0 0 592.600 4.780 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000100878955 554506104 /nfs/dbraw/zinc/50/61/04/554506104.db2.gz HZZGFKLICLIAGX-UHFFFAOYSA-N 0 0 559.748 4.855 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000100878980 554506108 /nfs/dbraw/zinc/50/61/08/554506108.db2.gz HEGZCMHNSDOTOX-UHFFFAOYSA-N 0 0 555.785 4.645 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)S(=O)(=O)CC ZINC000100879004 554506130 /nfs/dbraw/zinc/50/61/30/554506130.db2.gz VGRYMAXFBBPUNN-UHFFFAOYSA-N 0 0 568.567 4.997 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)c3ccccc3)CC2)C2CC2)cc1 ZINC000100879024 554506135 /nfs/dbraw/zinc/50/61/35/554506135.db2.gz VFDYPFWHYNRDBN-UHFFFAOYSA-N 0 0 563.695 4.621 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)Cc3ccccc3)CC2)C2CC2)cc1 ZINC000100879107 554506154 /nfs/dbraw/zinc/50/61/54/554506154.db2.gz CJKDEWRFRCQZKF-UHFFFAOYSA-N 0 0 577.722 4.550 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1)S(=O)(=O)c1ccccc1 ZINC000100879110 554506100 /nfs/dbraw/zinc/50/61/00/554506100.db2.gz KYENQPJAQDTJIZ-UHFFFAOYSA-N 0 0 551.684 4.560 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Cc2cccs2)CC1 ZINC000100879124 554506139 /nfs/dbraw/zinc/50/61/39/554506139.db2.gz KMSXXENREAIVMX-UHFFFAOYSA-N 0 0 561.814 4.707 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)CSc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100879128 554506106 /nfs/dbraw/zinc/50/61/06/554506106.db2.gz DQDYVXWBXWXEHE-UHFFFAOYSA-N 0 0 579.788 4.899 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)S(=O)(=O)CCC ZINC000100879137 554506142 /nfs/dbraw/zinc/50/61/42/554506142.db2.gz UZNSPUNGYUNEER-UHFFFAOYSA-N 0 0 552.112 4.564 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2ccccc2F)CC1 ZINC000100879141 554506122 /nfs/dbraw/zinc/50/61/22/554506122.db2.gz UMLWWKKDORZHKW-UHFFFAOYSA-N 0 0 559.748 4.855 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1)S(=O)(=O)CCC ZINC000100879191 554506467 /nfs/dbraw/zinc/50/64/67/554506467.db2.gz CEFKRTMLDVBRMY-UHFFFAOYSA-N 0 0 596.563 4.673 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)C(C)C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000100879263 554506432 /nfs/dbraw/zinc/50/64/32/554506432.db2.gz XKKDXVSALGFKIC-UHFFFAOYSA-N 0 0 548.149 4.725 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)S(=O)(=O)CC ZINC000100879327 554506469 /nfs/dbraw/zinc/50/64/69/554506469.db2.gz HZDAAEKTGJCHJK-UHFFFAOYSA-N 0 0 568.567 4.997 50 0 KJAARN COc1cc(/C=C2\SC(=O)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000100879336 554506418 /nfs/dbraw/zinc/50/64/18/554506418.db2.gz LMXPBMXPXODLRG-IWIPYMOSSA-N 0 0 602.090 4.640 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)CC ZINC000100879377 554506465 /nfs/dbraw/zinc/50/64/65/554506465.db2.gz JUEYFUPECDYGBW-UHFFFAOYSA-N 0 0 567.674 4.709 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2ccc3ccccc3c2)CC1)S(=O)(=O)CC ZINC000100879399 554506472 /nfs/dbraw/zinc/50/64/72/554506472.db2.gz OCVTXVCSESAATF-UHFFFAOYSA-N 0 0 549.737 4.843 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000100879470 554506641 /nfs/dbraw/zinc/50/66/41/554506641.db2.gz VWXOYEFLVKFYOS-UHFFFAOYSA-N 0 0 573.775 4.784 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000100879501 554506664 /nfs/dbraw/zinc/50/66/64/554506664.db2.gz ZPDWWUJIIMOEPB-UHFFFAOYSA-N 0 0 559.748 4.855 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1)S(=O)(=O)CCC ZINC000100879504 554506674 /nfs/dbraw/zinc/50/66/74/554506674.db2.gz RLTYJZHVQOTTDO-UHFFFAOYSA-N 0 0 596.563 4.673 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1)S(=O)(=O)CC ZINC000100879535 554506684 /nfs/dbraw/zinc/50/66/84/554506684.db2.gz ADXRBVQBJRNQSN-UHFFFAOYSA-N 0 0 555.785 4.988 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C)cc1 ZINC000100880211 554506703 /nfs/dbraw/zinc/50/67/03/554506703.db2.gz JRQQXVYGWQZMRE-UHFFFAOYSA-N 0 0 548.130 4.601 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)C2CC2)cc1 ZINC000100880328 554506657 /nfs/dbraw/zinc/50/66/57/554506657.db2.gz KZQYZCLMYDMMJE-UHFFFAOYSA-N 0 0 595.712 4.689 50 0 KJAARN CCCC(=O)N1CCC(N(Cc2cccc(Cl)c2)C(=O)CN(CCC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000100880367 554506688 /nfs/dbraw/zinc/50/66/88/554506688.db2.gz NJXIMWMKLMIRDD-UHFFFAOYSA-N 0 0 548.149 4.869 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)C(C)C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000100880417 554506988 /nfs/dbraw/zinc/50/69/88/554506988.db2.gz NDNVRBHDMBLKOW-UHFFFAOYSA-N 0 0 548.149 4.725 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)c3ccccc3F)CC2)C2CC2)cc1 ZINC000100880497 554506969 /nfs/dbraw/zinc/50/69/69/554506969.db2.gz FLBJYZACZYMGFA-UHFFFAOYSA-N 0 0 581.685 4.760 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)c3cccc(F)c3)CC2)C2CC2)cc1 ZINC000100880500 554506975 /nfs/dbraw/zinc/50/69/75/554506975.db2.gz VBGSFMLGLACQEL-UHFFFAOYSA-N 0 0 581.685 4.760 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)CC(C)(C)C)CC2)C2CC2)cc1 ZINC000100880508 554506978 /nfs/dbraw/zinc/50/69/78/554506978.db2.gz DHXVRADICYLHCV-UHFFFAOYSA-N 0 0 557.732 4.743 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)CC(C)C ZINC000100880515 554506930 /nfs/dbraw/zinc/50/69/30/554506930.db2.gz RXMGLTJDSOWNHI-UHFFFAOYSA-N 0 0 571.828 4.839 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)c3cccs3)CC2)C2CC2)cc1 ZINC000100880540 554506991 /nfs/dbraw/zinc/50/69/91/554506991.db2.gz QUIKRLKWDCNRKG-UHFFFAOYSA-N 0 0 569.724 4.682 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)CCc3ccccc3)CC2)C2CC2)cc1 ZINC000100880549 554506955 /nfs/dbraw/zinc/50/69/55/554506955.db2.gz LGUZHGTVUBCFEO-UHFFFAOYSA-N 0 0 591.749 4.940 50 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CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccccc1 ZINC000100880662 554507246 /nfs/dbraw/zinc/50/72/46/554507246.db2.gz QEOKXYPKGMXFFC-UHFFFAOYSA-N 0 0 557.713 4.622 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)CCc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100880674 554507249 /nfs/dbraw/zinc/50/72/49/554507249.db2.gz KZLGBKYWQAEAKY-UHFFFAOYSA-N 0 0 579.738 4.879 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccccc2F)CC1)S(=O)(=O)c1ccccc1 ZINC000100880690 554507247 /nfs/dbraw/zinc/50/72/47/554507247.db2.gz XNPIDDAIHKIVKO-UHFFFAOYSA-N 0 0 569.674 4.699 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2cccc(F)c2)CC1)S(=O)(=O)c1ccccc1 ZINC000100880694 554507248 /nfs/dbraw/zinc/50/72/48/554507248.db2.gz SOSZDBOCKNMZAR-UHFFFAOYSA-N 0 0 569.674 4.699 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)Cc2ccc(F)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100880719 554507235 /nfs/dbraw/zinc/50/72/35/554507235.db2.gz FLSWJSABHUCRSU-UHFFFAOYSA-N 0 0 583.701 4.628 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)C2CCCCC2)CC1)S(=O)(=O)c1ccccc1 ZINC000100880726 554507255 /nfs/dbraw/zinc/50/72/55/554507255.db2.gz VXDCMXQNFZLFKK-UHFFFAOYSA-N 0 0 557.732 4.827 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100880751 554507251 /nfs/dbraw/zinc/50/72/51/554507251.db2.gz MNJFSMPUKVDFQN-UHFFFAOYSA-N 0 0 551.684 4.560 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100880771 554507265 /nfs/dbraw/zinc/50/72/65/554507265.db2.gz FVIGADHEEOZTID-UHFFFAOYSA-N 0 0 565.711 4.868 50 0 KJAARN CC(C)CN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)C2CC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100880831 554507244 /nfs/dbraw/zinc/50/72/44/554507244.db2.gz KJZNBOQSYIFFOQ-UHFFFAOYSA-N 0 0 564.123 4.556 50 0 KJAARN O=C(N[C@H](C(=O)c1ccccc1)N(Cc1ccco1)[C@H](NC(=O)c1ccco1)C(=O)c1ccccc1)c1ccco1 ZINC000100880850 554507571 /nfs/dbraw/zinc/50/75/71/554507571.db2.gz AZADBCQBFAABLP-VMPREFPWSA-N 0 0 551.555 4.546 50 0 KJAARN O=C(N[C@@H](C(=O)c1ccccc1)N(Cc1ccco1)[C@H](NC(=O)c1ccco1)C(=O)c1ccccc1)c1ccco1 ZINC000100880853 554507543 /nfs/dbraw/zinc/50/75/43/554507543.db2.gz AZADBCQBFAABLP-ISILISOKSA-N 0 0 551.555 4.546 50 0 KJAARN O=C(N[C@@H](C(=O)c1ccccc1)N(Cc1ccco1)[C@@H](NC(=O)c1ccco1)C(=O)c1ccccc1)c1ccco1 ZINC000100880857 554507508 /nfs/dbraw/zinc/50/75/08/554507508.db2.gz AZADBCQBFAABLP-FQLXRVMXSA-N 0 0 551.555 4.546 50 0 KJAARN Cc1ccc(C(=O)N2CCC(N(Cc3ccc(F)cc3)C(=O)CN(C3CC3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000100880861 554507513 /nfs/dbraw/zinc/50/75/13/554507513.db2.gz UAOWGLQGWOPEDW-UHFFFAOYSA-N 0 0 577.722 4.929 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)CC(C)C ZINC000100880864 554507531 /nfs/dbraw/zinc/50/75/31/554507531.db2.gz OZSMCUYUCRSGKE-UHFFFAOYSA-N 0 0 548.149 4.590 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100881115 554507561 /nfs/dbraw/zinc/50/75/61/554507561.db2.gz KXTVJANGVWPUQJ-UHFFFAOYSA-N 0 0 551.684 4.560 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2ccc(C)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100881134 554507511 /nfs/dbraw/zinc/50/75/11/554507511.db2.gz URACNIVFGGGTRV-UHFFFAOYSA-N 0 0 547.721 4.729 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2ccccc2C)CC1)S(=O)(=O)c1ccccc1 ZINC000100881231 554507538 /nfs/dbraw/zinc/50/75/38/554507538.db2.gz UZGFCTVGBQJHCM-UHFFFAOYSA-N 0 0 547.721 4.729 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2ccccc2F)CC1)S(=O)(=O)c1ccccc1 ZINC000100881252 554507586 /nfs/dbraw/zinc/50/75/86/554507586.db2.gz WFDKEYMCMRMCRC-UHFFFAOYSA-N 0 0 551.684 4.560 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100881273 554507501 /nfs/dbraw/zinc/50/75/01/554507501.db2.gz OBEXJMQWTDCPLG-UHFFFAOYSA-N 0 0 561.748 4.740 50 0 KJAARN CCC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000100881306 554507583 /nfs/dbraw/zinc/50/75/83/554507583.db2.gz PBQDARSJDYEXDO-UHFFFAOYSA-N 0 0 552.112 4.556 50 0 KJAARN CCCC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000100881311 554507488 /nfs/dbraw/zinc/50/74/88/554507488.db2.gz IOZZSLZHEIIGNZ-UHFFFAOYSA-N 0 0 566.139 4.946 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)C3CCCCC3)CC2)C2CC2)cc1 ZINC000100881365 554507756 /nfs/dbraw/zinc/50/77/56/554507756.db2.gz FVBRINOUASYPNB-UHFFFAOYSA-N 0 0 569.743 4.887 50 0 KJAARN CC(C)CN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)C(C)C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100881380 554507750 /nfs/dbraw/zinc/50/77/50/554507750.db2.gz XZZSGOHISOJLLV-UHFFFAOYSA-N 0 0 566.139 4.802 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1)CC(C)C ZINC000100881403 554507720 /nfs/dbraw/zinc/50/77/20/554507720.db2.gz TUQCEBFTIQDZBX-UHFFFAOYSA-N 0 0 548.149 4.590 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4F)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br ZINC000100881973 554507804 /nfs/dbraw/zinc/50/78/04/554507804.db2.gz LRPQLIFIQYMTRH-WSOYEBOPSA-N 0 0 547.380 4.995 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3scc(Br)c3n2Cc2cc(OC)cc(OC)c2)C1 ZINC000100883624 554507796 /nfs/dbraw/zinc/50/77/96/554507796.db2.gz GAWXMHUTQCRLGX-MRXNPFEDSA-N 0 0 535.460 4.946 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3scc(Br)c3n2Cc2cc(OC)cc(OC)c2)C1 ZINC000100883626 554507824 /nfs/dbraw/zinc/50/78/24/554507824.db2.gz GAWXMHUTQCRLGX-INIZCTEOSA-N 0 0 535.460 4.946 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000100884537 554508359 /nfs/dbraw/zinc/50/83/59/554508359.db2.gz DPIILNZNFWKIJH-VPBXCIAMSA-N 0 0 529.390 4.730 50 0 KJAARN COc1ccc(-n2c(/C=C/c3ccc4c(c3)OCO4)nc3ccc(I)cc3c2=O)cc1 ZINC000100885273 554508442 /nfs/dbraw/zinc/50/84/42/554508442.db2.gz MVFWKJNSFQIHBD-QDEBKDIKSA-N 0 0 524.314 4.898 50 0 KJAARN COc1ccc(CCn2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs/c2=N\c2ccccc2)cc1OC ZINC000100886792 554508724 /nfs/dbraw/zinc/50/87/24/554508724.db2.gz RVOABKJESPPQNK-FLWNBWAVSA-N 0 0 565.717 4.730 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)NC2CCCCC2)CC1)S(=O)(=O)c1ccccc1 ZINC000100888328 554509433 /nfs/dbraw/zinc/50/94/33/554509433.db2.gz XYHNIVSNXHYXKG-UHFFFAOYSA-N 0 0 554.757 4.623 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)Nc2c(C)cccc2C)CC1)CC(C)C ZINC000100888338 554509435 /nfs/dbraw/zinc/50/94/35/554509435.db2.gz DZVFDKYKZLOXNB-UHFFFAOYSA-N 0 0 556.773 4.945 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100888351 554509468 /nfs/dbraw/zinc/50/94/68/554509468.db2.gz HROAMPXSDWXNSQ-UHFFFAOYSA-N 0 0 548.709 4.813 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1)CC(C)C ZINC000100888365 554509470 /nfs/dbraw/zinc/50/94/70/554509470.db2.gz UNJOYWSKTNZYCM-UHFFFAOYSA-N 0 0 564.699 4.606 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000100888377 554509457 /nfs/dbraw/zinc/50/94/57/554509457.db2.gz OTYRPXDPCUDTFA-UHFFFAOYSA-N 0 0 548.492 4.542 50 0 KJAARN CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)Nc2ccccc2CC)CC1)CC(C)C ZINC000100888651 554509744 /nfs/dbraw/zinc/50/97/44/554509744.db2.gz YFATVBJTQZTSJZ-UHFFFAOYSA-N 0 0 556.773 4.972 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)NCc3ccccc3)CC2)C2CC2)cc1 ZINC000100888652 554509784 /nfs/dbraw/zinc/50/97/84/554509784.db2.gz LRGCUCHZFNFNBH-UHFFFAOYSA-N 0 0 592.737 4.690 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)NC3CCCCC3)CC2)C2CC2)cc1 ZINC000100888665 554509750 /nfs/dbraw/zinc/50/97/50/554509750.db2.gz RVTPFUZHBHPRMF-UHFFFAOYSA-N 0 0 584.758 4.823 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)NC2CCCCC2)CC1)S(=O)(=O)c1ccccc1 ZINC000100888682 554509777 /nfs/dbraw/zinc/50/97/77/554509777.db2.gz BPHBDGNBLQILNV-UHFFFAOYSA-N 0 0 572.747 4.762 50 0 KJAARN CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)Nc2ccc(CC)cc2)CC1)CC(C)C ZINC000100888694 554509706 /nfs/dbraw/zinc/50/97/06/554509706.db2.gz JRRHLSCRCFKESS-UHFFFAOYSA-N 0 0 556.773 4.972 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000100888811 554510027 /nfs/dbraw/zinc/51/00/27/554510027.db2.gz OXQYUZPPJDGHCS-UHFFFAOYSA-N 0 0 562.821 4.918 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)NCc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000100888858 554509996 /nfs/dbraw/zinc/50/99/96/554509996.db2.gz MEGCZOAERJJLBK-UHFFFAOYSA-N 0 0 580.726 4.629 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000100888888 554509954 /nfs/dbraw/zinc/50/99/54/554509954.db2.gz MFIAMISHLMVKKZ-UHFFFAOYSA-N 0 0 570.800 4.786 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1)S(=O)(=O)CCC ZINC000100889234 554510733 /nfs/dbraw/zinc/51/07/33/554510733.db2.gz VMWHKQNGFSVZKY-UHFFFAOYSA-N 0 0 568.662 4.581 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2C)CC1)S(=O)(=O)CCC ZINC000100889236 554510706 /nfs/dbraw/zinc/51/07/06/554510706.db2.gz RWSDANNSBLOBSX-UHFFFAOYSA-N 0 0 546.709 4.611 50 0 KJAARN 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CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1ccc(OC)cc1 ZINC000100943614 554533386 /nfs/dbraw/zinc/53/33/86/554533386.db2.gz BIXUULFMQTUNHR-AREMUKBSSA-N 0 0 503.624 4.887 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccc(OC)cc1 ZINC000100943619 554533409 /nfs/dbraw/zinc/53/34/09/554533409.db2.gz BIXUULFMQTUNHR-SANMLTNESA-N 0 0 503.624 4.887 50 0 KJAARN CC(C)N(CCN(C(C)C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000100944875 554533324 /nfs/dbraw/zinc/53/33/24/554533324.db2.gz KOSJPLPZRXUDHV-UHFFFAOYSA-N 0 0 592.580 4.982 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1ccc(C)cc1 ZINC000100945223 554533744 /nfs/dbraw/zinc/53/37/44/554533744.db2.gz KFHUFAUWZAAMSN-WNCULLNHSA-N 0 0 517.651 4.956 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1ccc(C)cc1 ZINC000100945226 554533720 /nfs/dbraw/zinc/53/37/20/554533720.db2.gz KFHUFAUWZAAMSN-HOFKKMOUSA-N 0 0 517.651 4.956 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(C)cc1 ZINC000100945230 554533706 /nfs/dbraw/zinc/53/37/06/554533706.db2.gz KFHUFAUWZAAMSN-YIXXDRMTSA-N 0 0 517.651 4.956 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1ccc(C)cc1 ZINC000100945235 554533694 /nfs/dbraw/zinc/53/36/94/554533694.db2.gz KFHUFAUWZAAMSN-KCWPFWIISA-N 0 0 517.651 4.956 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCOC)N2[C@@H]1c1ccc(Cl)cc1 ZINC000100945253 554533731 /nfs/dbraw/zinc/53/37/31/554533731.db2.gz GJLLKNGFMZJKDX-XMMPIXPASA-N 0 0 512.031 4.768 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCOC)N2[C@H]1c1ccc(Cl)cc1 ZINC000100945254 554533746 /nfs/dbraw/zinc/53/37/46/554533746.db2.gz GJLLKNGFMZJKDX-DEOSSOPVSA-N 0 0 512.031 4.768 50 0 KJAARN COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cc(C)ccc3C)N12 ZINC000100945751 554533763 /nfs/dbraw/zinc/53/37/63/554533763.db2.gz OBAYDOPGAKMNMY-AREMUKBSSA-N 0 0 505.640 4.774 50 0 KJAARN COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cc(C)ccc3C)N12 ZINC000100945752 554533734 /nfs/dbraw/zinc/53/37/34/554533734.db2.gz OBAYDOPGAKMNMY-SANMLTNESA-N 0 0 505.640 4.774 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100945888 554533993 /nfs/dbraw/zinc/53/39/93/554533993.db2.gz YSKHSLPICCKGGY-RDPSFJRHSA-N 0 0 509.653 4.752 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)N2C(CC(=O)NC[C@@H]3CCCO3)=CSC2=N1 ZINC000100945889 554533965 /nfs/dbraw/zinc/53/39/65/554533965.db2.gz YSKHSLPICCKGGY-GBXCKJPGSA-N 0 0 509.653 4.752 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)N2C(CC(=O)NC[C@H]3CCCO3)=CSC2=N1 ZINC000100945892 554533979 /nfs/dbraw/zinc/53/39/79/554533979.db2.gz YSKHSLPICCKGGY-YKSBVNFPSA-N 0 0 509.653 4.752 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)N2C(CC(=O)NC[C@H]3CCCO3)=CSC2=N1 ZINC000100945896 554533999 /nfs/dbraw/zinc/53/39/99/554533999.db2.gz YSKHSLPICCKGGY-HYBUGGRVSA-N 0 0 509.653 4.752 50 0 KJAARN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C(F)(F)F)N=C2SC=C(CC(=O)NCC3CC3)N21 ZINC000100946116 554534291 /nfs/dbraw/zinc/53/42/91/554534291.db2.gz WPLQHOKTSFOYLR-HXUWFJFHSA-N 0 0 509.550 4.680 50 0 KJAARN COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C(F)(F)F)N=C2SC=C(CC(=O)NCC3CC3)N21 ZINC000100946119 554534301 /nfs/dbraw/zinc/53/43/01/554534301.db2.gz WPLQHOKTSFOYLR-FQEVSTJZSA-N 0 0 509.550 4.680 50 0 KJAARN COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C(F)(F)F)N=C2SC=C(CC(=O)NCC(C)C)N21 ZINC000100946225 554534275 /nfs/dbraw/zinc/53/42/75/554534275.db2.gz JVSSLQVCDPEUCZ-FQEVSTJZSA-N 0 0 511.566 4.926 50 0 KJAARN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C(F)(F)F)N=C2SC=C(CC(=O)NCC(C)C)N21 ZINC000100946228 554534312 /nfs/dbraw/zinc/53/43/12/554534312.db2.gz JVSSLQVCDPEUCZ-HXUWFJFHSA-N 0 0 511.566 4.926 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCc3ccccc3)N2[C@H]1c1ccccc1 ZINC000100946671 554534547 /nfs/dbraw/zinc/53/45/47/554534547.db2.gz CHTLFMXWTIEGGA-SANMLTNESA-N 0 0 505.640 4.590 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCc3ccccc3)N2[C@@H]1c1ccccc1 ZINC000100946673 554534482 /nfs/dbraw/zinc/53/44/82/554534482.db2.gz CHTLFMXWTIEGGA-AREMUKBSSA-N 0 0 505.640 4.590 50 0 KJAARN COC(=O)c1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 ZINC000100947313 554535545 /nfs/dbraw/zinc/53/55/45/554535545.db2.gz OAADHYGJFIIXES-SSEXGKCCSA-N 0 0 560.610 4.996 50 0 KJAARN COC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 ZINC000100947316 554535498 /nfs/dbraw/zinc/53/54/98/554535498.db2.gz OAADHYGJFIIXES-PMERELPUSA-N 0 0 560.610 4.996 50 0 KJAARN Cc1ccccc1C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000100947405 554535786 /nfs/dbraw/zinc/53/57/86/554535786.db2.gz KKHICZAXCWYSMR-SSEXGKCCSA-N 0 0 546.583 4.938 50 0 KJAARN Cc1ccccc1C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000100947408 554535800 /nfs/dbraw/zinc/53/58/00/554535800.db2.gz KKHICZAXCWYSMR-PMERELPUSA-N 0 0 546.583 4.938 50 0 KJAARN 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COc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc(Oc5ccccc5)cc4)CC3)n2)cc1 ZINC000100956893 554539854 /nfs/dbraw/zinc/53/98/54/554539854.db2.gz UWHQUFGMZJYMMJ-UHFFFAOYSA-N 0 0 531.638 4.840 50 0 KJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000100957725 554540669 /nfs/dbraw/zinc/54/06/69/554540669.db2.gz HAVYJQLKWHAPOS-UHFFFAOYSA-N 0 0 535.411 4.534 50 0 KJAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000100957753 554540624 /nfs/dbraw/zinc/54/06/24/554540624.db2.gz SOTRRPBCOHGXQD-UHFFFAOYSA-N 0 0 549.438 4.924 50 0 KJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000100957834 554540910 /nfs/dbraw/zinc/54/09/10/554540910.db2.gz ROLHHOHQAOIQRW-UHFFFAOYSA-N 0 0 537.427 4.780 50 0 KJAARN O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100958111 554541141 /nfs/dbraw/zinc/54/11/41/554541141.db2.gz FBGZRURYZDESCF-UHFFFAOYSA-N 0 0 531.103 4.804 50 0 KJAARN CCCCOc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(OC)cc4)N4N=Cc5ccccc5[C@@H]34)C2O)cc1 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554546830 /nfs/dbraw/zinc/54/68/30/554546830.db2.gz GEXPPIOUTFNIHF-JUDWXZBOSA-N 0 0 501.542 4.610 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1 ZINC000100975973 554547012 /nfs/dbraw/zinc/54/70/12/554547012.db2.gz GEXPPIOUTFNIHF-WXIAYYLYSA-N 0 0 501.542 4.610 50 0 KJAARN O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000100976399 554546986 /nfs/dbraw/zinc/54/69/86/554546986.db2.gz LOTAWQILTAROKR-GTUSSPTASA-N 0 0 534.056 4.791 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1 ZINC000100983186 554547902 /nfs/dbraw/zinc/54/79/02/554547902.db2.gz CPBUKHACLUUXHH-UEQSERJNSA-N 0 0 520.372 4.764 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1 ZINC000100983191 554547950 /nfs/dbraw/zinc/54/79/50/554547950.db2.gz CPBUKHACLUUXHH-NAVOZUGXSA-N 0 0 520.372 4.764 50 0 KJAARN COc1cccc(-n2c(/C=C/c3ccc4c(c3)OCO4)nc3ccc(I)cc3c2=O)c1 ZINC000100986838 554548736 /nfs/dbraw/zinc/54/87/36/554548736.db2.gz DAFAREVYFHRCNE-UXBLZVDNSA-N 0 0 524.314 4.898 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4cc5cccc(OC)c5o4)cs3)CC2)cc1 ZINC000100987845 554548866 /nfs/dbraw/zinc/54/88/66/554548866.db2.gz IKWDXJLFTAWBRA-UHFFFAOYSA-N 0 0 527.624 4.613 50 0 KJAARN COc1ccc2sc(N(Cc3ccccn3)C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc2c1 ZINC000100988453 554549230 /nfs/dbraw/zinc/54/92/30/554549230.db2.gz NAQYDRPAGGQDFT-FQEVSTJZSA-N 0 0 528.681 4.538 50 0 KJAARN COc1ccc2sc(N(Cc3ccccn3)C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc2c1 ZINC000100988455 554549193 /nfs/dbraw/zinc/54/91/93/554549193.db2.gz NAQYDRPAGGQDFT-HXUWFJFHSA-N 0 0 528.681 4.538 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000100993319 554550617 /nfs/dbraw/zinc/55/06/17/554550617.db2.gz UDKJEGLIJYZJAM-UHFFFAOYSA-N 0 0 560.632 4.759 50 0 KJAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000100993743 554550634 /nfs/dbraw/zinc/55/06/34/554550634.db2.gz LXRAGQXXDXMMOD-ASDGIDEWSA-N 0 0 512.949 4.538 50 0 KJAARN O=C(NCCn1ncc2c1ncn(Cc1cccc(C(F)(F)F)c1)c2=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000101008279 554556554 /nfs/dbraw/zinc/55/65/54/554556554.db2.gz MJUINIGHMMHMMB-UHFFFAOYSA-N 0 0 543.977 4.942 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)Nc3cc(F)ccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000101009223 554557252 /nfs/dbraw/zinc/55/72/52/554557252.db2.gz ICBIICATXHPXBB-HHHXNRCGSA-N 0 0 539.579 4.868 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)Nc3cc(F)ccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000101009224 554557221 /nfs/dbraw/zinc/55/72/21/554557221.db2.gz ICBIICATXHPXBB-MHZLTWQESA-N 0 0 539.579 4.868 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000101009320 554557241 /nfs/dbraw/zinc/55/72/41/554557241.db2.gz JWROOCOJDKFCPT-NDEPHWFRSA-N 0 0 552.071 4.921 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000101009322 554557182 /nfs/dbraw/zinc/55/71/82/554557182.db2.gz JWROOCOJDKFCPT-MUUNZHRXSA-N 0 0 552.071 4.921 50 0 KJAARN COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)NCc1ccccc1 ZINC000101010066 554557391 /nfs/dbraw/zinc/55/73/91/554557391.db2.gz HYIBIGKUKCLKIH-UHFFFAOYSA-N 0 0 553.725 4.893 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)NCc3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000101010490 554557625 /nfs/dbraw/zinc/55/76/25/554557625.db2.gz ZBXHUKBMDBXYAE-MUUNZHRXSA-N 0 0 552.071 4.921 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)NCc3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000101010492 554557663 /nfs/dbraw/zinc/55/76/63/554557663.db2.gz ZBXHUKBMDBXYAE-NDEPHWFRSA-N 0 0 552.071 4.921 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000101011020 554557840 /nfs/dbraw/zinc/55/78/40/554557840.db2.gz IQPTWCIWZSHNOD-HHHXNRCGSA-N 0 0 539.579 4.868 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000101011023 554557889 /nfs/dbraw/zinc/55/78/89/554557889.db2.gz IQPTWCIWZSHNOD-MHZLTWQESA-N 0 0 539.579 4.868 50 0 KJAARN COc1c(I)cc(I)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000101016656 554560406 /nfs/dbraw/zinc/56/04/06/554560406.db2.gz IKDMXHJNFYBXLQ-BCTVWOGZSA-N 0 0 580.229 4.945 50 0 KJAARN COc1c(I)cc(I)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000101016660 554560407 /nfs/dbraw/zinc/56/04/07/554560407.db2.gz IKDMXHJNFYBXLQ-PWJLMRLQSA-N 0 0 580.229 4.945 50 0 KJAARN COc1c(I)cc(I)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000101016663 554560434 /nfs/dbraw/zinc/56/04/34/554560434.db2.gz IKDMXHJNFYBXLQ-VPTHRUTESA-N 0 0 580.229 4.945 50 0 KJAARN COc1c(I)cc(I)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000101016664 554560411 /nfs/dbraw/zinc/56/04/11/554560411.db2.gz IKDMXHJNFYBXLQ-ZKANADHPSA-N 0 0 580.229 4.945 50 0 KJAARN COc1cc(-c2cc(OC)c(OC)c(OC)c2I)c(I)c(OC)c1OC ZINC000101020321 554561487 /nfs/dbraw/zinc/56/14/87/554561487.db2.gz QQIJGDULGGKJKG-UHFFFAOYSA-N 0 0 586.160 4.614 50 0 KJAARN CC1(C)C[C@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)N5CCC(O)(c6ccc(Cl)cc6)CC5)C4)c3C2=O)CCO1 ZINC000101024930 554563417 /nfs/dbraw/zinc/56/34/17/554563417.db2.gz VCSQHVFZFYNVCP-XUZZJYLKSA-N 0 0 580.125 4.620 50 0 KJAARN CC1(C)C[C@@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)N5CCC(O)(c6ccc(Cl)cc6)CC5)C4)c3C2=O)CCO1 ZINC000101024933 554563438 /nfs/dbraw/zinc/56/34/38/554563438.db2.gz VCSQHVFZFYNVCP-URXFXBBRSA-N 0 0 580.125 4.620 50 0 KJAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCCOc1cccc(C)c1 ZINC000101025142 554563460 /nfs/dbraw/zinc/56/34/60/554563460.db2.gz OEIWYCUNVBORPY-HAHDFKILSA-N 0 0 537.435 4.994 50 0 KJAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OCCOc1ccccc1 ZINC000101027711 554564379 /nfs/dbraw/zinc/56/43/79/554564379.db2.gz VOOPADYRMRUWOW-PXLXIMEGSA-N 0 0 523.408 4.686 50 0 KJAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCCOc1ccc(C)cc1 ZINC000101028137 554564411 /nfs/dbraw/zinc/56/44/11/554564411.db2.gz IKYBEFUWARWMBE-HAHDFKILSA-N 0 0 537.435 4.994 50 0 KJAARN O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000101029632 554564885 /nfs/dbraw/zinc/56/48/85/554564885.db2.gz MNZGUUHIHQPLSG-UHFFFAOYSA-N 0 0 563.177 4.723 50 0 KJAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCCOc1ccc(Br)cc1 ZINC000101029751 554564850 /nfs/dbraw/zinc/56/48/50/554564850.db2.gz GFVVRAYQCVUJSH-HAHDFKILSA-N 0 0 523.408 4.686 50 0 KJAARN CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2)cc1 ZINC000101030097 554564941 /nfs/dbraw/zinc/56/49/41/554564941.db2.gz VTJHOKMHUSCEIT-UHFFFAOYSA-N 0 0 535.466 4.937 50 0 KJAARN CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OCC)CC1 ZINC000101030207 554564864 /nfs/dbraw/zinc/56/48/64/554564864.db2.gz YXYUDZQEZIODGG-UHFFFAOYSA-N 0 0 552.759 4.816 50 0 KJAARN CC(=O)c1cccc(NS(=O)(=O)c2cccc3c2cccc3S(=O)(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000101031009 554565145 /nfs/dbraw/zinc/56/51/45/554565145.db2.gz DRRJGBIQJDGMJQ-UHFFFAOYSA-N 0 0 522.604 4.847 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000101031049 554565160 /nfs/dbraw/zinc/56/51/60/554565160.db2.gz OHQQKXMKGODLBG-HXUWFJFHSA-N 0 0 524.526 4.641 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000101031051 554565105 /nfs/dbraw/zinc/56/51/05/554565105.db2.gz OHQQKXMKGODLBG-FQEVSTJZSA-N 0 0 524.526 4.641 50 0 KJAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)c(C)cc2OC)[C@H](C)C1 ZINC000101032159 554565155 /nfs/dbraw/zinc/56/51/55/554565155.db2.gz PUEKRAILLXPWRB-OAQYLSRUSA-N 0 0 552.759 4.651 50 0 KJAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)/C=C/c3ccc(OC)c(OC)c3)co2)s1 ZINC000101036469 554565538 /nfs/dbraw/zinc/56/55/38/554565538.db2.gz WOZFQTZRVAWHKC-CSKARUKUSA-N 0 0 545.639 4.794 50 0 KJAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)co2)s1 ZINC000101036474 554565521 /nfs/dbraw/zinc/56/55/21/554565521.db2.gz QDTYOHXLPJBGMV-CMDGGOBGSA-N 0 0 575.665 4.803 50 0 KJAARN O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000101040788 554567578 /nfs/dbraw/zinc/56/75/78/554567578.db2.gz FGKJHNSWEXUVAY-UHFFFAOYSA-N 0 0 542.690 4.897 50 0 KJAARN CC(=O)Oc1cccc2c1N1C(C(=O)c3ccccc3)=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]1C=C2 ZINC000101041741 554567539 /nfs/dbraw/zinc/56/75/39/554567539.db2.gz TXWBUKOFJYRADF-FNFLUXIASA-N 0 0 512.949 4.538 50 0 KJAARN CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4c5ccccc5C=C[C@H]34)C2O)cc1 ZINC000101042774 554567970 /nfs/dbraw/zinc/56/79/70/554567970.db2.gz MRUBJMBPPSEFIT-RCOXAODPSA-N 0 0 510.546 4.509 50 0 KJAARN CCOC(=O)c1sc2nc(CN(CC(C)C)C[C@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C(C)C ZINC000101043938 554568165 /nfs/dbraw/zinc/56/81/65/554568165.db2.gz WPELDMNYQOCOPH-SFHVURJKSA-N 0 0 536.094 4.836 50 0 KJAARN CCOC(=O)c1sc2nc(CN(CC(C)C)C[C@@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C(C)C ZINC000101043942 554568144 /nfs/dbraw/zinc/56/81/44/554568144.db2.gz WPELDMNYQOCOPH-GOSISDBHSA-N 0 0 536.094 4.836 50 0 KJAARN CCNC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)n2)C[C@@H]1C ZINC000101044857 554568466 /nfs/dbraw/zinc/56/84/66/554568466.db2.gz KESPJZLIUMZTSF-REWPJTCUSA-N 0 0 553.132 4.562 50 0 KJAARN CCNC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)n2)C[C@H]1C ZINC000101044863 554568398 /nfs/dbraw/zinc/56/83/98/554568398.db2.gz KESPJZLIUMZTSF-OFNKIYASSA-N 0 0 553.132 4.562 50 0 KJAARN CC1(C)Cc2c(sc3c2c2nc(-c4ccco4)nn2c(=O)n3CC(=O)c2ccc(Br)cc2)CO1 ZINC000101045881 554568472 /nfs/dbraw/zinc/56/84/72/554568472.db2.gz MDKNCZQANLZASQ-UHFFFAOYSA-N 0 0 539.411 4.862 50 0 KJAARN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101054572 554569229 /nfs/dbraw/zinc/56/92/29/554569229.db2.gz YSHCDVHRSBXTKW-ZLNRFVROSA-N 0 0 509.356 4.517 50 0 KJAARN C[C@@H](NC(=O)CCCCCCCCC(=O)N[C@@H](C)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000101057653 554569703 /nfs/dbraw/zinc/56/97/03/554569703.db2.gz PZRMTWUETISIOM-OPQYHKBDSA-N 0 0 524.658 4.797 50 0 KJAARN Cc1cc(Br)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000101059515 554569935 /nfs/dbraw/zinc/56/99/35/554569935.db2.gz AVQKJMGHMVBCSS-GFCCVEGCSA-N 0 0 522.284 4.621 50 0 KJAARN Cc1cc(Br)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000101059516 554569914 /nfs/dbraw/zinc/56/99/14/554569914.db2.gz AVQKJMGHMVBCSS-LBPRGKRZSA-N 0 0 522.284 4.621 50 0 KJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1)c1ccc(Br)cc1 ZINC000101066010 554573039 /nfs/dbraw/zinc/57/30/39/554573039.db2.gz ZKLNFCSYJVAIIS-IBGZPJMESA-N 0 0 551.422 4.676 50 0 KJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1)c1ccc(Br)cc1 ZINC000101066012 554573103 /nfs/dbraw/zinc/57/31/03/554573103.db2.gz ZKLNFCSYJVAIIS-LJQANCHMSA-N 0 0 551.422 4.676 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000101066237 554573093 /nfs/dbraw/zinc/57/30/93/554573093.db2.gz BWYWGKKMHIGTPR-UHFFFAOYSA-N 0 0 536.426 4.507 50 0 KJAARN CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3Cc3cccnc3)c2)CC1 ZINC000101066312 554573147 /nfs/dbraw/zinc/57/31/47/554573147.db2.gz BXERQLDIQIDHKT-YCNYHXFESA-N 0 0 562.717 4.856 50 0 KJAARN C[C@@H](c1nnc(SCC(=O)Nc2ccc(Br)c3ccccc23)n1C)N1C(=O)COc2ccccc21 ZINC000101068829 554573554 /nfs/dbraw/zinc/57/35/54/554573554.db2.gz ISJSOBUYXQQSNO-HNNXBMFYSA-N 0 0 552.454 4.948 50 0 KJAARN C[C@H](c1nnc(SCC(=O)Nc2ccc(Br)c3ccccc23)n1C)N1C(=O)COc2ccccc21 ZINC000101068832 554573644 /nfs/dbraw/zinc/57/36/44/554573644.db2.gz ISJSOBUYXQQSNO-OAHLLOKOSA-N 0 0 552.454 4.948 50 0 KJAARN C[C@@H](c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C)N1C(=O)COc2ccccc21 ZINC000101068944 554573764 /nfs/dbraw/zinc/57/37/64/554573764.db2.gz CSBSBQNZVRFMNA-LBPRGKRZSA-N 0 0 525.940 4.705 50 0 KJAARN C[C@H](c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C)N1C(=O)COc2ccccc21 ZINC000101068949 554573795 /nfs/dbraw/zinc/57/37/95/554573795.db2.gz CSBSBQNZVRFMNA-GFCCVEGCSA-N 0 0 525.940 4.705 50 0 KJAARN C[C@@H](c1nnc(SCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)n1C)N1C(=O)COc2ccccc21 ZINC000101068954 554573719 /nfs/dbraw/zinc/57/37/19/554573719.db2.gz ZEQSPJWFNQCRNK-KRWDZBQOSA-N 0 0 540.605 4.841 50 0 KJAARN C[C@H](c1nnc(SCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)n1C)N1C(=O)COc2ccccc21 ZINC000101068956 554573793 /nfs/dbraw/zinc/57/37/93/554573793.db2.gz ZEQSPJWFNQCRNK-QGZVFWFLSA-N 0 0 540.605 4.841 50 0 KJAARN Oc1c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Br)cc1 ZINC000101070625 554575030 /nfs/dbraw/zinc/57/50/30/554575030.db2.gz BKUHJRPGJCPZEQ-TZIWHRDSSA-N 0 0 525.200 4.994 50 0 KJAARN Oc1c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Br)cc1 ZINC000101070628 554575010 /nfs/dbraw/zinc/57/50/10/554575010.db2.gz BKUHJRPGJCPZEQ-PZJWPPBQSA-N 0 0 525.200 4.994 50 0 KJAARN Oc1c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Br)cc1 ZINC000101070629 554575033 /nfs/dbraw/zinc/57/50/33/554575033.db2.gz BKUHJRPGJCPZEQ-FPOVZHCZSA-N 0 0 525.200 4.994 50 0 KJAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000101070999 554575193 /nfs/dbraw/zinc/57/51/93/554575193.db2.gz FZUMCLMHZQNJCF-FJWZAKCXSA-N 0 0 534.435 4.538 50 0 KJAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000101071002 554575244 /nfs/dbraw/zinc/57/52/44/554575244.db2.gz FZUMCLMHZQNJCF-RQLGBQGVSA-N 0 0 534.435 4.538 50 0 KJAARN Cn1c2ccc(/C=C3/SC(=O)N(CC(=O)N4c5ccccc5Sc5ccccc54)C3=O)cc2n(C)c1=O ZINC000101072917 554576568 /nfs/dbraw/zinc/57/65/68/554576568.db2.gz PCKLQAJZJZQYAX-OEAKJJBVSA-N 0 0 528.615 4.743 50 0 KJAARN Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(Br)cc2)CC1 ZINC000101074510 554576784 /nfs/dbraw/zinc/57/67/84/554576784.db2.gz FLBSOTMKFNYRCT-WEVVVXLNSA-N 0 0 580.451 4.911 50 0 KJAARN CN1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3cccc(Oc4ccccc4)c3)n2)CC1 ZINC000101075804 554577235 /nfs/dbraw/zinc/57/72/35/554577235.db2.gz FHFRMRHUMLOMPL-UHFFFAOYSA-N 0 0 540.620 4.786 50 0 KJAARN C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101078343 554578266 /nfs/dbraw/zinc/57/82/66/554578266.db2.gz VYBRIERHWVNSJT-HOVJPGETSA-N 0 0 578.507 4.748 50 0 biogenic KJAARN C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101078347 554578298 /nfs/dbraw/zinc/57/82/98/554578298.db2.gz VYBRIERHWVNSJT-WROXXFALSA-N 0 0 578.507 4.748 50 0 biogenic KJAARN O=C(Nc1ccc(Br)cc1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000101078422 554578326 /nfs/dbraw/zinc/57/83/26/554578326.db2.gz WZMUUPWJOLOBRV-UHFFFAOYSA-N 0 0 536.311 4.997 50 0 KJAARN O=C(Nc1ccc(Br)cc1)c1c(F)c(F)c2c(c1F)N(Cc1ccco1)CCS2(=O)=O ZINC000101078644 554578527 /nfs/dbraw/zinc/57/85/27/554578527.db2.gz NNJZBKCNCZMDRF-UHFFFAOYSA-N 0 0 515.307 4.506 50 0 KJAARN O=C(Nc1ccc(Br)cc1)c1c(F)c(F)c2c(c1F)N(Cc1ccccc1)CCS2(=O)=O ZINC000101078648 554578553 /nfs/dbraw/zinc/57/85/53/554578553.db2.gz SRJMUIWVPYSTSL-UHFFFAOYSA-N 0 0 525.346 4.913 50 0 KJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCOCC3)c(Oc3ccc(Br)cc3)cc1O2 ZINC000101080651 554578706 /nfs/dbraw/zinc/57/87/06/554578706.db2.gz JQBXXZNKPPYZLE-UHFFFAOYSA-N 0 0 545.411 4.929 50 0 KJAARN O=C1Nc2ccccc2Oc2cc(Oc3ccc(Br)cc3)c(S(=O)(=O)N3CCOCC3)cc21 ZINC000101080656 554578679 /nfs/dbraw/zinc/57/86/79/554578679.db2.gz ZOTVFGZXEJEEJZ-UHFFFAOYSA-N 0 0 531.384 4.620 50 0 KJAARN O=S(=O)(c1ccc(Br)cc1)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000101081715 554579125 /nfs/dbraw/zinc/57/91/25/554579125.db2.gz OLZILVUTXWSJJB-UHFFFAOYSA-N 0 0 523.456 4.960 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)c12 ZINC000101081862 554579235 /nfs/dbraw/zinc/57/92/35/554579235.db2.gz GZHKBFNDWCZBSC-UHFFFAOYSA-N 0 0 603.546 4.988 50 0 KJAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000101081870 554579121 /nfs/dbraw/zinc/57/91/21/554579121.db2.gz NQDDHKHCFGXWMV-UHFFFAOYSA-N 0 0 589.519 4.680 50 0 KJAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000101082147 554579420 /nfs/dbraw/zinc/57/94/20/554579420.db2.gz BJCWPAGBQNKERY-KUXCXQDQSA-N 0 0 506.558 4.627 50 0 KJAARN CCc1ccc(OCc2nn(CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c(=S)n2[C@@H](C)c2ccccc2)cc1 ZINC000101082682 554579435 /nfs/dbraw/zinc/57/94/35/554579435.db2.gz YVXPEQRGVUMZGS-QFIPXVFZSA-N 0 0 596.779 4.734 50 0 KJAARN CCc1ccc(OCc2nn(CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c(=S)n2[C@H](C)c2ccccc2)cc1 ZINC000101082687 554579415 /nfs/dbraw/zinc/57/94/15/554579415.db2.gz YVXPEQRGVUMZGS-JOCHJYFZSA-N 0 0 596.779 4.734 50 0 KJAARN O=S(=O)(c1nnn2c1nc(NC1CCN(Cc3ccccc3)CC1)c1ccccc12)c1ccc(Br)cc1 ZINC000101083321 554579813 /nfs/dbraw/zinc/57/98/13/554579813.db2.gz LJGBUEYKBGMOIG-UHFFFAOYSA-N 0 0 577.508 4.949 50 0 KJAARN CC(=O)c1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)cc1 ZINC000101083331 554579821 /nfs/dbraw/zinc/57/98/21/554579821.db2.gz SNEYRHOSKJNMOB-UHFFFAOYSA-N 0 0 522.384 4.819 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000101083508 554579771 /nfs/dbraw/zinc/57/97/71/554579771.db2.gz XAPMXNMYHRJEGS-UHFFFAOYSA-N 0 0 527.444 4.652 50 0 KJAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)[C@H]1CCCN1C(=O)c1cccc(Br)c1 ZINC000101085978 554580732 /nfs/dbraw/zinc/58/07/32/554580732.db2.gz DONXMGASOYVXCK-MRXNPFEDSA-N 0 0 536.249 4.973 50 0 KJAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)[C@@H]1CCCN1C(=O)c1cccc(Br)c1 ZINC000101085980 554580746 /nfs/dbraw/zinc/58/07/46/554580746.db2.gz DONXMGASOYVXCK-INIZCTEOSA-N 0 0 536.249 4.973 50 0 KJAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101086994 554580899 /nfs/dbraw/zinc/58/08/99/554580899.db2.gz KSBUOAVGXJIOGO-KEZOAJOQSA-N 0 0 503.480 4.860 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000101087206 554580824 /nfs/dbraw/zinc/58/08/24/554580824.db2.gz WXNGOSDAOVKSEG-UHFFFAOYSA-N 0 0 576.631 4.565 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)[C@@H]4C[C@H]4c4ccccc4)CC3)cc2)n(-c2ccccn2)n1 ZINC000101089362 554581459 /nfs/dbraw/zinc/58/14/59/554581459.db2.gz LCETUHQQVNMZIA-IZZNHLLZSA-N 0 0 521.621 4.563 50 0 KJAARN Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C(=O)OCC(=O)Nc2cccc(C)c2C)C(C)C)C3=O)c1C ZINC000101089730 554581370 /nfs/dbraw/zinc/58/13/70/554581370.db2.gz RGJHRRHSXUDEKE-PMERELPUSA-N 0 0 613.667 4.518 50 0 KJAARN Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C(=O)OCC(=O)Nc2cccc(C)c2C)C(C)C)C3=O)c1C ZINC000101089736 554581462 /nfs/dbraw/zinc/58/14/62/554581462.db2.gz RGJHRRHSXUDEKE-SSEXGKCCSA-N 0 0 613.667 4.518 50 0 KJAARN CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3c(CC)cccc3CC)cc2C1=O ZINC000101089769 554581495 /nfs/dbraw/zinc/58/14/95/554581495.db2.gz YFJLQSMILGOPPW-UHFFFAOYSA-N 0 0 627.694 4.510 50 0 KJAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](CC(C)C)C(=O)OCC(=O)Nc2ccc(C)cc2C)C3=O)c(C)c1 ZINC000101089799 554581474 /nfs/dbraw/zinc/58/14/74/554581474.db2.gz AWEHOOPETNOGIA-LJAQVGFWSA-N 0 0 627.694 4.908 50 0 KJAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](CC(C)C)C(=O)OCC(=O)Nc2ccc(C)cc2C)C3=O)c(C)c1 ZINC000101089801 554581456 /nfs/dbraw/zinc/58/14/56/554581456.db2.gz AWEHOOPETNOGIA-GDLZYMKVSA-N 0 0 627.694 4.908 50 0 KJAARN O=C(CN1c2ccccc2N=C(c2ccc(Br)s2)CC1=O)N1CCN(c2ccccc2)CC1 ZINC000101089854 554581422 /nfs/dbraw/zinc/58/14/22/554581422.db2.gz MURDZNQTLKDMGO-UHFFFAOYSA-N 0 0 523.456 4.717 50 0 KJAARN O=C(C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000101090229 554581697 /nfs/dbraw/zinc/58/16/97/554581697.db2.gz ODUWYKXEGDWKKY-UHFFFAOYSA-N 0 0 530.467 4.672 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccnc4Cl)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000101091133 554582173 /nfs/dbraw/zinc/58/21/73/554582173.db2.gz QBUDXLWCJYSTIG-UHFFFAOYSA-N 0 0 533.991 4.866 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(Cl)nc4)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000101091135 554582146 /nfs/dbraw/zinc/58/21/46/554582146.db2.gz HVPRSGNWGIOODI-UHFFFAOYSA-N 0 0 533.991 4.866 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccnc4Cl)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000101091148 554582189 /nfs/dbraw/zinc/58/21/89/554582189.db2.gz NUQSKHDNLOTPBP-UHFFFAOYSA-N 0 0 533.991 4.866 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(Cl)nc4)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000101091159 554582136 /nfs/dbraw/zinc/58/21/36/554582136.db2.gz POBRBWNOWIMILE-UHFFFAOYSA-N 0 0 533.991 4.866 50 0 KJAARN Brc1ccc2c(c1)Oc1cc(Br)ccc1OCCOCCOCCOCCOCCO2 ZINC000101092979 554583282 /nfs/dbraw/zinc/58/32/82/554583282.db2.gz SXPSQGRDTOLRJK-UHFFFAOYSA-N 0 0 562.251 4.842 50 0 KJAARN C[C@H](Sc1nnc([C@H](C)N2C(=O)COc3ccccc32)n1C)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000101094735 554584043 /nfs/dbraw/zinc/58/40/43/554584043.db2.gz MDBFBJKTEWMYHP-KBPBESRZSA-N 0 0 598.003 4.636 50 0 KJAARN C[C@H](c1nnc(S[C@@H](C)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C)N1C(=O)COc2ccccc21 ZINC000101094736 554584023 /nfs/dbraw/zinc/58/40/23/554584023.db2.gz MDBFBJKTEWMYHP-KGLIPLIRSA-N 0 0 598.003 4.636 50 0 KJAARN C[C@@H](Sc1nnc([C@H](C)N2C(=O)COc3ccccc32)n1C)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000101094737 554584052 /nfs/dbraw/zinc/58/40/52/554584052.db2.gz MDBFBJKTEWMYHP-UONOGXRCSA-N 0 0 598.003 4.636 50 0 KJAARN C[C@@H](Sc1nnc([C@@H](C)N2C(=O)COc3ccccc32)n1C)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000101094738 554584025 /nfs/dbraw/zinc/58/40/25/554584025.db2.gz MDBFBJKTEWMYHP-ZIAGYGMSSA-N 0 0 598.003 4.636 50 0 KJAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101097108 554584875 /nfs/dbraw/zinc/58/48/75/554584875.db2.gz GLCNHWBHNNLGNE-FCEKVYKBSA-N 0 0 520.541 4.966 50 0 KJAARN Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3cccc(Br)c3)cs2)c1 ZINC000101098016 554585097 /nfs/dbraw/zinc/58/50/97/554585097.db2.gz DUTVSQHLHLLNHS-UHFFFAOYSA-N 0 0 530.488 4.768 50 0 KJAARN Cc1ccccc1OCc1nc(CN(CCN2CCOCC2)C(=O)c2cccc(Br)c2)cs1 ZINC000101098032 554585136 /nfs/dbraw/zinc/58/51/36/554585136.db2.gz YCJGRGGYZXXFAH-UHFFFAOYSA-N 0 0 530.488 4.768 50 0 KJAARN O=C(c1cccc(Br)c1)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000101098494 554585412 /nfs/dbraw/zinc/58/54/12/554585412.db2.gz JAVSPLLHUHDGPK-UHFFFAOYSA-N 0 0 561.484 4.825 50 0 KJAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098535 554585399 /nfs/dbraw/zinc/58/53/99/554585399.db2.gz OJQMTASHYDGOCV-AREMUKBSSA-N 0 0 538.511 4.751 50 0 KJAARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098537 554585388 /nfs/dbraw/zinc/58/53/88/554585388.db2.gz OJQMTASHYDGOCV-SANMLTNESA-N 0 0 538.511 4.751 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(C3CCOCC3)nc(N3CCN(C(=O)c4cccc(Br)c4)CC3)c12 ZINC000101098649 554585490 /nfs/dbraw/zinc/58/54/90/554585490.db2.gz QCFOKGMEDQUXPZ-UHFFFAOYSA-N 0 0 561.484 4.743 50 0 KJAARN Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000101098795 554585379 /nfs/dbraw/zinc/58/53/79/554585379.db2.gz NCDNPTLQPBCGTL-FSSWDIPSSA-N 0 0 524.802 4.671 50 0 KJAARN Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000101098801 554585546 /nfs/dbraw/zinc/58/55/46/554585546.db2.gz NCDNPTLQPBCGTL-FKBYEOEOSA-N 0 0 524.802 4.671 50 0 KJAARN O=C(c1cccc(Br)c1)N1N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]21 ZINC000101098803 554585749 /nfs/dbraw/zinc/58/57/49/554585749.db2.gz AXAXRNDBDQAWDN-NJYVYQBISA-N 0 0 528.765 4.502 50 0 KJAARN O=C(c1cccc(Br)c1)N1N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]21 ZINC000101098804 554585726 /nfs/dbraw/zinc/58/57/26/554585726.db2.gz AXAXRNDBDQAWDN-HKBOAZHASA-N 0 0 528.765 4.502 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1 ZINC000101099034 554586013 /nfs/dbraw/zinc/58/60/13/554586013.db2.gz YSTGBCYFQLLRRF-UHFFFAOYSA-N 0 0 536.426 4.507 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101099627 554586400 /nfs/dbraw/zinc/58/64/00/554586400.db2.gz AOIFYMIRSFXXIU-XUJYPJAKSA-N 0 0 541.991 4.705 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101099628 554586383 /nfs/dbraw/zinc/58/63/83/554586383.db2.gz AOIFYMIRSFXXIU-YAOOYPAMSA-N 0 0 541.991 4.705 50 0 KJAARN C[C@H](NC(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(c2ccccn2)CC1)c1nccs1 ZINC000101101103 554587681 /nfs/dbraw/zinc/58/76/81/554587681.db2.gz UJBSEKKNOIPIHH-NRFANRHFSA-N 0 0 531.657 4.923 50 0 KJAARN C[C@@H](NC(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(c2ccccn2)CC1)c1nccs1 ZINC000101101104 554587651 /nfs/dbraw/zinc/58/76/51/554587651.db2.gz UJBSEKKNOIPIHH-OAQYLSRUSA-N 0 0 531.657 4.923 50 0 KJAARN COc1cc(C(=O)Nc2c(C(N)=O)c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000101101662 554638825 /nfs/dbraw/zinc/63/88/25/554638825.db2.gz RAZQKCGPRAIZBD-UHFFFAOYSA-N 0 0 531.956 4.604 50 0 KJAARN COCCNC(=O)c1cccc(CSc2nc(C)cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1 ZINC000101104377 554639671 /nfs/dbraw/zinc/63/96/71/554639671.db2.gz NXPIXLYBUKGNHX-UHFFFAOYSA-N 0 0 545.631 4.799 50 0 KJAARN O=C(COc1ccc(-c2ncccn2)cc1CN1CCN(c2ccccc2)CC1)NCCc1cccc(Cl)c1 ZINC000101104400 554639740 /nfs/dbraw/zinc/63/97/40/554639740.db2.gz BEFGGLAGZHSNBL-UHFFFAOYSA-N 0 0 542.083 4.857 50 0 KJAARN COc1ccc(CCn2cnc3c(c2=N)[C@H](c2ccc(OC)c(OC)c2)c2ccc(O)cc2O3)cc1OC ZINC000101105411 554639932 /nfs/dbraw/zinc/63/99/32/554639932.db2.gz NOFMPHSKSVRBJJ-AREMUKBSSA-N 0 0 515.566 4.631 50 0 KJAARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000101109055 554641103 /nfs/dbraw/zinc/64/11/03/554641103.db2.gz HYYLFIWUNZLXNV-HXUWFJFHSA-N 0 0 543.468 4.913 50 0 KJAARN O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000101109057 554641120 /nfs/dbraw/zinc/64/11/20/554641120.db2.gz HYYLFIWUNZLXNV-FQEVSTJZSA-N 0 0 543.468 4.913 50 0 KJAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000101111256 554641612 /nfs/dbraw/zinc/64/16/12/554641612.db2.gz FFCRDQXEULCJCN-NDBXHCKUSA-N 0 0 533.506 4.868 50 0 KJAARN 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O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccc2c(c1)OCO2 ZINC000101156347 554658839 /nfs/dbraw/zinc/65/88/39/554658839.db2.gz MAPXRJMSCMUKTM-LIONHTAISA-N 0 0 532.474 4.832 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cc(OC)ccc2OC)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000101157496 554659106 /nfs/dbraw/zinc/65/91/06/554659106.db2.gz HWBNCINVVVELJX-SANMLTNESA-N 0 0 521.639 4.891 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cc(OC)ccc2OC)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000101157497 554659107 /nfs/dbraw/zinc/65/91/07/554659107.db2.gz HWBNCINVVVELJX-AREMUKBSSA-N 0 0 521.639 4.891 50 0 KJAARN COc1ccc(CCn2c(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cs/c2=N\c2ccccc2)cc1OC ZINC000101157634 554659099 /nfs/dbraw/zinc/65/90/99/554659099.db2.gz MIWABLSZKQTGKT-FLWNBWAVSA-N 0 0 565.717 4.730 50 0 KJAARN COc1ccc(CN(C)C(=O)CCc2nc3cc(Cl)ccc3n(Cc3ccccc3)c2=O)c(OC)c1OC ZINC000101158143 554659087 /nfs/dbraw/zinc/65/90/87/554659087.db2.gz CGLMVGQAANOHGS-UHFFFAOYSA-N 0 0 536.028 4.715 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cc(OC)cc(OC)c2)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000101159141 554659376 /nfs/dbraw/zinc/65/93/76/554659376.db2.gz UHEKKGBEJKWNLB-SANMLTNESA-N 0 0 521.639 4.891 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cc(OC)cc(OC)c2)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000101159146 554659279 /nfs/dbraw/zinc/65/92/79/554659279.db2.gz UHEKKGBEJKWNLB-AREMUKBSSA-N 0 0 521.639 4.891 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101159237 554659263 /nfs/dbraw/zinc/65/92/63/554659263.db2.gz OTTGTQLIYQRTPY-SANMLTNESA-N 0 0 519.623 4.866 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101159241 554659340 /nfs/dbraw/zinc/65/93/40/554659340.db2.gz OTTGTQLIYQRTPY-AREMUKBSSA-N 0 0 519.623 4.866 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2OC)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000101159566 554659309 /nfs/dbraw/zinc/65/93/09/554659309.db2.gz DYEOWZMHPLCDNA-SANMLTNESA-N 0 0 521.639 4.891 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2OC)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000101159574 554659378 /nfs/dbraw/zinc/65/93/78/554659378.db2.gz DYEOWZMHPLCDNA-AREMUKBSSA-N 0 0 521.639 4.891 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2OC)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000101159784 554659296 /nfs/dbraw/zinc/65/92/96/554659296.db2.gz CBJKZCVLQPBDIV-VWLOTQADSA-N 0 0 521.639 4.891 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2OC)N2C(CC(=O)N(C)Cc3ccccc3)=CSC2=N1 ZINC000101159786 554659348 /nfs/dbraw/zinc/65/93/48/554659348.db2.gz CBJKZCVLQPBDIV-RUZDIDTESA-N 0 0 521.639 4.891 50 0 KJAARN COc1ccc(Cn2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs/c2=N\c2ccccc2OC)cc1 ZINC000101160443 554659583 /nfs/dbraw/zinc/65/95/83/554659583.db2.gz AZOSDXADVIDOEP-ZIADKAODSA-N 0 0 551.690 4.535 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1 ZINC000101160678 554659575 /nfs/dbraw/zinc/65/95/75/554659575.db2.gz LPNJRBLFGDMMKP-MHZLTWQESA-N 0 0 536.028 4.824 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1 ZINC000101160680 554659530 /nfs/dbraw/zinc/65/95/30/554659530.db2.gz LPNJRBLFGDMMKP-HHHXNRCGSA-N 0 0 536.028 4.824 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(OCc3ccccc3)c2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101160819 554659553 /nfs/dbraw/zinc/65/95/53/554659553.db2.gz WQWCBMJWLNPLKD-MHZLTWQESA-N 0 0 533.650 4.653 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(OCc3ccccc3)c2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101160821 554659773 /nfs/dbraw/zinc/65/97/73/554659773.db2.gz WQWCBMJWLNPLKD-HHHXNRCGSA-N 0 0 533.650 4.653 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@H]1c1cc(OC)ccc1OC ZINC000101161920 554659979 /nfs/dbraw/zinc/65/99/79/554659979.db2.gz AXUHDYLAQISFPV-SANMLTNESA-N 0 0 521.639 4.848 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@@H]1c1cc(OC)ccc1OC ZINC000101161922 554659982 /nfs/dbraw/zinc/65/99/82/554659982.db2.gz AXUHDYLAQISFPV-AREMUKBSSA-N 0 0 521.639 4.848 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1cc(OC)ccc1OC ZINC000101161967 554659995 /nfs/dbraw/zinc/65/99/95/554659995.db2.gz AIPRTDLYLBQVFL-HHHXNRCGSA-N 0 0 533.650 4.992 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1cc(OC)ccc1OC ZINC000101161968 554659973 /nfs/dbraw/zinc/65/99/73/554659973.db2.gz AIPRTDLYLBQVFL-MHZLTWQESA-N 0 0 533.650 4.992 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@H]1c1cccc(OC)c1OC ZINC000101162050 554659993 /nfs/dbraw/zinc/65/99/93/554659993.db2.gz AJKOPJZFORLPLM-VWLOTQADSA-N 0 0 521.639 4.848 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@@H]1c1cccc(OC)c1OC ZINC000101162051 554660050 /nfs/dbraw/zinc/66/00/50/554660050.db2.gz AJKOPJZFORLPLM-RUZDIDTESA-N 0 0 521.639 4.848 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(=O)c1ccc(OC)cc1 ZINC000101162099 554659975 /nfs/dbraw/zinc/65/99/75/554659975.db2.gz NTUDOZLEIVDUHS-MHZLTWQESA-N 0 0 536.028 4.824 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(=O)c1ccc(OC)cc1 ZINC000101162104 554660016 /nfs/dbraw/zinc/66/00/16/554660016.db2.gz NTUDOZLEIVDUHS-HHHXNRCGSA-N 0 0 536.028 4.824 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)c1ccccc1F ZINC000101162792 554660341 /nfs/dbraw/zinc/66/03/41/554660341.db2.gz YFGRYCVLFCDYNQ-MHZLTWQESA-N 0 0 547.627 4.926 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)c1ccccc1F ZINC000101162794 554660338 /nfs/dbraw/zinc/66/03/38/554660338.db2.gz YFGRYCVLFCDYNQ-HHHXNRCGSA-N 0 0 547.627 4.926 50 0 KJAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000101162845 554660324 /nfs/dbraw/zinc/66/03/24/554660324.db2.gz WKFIMKKUGWFSTD-UHFFFAOYSA-N 0 0 536.470 4.829 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@H]1c1ccc(OC)cc1OC ZINC000101162888 554660519 /nfs/dbraw/zinc/66/05/19/554660519.db2.gz WVUPHCSKIUSQTA-SANMLTNESA-N 0 0 521.639 4.848 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@@H]1c1ccc(OC)cc1OC ZINC000101162889 554660552 /nfs/dbraw/zinc/66/05/52/554660552.db2.gz WVUPHCSKIUSQTA-AREMUKBSSA-N 0 0 521.639 4.848 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1cccc(OC)c1OC ZINC000101162936 554660573 /nfs/dbraw/zinc/66/05/73/554660573.db2.gz MNWVIOINNBRBBY-AREMUKBSSA-N 0 0 533.650 4.992 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1cccc(OC)c1OC ZINC000101162937 554660554 /nfs/dbraw/zinc/66/05/54/554660554.db2.gz MNWVIOINNBRBBY-SANMLTNESA-N 0 0 533.650 4.992 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OC)C(=O)c1ccccc1Cl ZINC000101163594 554660822 /nfs/dbraw/zinc/66/08/22/554660822.db2.gz YGAXCTRSWNAVGC-SANMLTNESA-N 0 0 536.028 4.824 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1OC)C(=O)c1ccccc1Cl ZINC000101163596 554660837 /nfs/dbraw/zinc/66/08/37/554660837.db2.gz YGAXCTRSWNAVGC-AREMUKBSSA-N 0 0 536.028 4.824 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000101163899 554660792 /nfs/dbraw/zinc/66/07/92/554660792.db2.gz XVOIDUSRJALHQI-HHHXNRCGSA-N 0 0 533.650 4.992 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000101163901 554660813 /nfs/dbraw/zinc/66/08/13/554660813.db2.gz XVOIDUSRJALHQI-MHZLTWQESA-N 0 0 533.650 4.992 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101164063 554660817 /nfs/dbraw/zinc/66/08/17/554660817.db2.gz NGBXIUOOVCHWGS-HHHXNRCGSA-N 0 0 533.650 4.992 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000101164066 554660824 /nfs/dbraw/zinc/66/08/24/554660824.db2.gz NGBXIUOOVCHWGS-MHZLTWQESA-N 0 0 533.650 4.992 50 0 KJAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3cccc(Br)c3)CC2)cc1 ZINC000101164117 554660835 /nfs/dbraw/zinc/66/08/35/554660835.db2.gz SBZDJUSXEUVHFS-UHFFFAOYSA-N 0 0 536.470 4.829 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000101164189 554660811 /nfs/dbraw/zinc/66/08/11/554660811.db2.gz JYXQSVNETOTOHD-SANMLTNESA-N 0 0 521.639 4.848 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N(C)CC)N2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000101164190 554660839 /nfs/dbraw/zinc/66/08/39/554660839.db2.gz JYXQSVNETOTOHD-AREMUKBSSA-N 0 0 521.639 4.848 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1ccc(OC)cc1OC ZINC000101164220 554660831 /nfs/dbraw/zinc/66/08/31/554660831.db2.gz UEPQBSYOMVCEPF-HHHXNRCGSA-N 0 0 533.650 4.992 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1ccc(OC)cc1OC ZINC000101164222 554660794 /nfs/dbraw/zinc/66/07/94/554660794.db2.gz UEPQBSYOMVCEPF-MHZLTWQESA-N 0 0 533.650 4.992 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1ccccc1Cl ZINC000101165280 554660997 /nfs/dbraw/zinc/66/09/97/554660997.db2.gz BWVCLZAGRMOKQQ-DEOSSOPVSA-N 0 0 537.975 4.674 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1ccccc1Cl ZINC000101165284 554661036 /nfs/dbraw/zinc/66/10/36/554661036.db2.gz BWVCLZAGRMOKQQ-XMMPIXPASA-N 0 0 537.975 4.674 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000101165411 554661008 /nfs/dbraw/zinc/66/10/08/554661008.db2.gz NZMFSEQGYXHIHE-AREMUKBSSA-N 0 0 521.639 4.891 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000101165415 554661051 /nfs/dbraw/zinc/66/10/51/554661051.db2.gz NZMFSEQGYXHIHE-SANMLTNESA-N 0 0 521.639 4.891 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101165797 554661039 /nfs/dbraw/zinc/66/10/39/554661039.db2.gz KOUREMDJGSGWBL-AREMUKBSSA-N 0 0 521.639 4.891 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000101165800 554661022 /nfs/dbraw/zinc/66/10/22/554661022.db2.gz KOUREMDJGSGWBL-SANMLTNESA-N 0 0 521.639 4.891 50 0 KJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1ccc(OC)cc1OC ZINC000101170007 554661491 /nfs/dbraw/zinc/66/14/91/554661491.db2.gz WKIBUYTYTVWNJG-VWLOTQADSA-N 0 0 507.612 4.500 50 0 KJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccc(OC)cc1OC ZINC000101170009 554661492 /nfs/dbraw/zinc/66/14/92/554661492.db2.gz WKIBUYTYTVWNJG-RUZDIDTESA-N 0 0 507.612 4.500 50 0 KJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1cc(OC)ccc1OC ZINC000101170594 554661722 /nfs/dbraw/zinc/66/17/22/554661722.db2.gz IKVCGWNPRMXDLQ-VWLOTQADSA-N 0 0 507.612 4.500 50 0 KJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1cc(OC)ccc1OC ZINC000101170599 554661737 /nfs/dbraw/zinc/66/17/37/554661737.db2.gz IKVCGWNPRMXDLQ-RUZDIDTESA-N 0 0 507.612 4.500 50 0 KJAARN CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(OC)cc3OC)N12 ZINC000101170686 554661791 /nfs/dbraw/zinc/66/17/91/554661791.db2.gz BZCQINDHCFPSLE-SANMLTNESA-N 0 0 521.639 4.891 50 0 KJAARN CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(OC)cc3OC)N12 ZINC000101170690 554661689 /nfs/dbraw/zinc/66/16/89/554661689.db2.gz BZCQINDHCFPSLE-AREMUKBSSA-N 0 0 521.639 4.891 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101171877 554661934 /nfs/dbraw/zinc/66/19/34/554661934.db2.gz ZPFPUQDVVJMNGE-HHHXNRCGSA-N 0 0 533.650 4.653 50 0 KJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101171879 554661954 /nfs/dbraw/zinc/66/19/54/554661954.db2.gz ZPFPUQDVVJMNGE-MHZLTWQESA-N 0 0 533.650 4.653 50 0 KJAARN CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cc(OC)ccc3OC)N12 ZINC000101172880 554661930 /nfs/dbraw/zinc/66/19/30/554661930.db2.gz LZSHVTTZZSMYAA-SANMLTNESA-N 0 0 521.639 4.891 50 0 KJAARN CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cc(OC)ccc3OC)N12 ZINC000101172882 554662281 /nfs/dbraw/zinc/66/22/81/554662281.db2.gz LZSHVTTZZSMYAA-AREMUKBSSA-N 0 0 521.639 4.891 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000101173001 554662227 /nfs/dbraw/zinc/66/22/27/554662227.db2.gz OEQJTIAAUNSAGQ-MHZLTWQESA-N 0 0 536.028 4.824 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000101173002 554662282 /nfs/dbraw/zinc/66/22/82/554662282.db2.gz OEQJTIAAUNSAGQ-HHHXNRCGSA-N 0 0 536.028 4.824 50 0 KJAARN CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc(OC)c3OC)N12 ZINC000101173462 554662224 /nfs/dbraw/zinc/66/22/24/554662224.db2.gz LULICDJENQTRAH-VWLOTQADSA-N 0 0 521.639 4.891 50 0 KJAARN CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc(OC)c3OC)N12 ZINC000101173464 554662265 /nfs/dbraw/zinc/66/22/65/554662265.db2.gz LULICDJENQTRAH-RUZDIDTESA-N 0 0 521.639 4.891 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1ccc(OC)cc1 ZINC000101173500 554662280 /nfs/dbraw/zinc/66/22/80/554662280.db2.gz GDJHVRPRQAWYPM-SANMLTNESA-N 0 0 521.639 4.508 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccc(OC)cc1 ZINC000101173502 554662204 /nfs/dbraw/zinc/66/22/04/554662204.db2.gz GDJHVRPRQAWYPM-AREMUKBSSA-N 0 0 521.639 4.508 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1cccc(F)c1 ZINC000101174836 554662686 /nfs/dbraw/zinc/66/26/86/554662686.db2.gz ZOZCYYRCDBNRTJ-DEOSSOPVSA-N 0 0 537.975 4.674 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1cccc(F)c1 ZINC000101174839 554662656 /nfs/dbraw/zinc/66/26/56/554662656.db2.gz ZOZCYYRCDBNRTJ-XMMPIXPASA-N 0 0 537.975 4.674 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1)C(=O)c1ccccc1F ZINC000101175184 554663128 /nfs/dbraw/zinc/66/31/28/554663128.db2.gz LUCKMJMGLXFTKN-MHZLTWQESA-N 0 0 533.600 4.618 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1)C(=O)c1ccccc1F ZINC000101175191 554663130 /nfs/dbraw/zinc/66/31/30/554663130.db2.gz LUCKMJMGLXFTKN-HHHXNRCGSA-N 0 0 533.600 4.618 50 0 KJAARN O=C(CSc1nc(=O)c2c(n1-c1ccccc1Cl)NCN(C1CCCC1)C2)Nc1ccc(F)cc1 ZINC000101175816 554663704 /nfs/dbraw/zinc/66/37/04/554663704.db2.gz FOGOKUCVYHRPGC-UHFFFAOYSA-N 0 0 514.026 4.883 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)c1ccccc1Cl ZINC000101176328 554664213 /nfs/dbraw/zinc/66/42/13/554664213.db2.gz BZTJIVZFLXKCHP-QFIPXVFZSA-N 0 0 542.057 4.885 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)c1ccccc1Cl ZINC000101176330 554664182 /nfs/dbraw/zinc/66/41/82/554664182.db2.gz BZTJIVZFLXKCHP-JOCHJYFZSA-N 0 0 542.057 4.885 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1ccccc1Cl ZINC000101176868 554664739 /nfs/dbraw/zinc/66/47/39/554664739.db2.gz FEDFSRPDWSYLLB-QHCPKHFHSA-N 0 0 542.057 4.885 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC)C(=O)c1ccccc1Cl ZINC000101176870 554664733 /nfs/dbraw/zinc/66/47/33/554664733.db2.gz FEDFSRPDWSYLLB-HSZRJFAPSA-N 0 0 542.057 4.885 50 0 KJAARN Cc1sc(-c2ccco2)nc1C(=O)O[C@H](C)CN1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 ZINC000101177676 554665315 /nfs/dbraw/zinc/66/53/15/554665315.db2.gz HWWJSYNPAMVNTI-OAHLLOKOSA-N 0 0 526.640 4.740 50 0 KJAARN Cc1sc(-c2ccco2)nc1C(=O)O[C@@H](C)CN1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 ZINC000101177678 554665287 /nfs/dbraw/zinc/66/52/87/554665287.db2.gz HWWJSYNPAMVNTI-HNNXBMFYSA-N 0 0 526.640 4.740 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1ccccc1Cl ZINC000101177726 554665304 /nfs/dbraw/zinc/66/53/04/554665304.db2.gz TYYRJWXRVJEHSE-SANMLTNESA-N 0 0 554.018 4.963 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC)C(=O)c1ccccc1Cl ZINC000101177728 554665301 /nfs/dbraw/zinc/66/53/01/554665301.db2.gz TYYRJWXRVJEHSE-AREMUKBSSA-N 0 0 554.018 4.963 50 0 KJAARN CCOc1ccccc1N1C(=O)[C@H]2[C@H](ON(C)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)C1=O ZINC000101177758 554665520 /nfs/dbraw/zinc/66/55/20/554665520.db2.gz LQWKXNWJTASVRH-PFBJBMPXSA-N 0 0 502.567 4.539 50 0 KJAARN CCOC(=O)CSc1nc2cc(C(=O)NCc3ccccc3Cl)ccc2c(=O)n1CCc1ccccc1 ZINC000101179737 554666216 /nfs/dbraw/zinc/66/62/16/554666216.db2.gz JJGBDLYECKFVOY-UHFFFAOYSA-N 0 0 536.053 4.878 50 0 KJAARN CCOC(=O)CSc1nc2cc(C(=O)NCc3cccc(Cl)c3)ccc2c(=O)n1CCc1ccccc1 ZINC000101179738 554666248 /nfs/dbraw/zinc/66/62/48/554666248.db2.gz ZYLFDQOJHNYPTQ-UHFFFAOYSA-N 0 0 536.053 4.878 50 0 KJAARN CC(C)(C)C(=O)OC[C@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C ZINC000101180585 554666878 /nfs/dbraw/zinc/66/68/78/554666878.db2.gz PLXCBOJERHYNCS-XDWAVFMPSA-N 0 0 600.746 4.764 50 0 KJAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000101181309 554667011 /nfs/dbraw/zinc/66/70/11/554667011.db2.gz DZNKLUCVFPQYRL-ZLNRFVROSA-N 0 0 509.356 4.517 50 0 KJAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000101181600 554667320 /nfs/dbraw/zinc/66/73/20/554667320.db2.gz KRMNBXYOSFJGGX-AKFKNWHVSA-N 0 0 523.383 4.913 50 0 KJAARN CCOc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2OC)cc(OCC)c1OCC ZINC000101181750 554667276 /nfs/dbraw/zinc/66/72/76/554667276.db2.gz DUZLVPUGKTUYNW-UHFFFAOYSA-N 0 0 612.734 4.589 50 0 KJAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1 ZINC000101181997 554667525 /nfs/dbraw/zinc/66/75/25/554667525.db2.gz PLMKUINRDMVCQG-QFIPXVFZSA-N 0 0 530.679 4.585 50 0 KJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1 ZINC000101182003 554667546 /nfs/dbraw/zinc/66/75/46/554667546.db2.gz PLMKUINRDMVCQG-JOCHJYFZSA-N 0 0 530.679 4.585 50 0 KJAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 ZINC000101182100 554667484 /nfs/dbraw/zinc/66/74/84/554667484.db2.gz MHKPBNKITHYNKC-QHCPKHFHSA-N 0 0 544.706 4.893 50 0 KJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 ZINC000101182105 554667584 /nfs/dbraw/zinc/66/75/84/554667584.db2.gz MHKPBNKITHYNKC-HSZRJFAPSA-N 0 0 544.706 4.893 50 0 KJAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2C)c1 ZINC000101182132 554667493 /nfs/dbraw/zinc/66/74/93/554667493.db2.gz WPRUBRKZNIWTAZ-QFIPXVFZSA-N 0 0 548.669 4.724 50 0 KJAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2C)c1 ZINC000101182137 554667508 /nfs/dbraw/zinc/66/75/08/554667508.db2.gz WPRUBRKZNIWTAZ-JOCHJYFZSA-N 0 0 548.669 4.724 50 0 KJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 ZINC000101182143 554667589 /nfs/dbraw/zinc/66/75/89/554667589.db2.gz HTCSONGLJCUAAC-QHCPKHFHSA-N 0 0 560.705 4.594 50 0 KJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 ZINC000101182147 554667560 /nfs/dbraw/zinc/66/75/60/554667560.db2.gz HTCSONGLJCUAAC-HSZRJFAPSA-N 0 0 560.705 4.594 50 0 KJAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2C)cc1 ZINC000101182344 554667664 /nfs/dbraw/zinc/66/76/64/554667664.db2.gz OQPPRZWSRVDTQO-QFIPXVFZSA-N 0 0 548.669 4.724 50 0 KJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2C)cc1 ZINC000101182349 554667754 /nfs/dbraw/zinc/66/77/54/554667754.db2.gz OQPPRZWSRVDTQO-JOCHJYFZSA-N 0 0 548.669 4.724 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(F)c4)n3C)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101182352 554667705 /nfs/dbraw/zinc/66/77/05/554667705.db2.gz MPSUZFBMXKRZPT-VWLOTQADSA-N 0 0 576.629 4.502 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(F)c4)n3C)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101182356 554667676 /nfs/dbraw/zinc/66/76/76/554667676.db2.gz MPSUZFBMXKRZPT-RUZDIDTESA-N 0 0 576.629 4.502 50 0 KJAARN Cn1c(CNC(=O)c2cccc(F)c2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000101182359 554667667 /nfs/dbraw/zinc/66/76/67/554667667.db2.gz JNLYHARILLTBAV-NRFANRHFSA-N 0 0 552.632 4.555 50 0 KJAARN Cn1c(CNC(=O)c2cccc(F)c2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000101182362 554667756 /nfs/dbraw/zinc/66/77/56/554667756.db2.gz JNLYHARILLTBAV-OAQYLSRUSA-N 0 0 552.632 4.555 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(C)cc3)n2C)cc1 ZINC000101182572 554668074 /nfs/dbraw/zinc/66/80/74/554668074.db2.gz FLKQAQUSSMFQTI-MHZLTWQESA-N 0 0 584.702 4.541 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(C)cc3)n2C)cc1 ZINC000101182577 554668065 /nfs/dbraw/zinc/66/80/65/554668065.db2.gz FLKQAQUSSMFQTI-HHHXNRCGSA-N 0 0 584.702 4.541 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000101182685 554668207 /nfs/dbraw/zinc/66/82/07/554668207.db2.gz DMXMMMPKGRBCHA-LIONHTAISA-N 0 0 533.506 4.868 50 0 KJAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN32)cc1 ZINC000101182690 554668142 /nfs/dbraw/zinc/66/81/42/554668142.db2.gz DMXMMMPKGRBCHA-NDBXHCKUSA-N 0 0 533.506 4.868 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(C)cc3)n2C)cc1OC ZINC000101182708 554668157 /nfs/dbraw/zinc/66/81/57/554668157.db2.gz PEAVYUJGMLBDAO-QFIPXVFZSA-N 0 0 590.731 4.602 50 0 KJAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(C)cc3)n2C)cc1OC ZINC000101182713 554668132 /nfs/dbraw/zinc/66/81/32/554668132.db2.gz PEAVYUJGMLBDAO-JOCHJYFZSA-N 0 0 590.731 4.602 50 0 KJAARN O=C(CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101184035 554668666 /nfs/dbraw/zinc/66/86/66/554668666.db2.gz QQFVFGXGLNOISM-UHFFFAOYSA-N 0 0 594.397 4.883 50 0 KJAARN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101184947 554668966 /nfs/dbraw/zinc/66/89/66/554668966.db2.gz LRBKOSZXIYIYBS-VJGNERBWSA-N 0 0 502.567 4.934 50 0 KJAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2C)ccc1OCc1ccccc1 ZINC000101186122 554669235 /nfs/dbraw/zinc/66/92/35/554669235.db2.gz VIEWMAMBWJAMJJ-SDHSZQHLSA-N 0 0 537.410 4.903 50 0 KJAARN CCSc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccc(OC)cc3)c3ccccc23)s1 ZINC000101186189 554669220 /nfs/dbraw/zinc/66/92/20/554669220.db2.gz ZQSBKUYBIKLCSO-UHFFFAOYSA-N 0 0 527.697 4.774 50 0 KJAARN COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3ccccc3OC)c3ccccc23)cc1OC ZINC000101186278 554669192 /nfs/dbraw/zinc/66/91/92/554669192.db2.gz RSRKEKMXMRYLOW-UHFFFAOYSA-N 0 0 547.677 4.548 50 0 biogenic KJAARN COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c3ccccc23)cc1OC ZINC000101186403 554669244 /nfs/dbraw/zinc/66/92/44/554669244.db2.gz BDHVIFRCBLWGOS-UHFFFAOYSA-N 0 0 535.641 4.679 50 0 KJAARN CCSc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccc(OC)c(OC)c3)c3ccccc23)s1 ZINC000101187135 554669630 /nfs/dbraw/zinc/66/96/30/554669630.db2.gz FLIAQWUBFFAEOR-UHFFFAOYSA-N 0 0 557.723 4.783 50 0 KJAARN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3c2=O)c(OC)c1 ZINC000101187475 554669657 /nfs/dbraw/zinc/66/96/57/554669657.db2.gz SJYVEZOQWHRCIY-UHFFFAOYSA-N 0 0 550.571 4.564 50 0 KJAARN COc1ccc(-n2nc(C(=O)NCC(=O)NC3CCC(Cc4ccccc4)CC3)c3ccccc3c2=O)cc1Cl ZINC000101187614 554669645 /nfs/dbraw/zinc/66/96/45/554669645.db2.gz QCYWDTCDPFTLGL-UHFFFAOYSA-N 0 0 559.066 4.695 50 0 KJAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101189227 554670194 /nfs/dbraw/zinc/67/01/94/554670194.db2.gz QOGNHDGKUZYEBQ-UUROJUAVSA-N 0 0 528.992 4.919 50 0 KJAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc(OC)c1OC ZINC000101189288 554670293 /nfs/dbraw/zinc/67/02/93/554670293.db2.gz ORNQRVQPUKWWID-GTNKKZTPSA-N 0 0 510.546 4.917 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1OCC ZINC000101191459 554670523 /nfs/dbraw/zinc/67/05/23/554670523.db2.gz WWISYLONHPVTHF-LOYHVIPDSA-N 0 0 562.663 4.779 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1OCC ZINC000101191463 554670599 /nfs/dbraw/zinc/67/05/99/554670599.db2.gz WWISYLONHPVTHF-XZWHSSHBSA-N 0 0 562.663 4.779 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1OCC ZINC000101191464 554670538 /nfs/dbraw/zinc/67/05/38/554670538.db2.gz WWISYLONHPVTHF-IHLOFXLRSA-N 0 0 562.663 4.779 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1OCC ZINC000101191469 554670525 /nfs/dbraw/zinc/67/05/25/554670525.db2.gz WWISYLONHPVTHF-KYJUHHDHSA-N 0 0 562.663 4.779 50 0 KJAARN COc1ccc(CNC(=O)[C@@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000101191564 554670880 /nfs/dbraw/zinc/67/08/80/554670880.db2.gz AOZNEKWVWWWDQG-UFHPHHKVSA-N 0 0 534.609 4.530 50 0 KJAARN COc1ccc(CNC(=O)[C@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000101191566 554670774 /nfs/dbraw/zinc/67/07/74/554670774.db2.gz AOZNEKWVWWWDQG-RBJSKKJNSA-N 0 0 534.609 4.530 50 0 KJAARN COc1ccc(CNC(=O)[C@@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000101191569 554670754 /nfs/dbraw/zinc/67/07/54/554670754.db2.gz AOZNEKWVWWWDQG-YWEHKCAJSA-N 0 0 534.609 4.530 50 0 KJAARN COc1ccc(CNC(=O)[C@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000101191574 554670762 /nfs/dbraw/zinc/67/07/62/554670762.db2.gz AOZNEKWVWWWDQG-CUBQBAPOSA-N 0 0 534.609 4.530 50 0 KJAARN COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc(OC)c1OC ZINC000101192384 554670796 /nfs/dbraw/zinc/67/07/96/554670796.db2.gz TWHFVTXZZJWQBI-FPSMJMQUSA-N 0 0 520.508 4.875 50 0 KJAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCCN3CCN(c4ccccc4F)CC3)cc12 ZINC000101192484 554670982 /nfs/dbraw/zinc/67/09/82/554670982.db2.gz MZHGSOLZEXSQGC-UHFFFAOYSA-N 0 0 560.718 4.720 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000101192609 554671065 /nfs/dbraw/zinc/67/10/65/554671065.db2.gz ALUQRXZIJMNVFW-UHFFFAOYSA-N 0 0 550.702 4.755 50 0 KJAARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000101194484 554671832 /nfs/dbraw/zinc/67/18/32/554671832.db2.gz OPAFFMVFAQXOMY-XQNUDUSMSA-N 0 0 524.326 4.752 50 0 KJAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000101197225 554672290 /nfs/dbraw/zinc/67/22/90/554672290.db2.gz KFBOGCQHWYTUFR-XUJYPJAKSA-N 0 0 544.007 4.507 50 0 KJAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)ccc4OC)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101197229 554672259 /nfs/dbraw/zinc/67/22/59/554672259.db2.gz KFBOGCQHWYTUFR-YAOOYPAMSA-N 0 0 544.007 4.507 50 0 KJAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000101198776 554672566 /nfs/dbraw/zinc/67/25/66/554672566.db2.gz YSJOAQTYWZPHOE-XPNTWCBSSA-N 0 0 527.346 4.744 50 0 KJAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)c(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1 ZINC000101202584 554673100 /nfs/dbraw/zinc/67/31/00/554673100.db2.gz LGOBMFKZEBLOOR-URAJONJJSA-N 0 0 584.500 4.740 50 0 biogenic KJAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)c(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)cc1 ZINC000101202587 554673126 /nfs/dbraw/zinc/67/31/26/554673126.db2.gz LGOBMFKZEBLOOR-SJNNHYBDSA-N 0 0 584.500 4.740 50 0 biogenic KJAARN C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101204350 554674371 /nfs/dbraw/zinc/67/43/71/554674371.db2.gz ZUPMCBYNPHVWIR-HOVJPGETSA-N 0 0 534.056 4.639 50 0 biogenic KJAARN C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101204356 554674386 /nfs/dbraw/zinc/67/43/86/554674386.db2.gz ZUPMCBYNPHVWIR-WROXXFALSA-N 0 0 534.056 4.639 50 0 biogenic KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101205434 554675355 /nfs/dbraw/zinc/67/53/55/554675355.db2.gz APWLYEYWBQTTAV-YAOOYPAMSA-N 0 0 528.008 4.541 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101205438 554675362 /nfs/dbraw/zinc/67/53/62/554675362.db2.gz APWLYEYWBQTTAV-XUJYPJAKSA-N 0 0 528.008 4.541 50 0 KJAARN CCCCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205679 554675642 /nfs/dbraw/zinc/67/56/42/554675642.db2.gz DOUGMLWDCXCBBD-QWPPCQAFSA-N 0 0 558.517 4.567 50 0 biogenic KJAARN CCCCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205682 554675623 /nfs/dbraw/zinc/67/56/23/554675623.db2.gz DOUGMLWDCXCBBD-AEQXRQRWSA-N 0 0 558.517 4.567 50 0 biogenic KJAARN C[C@@H]1CCCC[C@@H]1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205893 554675788 /nfs/dbraw/zinc/67/57/88/554675788.db2.gz COBFLZFGGUGVJY-WPGUEANXSA-N 0 0 570.528 4.566 50 0 biogenic KJAARN Cc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1 ZINC000101206196 554676041 /nfs/dbraw/zinc/67/60/41/554676041.db2.gz DVEMTLPZXZEGRU-KBBGZRRDSA-N 0 0 548.083 4.695 50 0 biogenic KJAARN Cc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)cc1 ZINC000101206198 554676047 /nfs/dbraw/zinc/67/60/47/554676047.db2.gz DVEMTLPZXZEGRU-YQXAMQIPSA-N 0 0 548.083 4.695 50 0 biogenic KJAARN COc1ccccc1CN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101208225 554677488 /nfs/dbraw/zinc/67/74/88/554677488.db2.gz JLOGDBVNRZJBRW-QGTBSMAUSA-N 0 0 557.691 4.557 50 0 biogenic KJAARN COc1ccccc1CN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101208228 554677490 /nfs/dbraw/zinc/67/74/90/554677490.db2.gz JLOGDBVNRZJBRW-AXGKCNHXSA-N 0 0 557.691 4.557 50 0 biogenic KJAARN CCOc1ccccc1CN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101208524 554677712 /nfs/dbraw/zinc/67/77/12/554677712.db2.gz BPVDBGQCJBXUJA-QRHBHCOUSA-N 0 0 571.718 4.947 50 0 biogenic KJAARN CCOc1ccccc1CN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101208525 554677732 /nfs/dbraw/zinc/67/77/32/554677732.db2.gz BPVDBGQCJBXUJA-LNVHHCMDSA-N 0 0 571.718 4.947 50 0 biogenic KJAARN CC(C)Cn1c(CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000101213224 554680438 /nfs/dbraw/zinc/68/04/38/554680438.db2.gz KWRCPFHPMJQJGL-UHFFFAOYSA-N 0 0 544.073 4.948 50 0 KJAARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000101213239 554680498 /nfs/dbraw/zinc/68/04/98/554680498.db2.gz DOBHVABSGZTJFD-DDOIHHOZSA-N 0 0 524.326 4.752 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3)n2Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000101213619 554680523 /nfs/dbraw/zinc/68/05/23/554680523.db2.gz KNFPINMWHUJROU-LJAQVGFWSA-N 0 0 559.688 4.735 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3)n2Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000101213622 554680461 /nfs/dbraw/zinc/68/04/61/554680461.db2.gz KNFPINMWHUJROU-GDLZYMKVSA-N 0 0 559.688 4.735 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000101213983 554680506 /nfs/dbraw/zinc/68/05/06/554680506.db2.gz FBEFUPRNPYBQAD-UHFFFAOYSA-N 0 0 547.677 4.511 50 0 KJAARN COc1cccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000101214469 554680785 /nfs/dbraw/zinc/68/07/85/554680785.db2.gz UHIYXRMGZPMUFJ-NDEPHWFRSA-N 0 0 577.678 4.874 50 0 KJAARN COc1cccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000101214474 554680690 /nfs/dbraw/zinc/68/06/90/554680690.db2.gz UHIYXRMGZPMUFJ-MUUNZHRXSA-N 0 0 577.678 4.874 50 0 KJAARN COC(=O)c1cccc(CSc2nc3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc3n2C[C@@H]2CCCO2)c1 ZINC000101214491 554680714 /nfs/dbraw/zinc/68/07/14/554680714.db2.gz AQZXZIUXVFOQAG-KNQAVFIVSA-N 0 0 543.711 4.715 50 0 KJAARN COC(=O)c1cccc(CSc2nc3cc(S(=O)(=O)N4CCC[C@H](C)C4)ccc3n2C[C@@H]2CCCO2)c1 ZINC000101214495 554680775 /nfs/dbraw/zinc/68/07/75/554680775.db2.gz AQZXZIUXVFOQAG-UGKGYDQZSA-N 0 0 543.711 4.715 50 0 KJAARN COc1cccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3cccc(Cl)c3)n2C(C)C)C[C@@H]2CCCO2)c1 ZINC000101214520 554680718 /nfs/dbraw/zinc/68/07/18/554680718.db2.gz IPIWMDZLSMSTKW-VWLOTQADSA-N 0 0 546.089 4.921 50 0 KJAARN COc1cccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3cccc(Cl)c3)n2C(C)C)C[C@H]2CCCO2)c1 ZINC000101214526 554680762 /nfs/dbraw/zinc/68/07/62/554680762.db2.gz IPIWMDZLSMSTKW-RUZDIDTESA-N 0 0 546.089 4.921 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000101214528 554680699 /nfs/dbraw/zinc/68/06/99/554680699.db2.gz PIIGGUKNSONJGT-UHFFFAOYSA-N 0 0 541.523 4.790 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)n1 ZINC000101214534 554680791 /nfs/dbraw/zinc/68/07/91/554680791.db2.gz XTCARTVCXIWHIZ-UHFFFAOYSA-N 0 0 541.523 4.790 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccc(OC)cc1 ZINC000101214603 554680794 /nfs/dbraw/zinc/68/07/94/554680794.db2.gz ZYGMTSHZCYGMKT-UHFFFAOYSA-N 0 0 551.587 4.508 50 0 KJAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2nc1SCc1cccc(C(=O)OC)c1 ZINC000101214652 554680673 /nfs/dbraw/zinc/68/06/73/554680673.db2.gz ZNZVTZYXYYEYOF-FQEVSTJZSA-N 0 0 545.727 4.962 50 0 KJAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2nc1SCc1cccc(C(=O)OC)c1 ZINC000101214658 554680725 /nfs/dbraw/zinc/68/07/25/554680725.db2.gz ZNZVTZYXYYEYOF-HXUWFJFHSA-N 0 0 545.727 4.962 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000101214681 554680787 /nfs/dbraw/zinc/68/07/87/554680787.db2.gz WVGWCXYZVWMIIN-NDEPHWFRSA-N 0 0 577.678 4.874 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000101214684 554680721 /nfs/dbraw/zinc/68/07/21/554680721.db2.gz WVGWCXYZVWMIIN-MUUNZHRXSA-N 0 0 577.678 4.874 50 0 KJAARN CC(=O)Oc1ccccc1CSc1nc2cc(S(=O)(=O)N3CCC[C@@H](C)C3)ccc2n1C[C@@H]1CCCO1 ZINC000101214813 554680916 /nfs/dbraw/zinc/68/09/16/554680916.db2.gz KYVLVHMJRLXCPG-KNQAVFIVSA-N 0 0 543.711 4.854 50 0 KJAARN CC(=O)Oc1ccccc1CSc1nc2cc(S(=O)(=O)N3CCC[C@H](C)C3)ccc2n1C[C@@H]1CCCO1 ZINC000101214818 554680996 /nfs/dbraw/zinc/68/09/96/554680996.db2.gz KYVLVHMJRLXCPG-UGKGYDQZSA-N 0 0 543.711 4.854 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2 ZINC000101215024 554680954 /nfs/dbraw/zinc/68/09/54/554680954.db2.gz BYSHBNSRFUUEBQ-UHFFFAOYSA-N 0 0 545.661 4.932 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1Cl ZINC000101215235 554680912 /nfs/dbraw/zinc/68/09/12/554680912.db2.gz PAJVEDKWVMFXER-NRFANRHFSA-N 0 0 584.497 4.771 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1Cl ZINC000101215238 554680950 /nfs/dbraw/zinc/68/09/50/554680950.db2.gz PAJVEDKWVMFXER-OAQYLSRUSA-N 0 0 584.497 4.771 50 0 KJAARN CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2cccc3ccccc32)CO1 ZINC000101215840 554682021 /nfs/dbraw/zinc/68/20/21/554682021.db2.gz MUTXNCOTNDUIRF-UHFFFAOYSA-N 0 0 514.607 4.628 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3C)n2CC(C)C)C[C@@H]2CCCO2)cc1 ZINC000101215879 554682339 /nfs/dbraw/zinc/68/23/39/554682339.db2.gz YPRBTDBAOLHGQG-MHZLTWQESA-N 0 0 539.698 4.651 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3C)n2CC(C)C)C[C@H]2CCCO2)cc1 ZINC000101215880 554682205 /nfs/dbraw/zinc/68/22/05/554682205.db2.gz YPRBTDBAOLHGQG-HHHXNRCGSA-N 0 0 539.698 4.651 50 0 KJAARN COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCN(C(=O)COc2ccccc2F)CC1 ZINC000101216601 554684173 /nfs/dbraw/zinc/68/41/73/554684173.db2.gz CQLVJICGDKSETN-UHFFFAOYSA-N 0 0 537.595 4.963 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(N4CCOCC4)cc3)nnc2-c2ccccc2OC)cc1 ZINC000101217794 554685084 /nfs/dbraw/zinc/68/50/84/554685084.db2.gz ARDCLYMQNINNBP-UHFFFAOYSA-N 0 0 545.665 4.909 50 0 KJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(N4CCOCC4)cc3)nnc2-c2ccccc2)cc1OC ZINC000101218457 554685468 /nfs/dbraw/zinc/68/54/68/554685468.db2.gz DYKJFWOZVJYAMF-UHFFFAOYSA-N 0 0 531.638 4.519 50 0 KJAARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224269 554688198 /nfs/dbraw/zinc/68/81/98/554688198.db2.gz ZXHVJWVKXLIFDJ-FQLXRVMXSA-N 0 0 586.714 4.955 50 0 KJAARN CCOc1ccc([C@H]2[C@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224274 554688177 /nfs/dbraw/zinc/68/81/77/554688177.db2.gz ZXHVJWVKXLIFDJ-WDYNHAJCSA-N 0 0 586.714 4.955 50 0 KJAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224281 554688173 /nfs/dbraw/zinc/68/81/73/554688173.db2.gz ZXHVJWVKXLIFDJ-URLMMPGGSA-N 0 0 586.714 4.955 50 0 KJAARN CCOc1ccc([C@H]2[C@@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224287 554688153 /nfs/dbraw/zinc/68/81/53/554688153.db2.gz ZXHVJWVKXLIFDJ-VMPREFPWSA-N 0 0 586.714 4.955 50 0 KJAARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224294 554688200 /nfs/dbraw/zinc/68/82/00/554688200.db2.gz UGIUWNKWXBGMAK-VSGBNLITSA-N 0 0 556.688 4.947 50 0 KJAARN CCOc1ccc([C@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224301 554688184 /nfs/dbraw/zinc/68/81/84/554688184.db2.gz UGIUWNKWXBGMAK-IZLXSDGUSA-N 0 0 556.688 4.947 50 0 KJAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224304 554688210 /nfs/dbraw/zinc/68/82/10/554688210.db2.gz UGIUWNKWXBGMAK-WUFINQPMSA-N 0 0 556.688 4.947 50 0 KJAARN CCOc1ccc([C@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224308 554688202 /nfs/dbraw/zinc/68/82/02/554688202.db2.gz UGIUWNKWXBGMAK-NSOVKSMOSA-N 0 0 556.688 4.947 50 0 KJAARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224326 554688204 /nfs/dbraw/zinc/68/82/04/554688204.db2.gz UXGQFZNSLMDLKP-VSGBNLITSA-N 0 0 534.056 4.990 50 0 KJAARN CCOc1ccc([C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224331 554688188 /nfs/dbraw/zinc/68/81/88/554688188.db2.gz UXGQFZNSLMDLKP-IZLXSDGUSA-N 0 0 534.056 4.990 50 0 KJAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224336 554688213 /nfs/dbraw/zinc/68/82/13/554688213.db2.gz UXGQFZNSLMDLKP-WUFINQPMSA-N 0 0 534.056 4.990 50 0 KJAARN CCOc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224343 554688145 /nfs/dbraw/zinc/68/81/45/554688145.db2.gz UXGQFZNSLMDLKP-NSOVKSMOSA-N 0 0 534.056 4.990 50 0 KJAARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224354 554688192 /nfs/dbraw/zinc/68/81/92/554688192.db2.gz LMURIHVRMSORCY-FQLXRVMXSA-N 0 0 564.082 4.999 50 0 KJAARN CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224357 554688163 /nfs/dbraw/zinc/68/81/63/554688163.db2.gz LMURIHVRMSORCY-WDYNHAJCSA-N 0 0 564.082 4.999 50 0 KJAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224360 554688392 /nfs/dbraw/zinc/68/83/92/554688392.db2.gz LMURIHVRMSORCY-URLMMPGGSA-N 0 0 564.082 4.999 50 0 KJAARN CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224363 554688353 /nfs/dbraw/zinc/68/83/53/554688353.db2.gz LMURIHVRMSORCY-VMPREFPWSA-N 0 0 564.082 4.999 50 0 KJAARN CCOc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224446 554688332 /nfs/dbraw/zinc/68/83/32/554688332.db2.gz HEXOJDXWYMELFF-ROJLCIKYSA-N 0 0 603.163 4.700 50 0 KJAARN CCOc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224453 554688402 /nfs/dbraw/zinc/68/84/02/554688402.db2.gz HEXOJDXWYMELFF-ZWXJPIIXSA-N 0 0 603.163 4.700 50 0 KJAARN CCOc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224458 554688432 /nfs/dbraw/zinc/68/84/32/554688432.db2.gz HEXOJDXWYMELFF-AJQTZOPKSA-N 0 0 603.163 4.700 50 0 KJAARN CCOc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224462 554688421 /nfs/dbraw/zinc/68/84/21/554688421.db2.gz HEXOJDXWYMELFF-ACHIHNKUSA-N 0 0 603.163 4.700 50 0 KJAARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OCC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224488 554688451 /nfs/dbraw/zinc/68/84/51/554688451.db2.gz JBDPIIODDGHUAU-LOYHVIPDSA-N 0 0 543.664 4.736 50 0 KJAARN CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3OCC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224493 554688339 /nfs/dbraw/zinc/68/83/39/554688339.db2.gz JBDPIIODDGHUAU-IHLOFXLRSA-N 0 0 543.664 4.736 50 0 KJAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OCC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224497 554688311 /nfs/dbraw/zinc/68/83/11/554688311.db2.gz JBDPIIODDGHUAU-XZWHSSHBSA-N 0 0 543.664 4.736 50 0 KJAARN CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OCC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224500 554688363 /nfs/dbraw/zinc/68/83/63/554688363.db2.gz JBDPIIODDGHUAU-KYJUHHDHSA-N 0 0 543.664 4.736 50 0 KJAARN CCOc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224503 554688684 /nfs/dbraw/zinc/68/86/84/554688684.db2.gz QAEODONKAWXAEZ-LOYHVIPDSA-N 0 0 543.664 4.654 50 0 KJAARN CCOc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224507 554688711 /nfs/dbraw/zinc/68/87/11/554688711.db2.gz QAEODONKAWXAEZ-IHLOFXLRSA-N 0 0 543.664 4.654 50 0 KJAARN CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224511 554688690 /nfs/dbraw/zinc/68/86/90/554688690.db2.gz QAEODONKAWXAEZ-XZWHSSHBSA-N 0 0 543.664 4.654 50 0 KJAARN CCOc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000101224514 554688676 /nfs/dbraw/zinc/68/86/76/554688676.db2.gz QAEODONKAWXAEZ-KYJUHHDHSA-N 0 0 543.664 4.654 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[nH]3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101229225 554689185 /nfs/dbraw/zinc/68/91/85/554689185.db2.gz LCVACUAOMKFNLH-VWLOTQADSA-N 0 0 572.597 4.866 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[nH]3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101229227 554689168 /nfs/dbraw/zinc/68/91/68/554689168.db2.gz LCVACUAOMKFNLH-RUZDIDTESA-N 0 0 572.597 4.866 50 0 KJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)cc1 ZINC000101229232 554689153 /nfs/dbraw/zinc/68/91/53/554689153.db2.gz WKAPDNDAPJBVJE-QFIPXVFZSA-N 0 0 560.636 4.788 50 0 KJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)cc1 ZINC000101229236 554689158 /nfs/dbraw/zinc/68/91/58/554689158.db2.gz WKAPDNDAPJBVJE-JOCHJYFZSA-N 0 0 560.636 4.788 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[nH]3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101229243 554689140 /nfs/dbraw/zinc/68/91/40/554689140.db2.gz UTVVNQNWNXUFGE-SANMLTNESA-N 0 0 584.633 4.735 50 0 KJAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[nH]3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101229248 554689181 /nfs/dbraw/zinc/68/91/81/554689181.db2.gz UTVVNQNWNXUFGE-AREMUKBSSA-N 0 0 584.633 4.735 50 0 KJAARN Cc1cnn(CCN(Cc2cccc(C(=O)NCc3ccco3)c2)Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000101231203 554689503 /nfs/dbraw/zinc/68/95/03/554689503.db2.gz CEGFWRNRRAQNLG-UHFFFAOYSA-N 0 0 551.647 4.940 50 0 KJAARN CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NCCc2ccccc2)cc1 ZINC000101234122 554689983 /nfs/dbraw/zinc/68/99/83/554689983.db2.gz ITPXAAAZGIZNQJ-AREMUKBSSA-N 0 0 534.678 4.976 50 0 KJAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NCCc2ccccc2)cc1 ZINC000101234126 554689999 /nfs/dbraw/zinc/68/99/99/554689999.db2.gz ITPXAAAZGIZNQJ-SANMLTNESA-N 0 0 534.678 4.976 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234798 554690134 /nfs/dbraw/zinc/69/01/34/554690134.db2.gz LOWFJKUVCRYVKH-FQLXRVMXSA-N 0 0 580.081 4.634 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234803 554690093 /nfs/dbraw/zinc/69/00/93/554690093.db2.gz LOWFJKUVCRYVKH-WDYNHAJCSA-N 0 0 580.081 4.634 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234806 554690115 /nfs/dbraw/zinc/69/01/15/554690115.db2.gz LOWFJKUVCRYVKH-URLMMPGGSA-N 0 0 580.081 4.634 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234810 554690117 /nfs/dbraw/zinc/69/01/17/554690117.db2.gz LOWFJKUVCRYVKH-VMPREFPWSA-N 0 0 580.081 4.634 50 0 KJAARN COc1cc(CN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]2CCCCNC2=O)ccc1OCCc1ccccn1 ZINC000101234963 554690154 /nfs/dbraw/zinc/69/01/54/554690154.db2.gz POLYXXRZKJUSKZ-VWLOTQADSA-N 0 0 555.597 4.971 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@@H]4CCCO4)cs3)cc2[C@@H]1c1cccc(F)c1 ZINC000101235128 554690425 /nfs/dbraw/zinc/69/04/25/554690425.db2.gz HGGYKSNRYHDJRM-HOFKKMOUSA-N 0 0 537.657 4.900 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@@H]4CCCO4)cs3)cc2[C@H]1c1cccc(F)c1 ZINC000101235132 554690423 /nfs/dbraw/zinc/69/04/23/554690423.db2.gz HGGYKSNRYHDJRM-WNCULLNHSA-N 0 0 537.657 4.900 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@H]4CCCO4)cs3)cc2[C@@H]1c1cccc(F)c1 ZINC000101235136 554690378 /nfs/dbraw/zinc/69/03/78/554690378.db2.gz HGGYKSNRYHDJRM-KCWPFWIISA-N 0 0 537.657 4.900 50 0 KJAARN CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@H]4CCCO4)cs3)cc2[C@H]1c1cccc(F)c1 ZINC000101235141 554690407 /nfs/dbraw/zinc/69/04/07/554690407.db2.gz HGGYKSNRYHDJRM-YIXXDRMTSA-N 0 0 537.657 4.900 50 0 KJAARN CCN(CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000101235205 554690380 /nfs/dbraw/zinc/69/03/80/554690380.db2.gz YLWVDSAFYFTOFP-FIRIVFDPSA-N 0 0 575.706 4.973 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000101235212 554690429 /nfs/dbraw/zinc/69/04/29/554690429.db2.gz YLWVDSAFYFTOFP-IOWSJCHKSA-N 0 0 575.706 4.973 50 0 KJAARN CCN(CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000101235379 554690705 /nfs/dbraw/zinc/69/07/05/554690705.db2.gz HMTXWIXQRNJAAW-LOYHVIPDSA-N 0 0 561.679 4.664 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000101235389 554690727 /nfs/dbraw/zinc/69/07/27/554690727.db2.gz HMTXWIXQRNJAAW-XZWHSSHBSA-N 0 0 561.679 4.664 50 0 KJAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000101236024 554690645 /nfs/dbraw/zinc/69/06/45/554690645.db2.gz XBBIEGFKVNGMRY-XJUOHMSHSA-N 0 0 509.356 4.523 50 0 KJAARN Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000101238625 554692774 /nfs/dbraw/zinc/69/27/74/554692774.db2.gz JHSPMOPLNALFDC-UHFFFAOYSA-N 0 0 536.426 4.831 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000101239342 554692934 /nfs/dbraw/zinc/69/29/34/554692934.db2.gz BDWVJTGGGYRJQT-UHFFFAOYSA-N 0 0 566.079 4.848 50 0 KJAARN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000101240711 554693141 /nfs/dbraw/zinc/69/31/41/554693141.db2.gz KNNPXRVDEKMFOZ-XPNTWCBSSA-N 0 0 527.346 4.744 50 0 KJAARN COc1cc(CN2C(=O)c3cccc(N4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)c3C2=O)cc(OC)c1OC ZINC000101246439 554693590 /nfs/dbraw/zinc/69/35/90/554693590.db2.gz QTXCAGSGHSZYBN-UHFFFAOYSA-N 0 0 585.579 4.729 50 0 KJAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000101262195 554697434 /nfs/dbraw/zinc/69/74/34/554697434.db2.gz POJOHIZICTWFIB-XQNUDUSMSA-N 0 0 524.326 4.752 50 0 KJAARN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000101263113 554697591 /nfs/dbraw/zinc/69/75/91/554697591.db2.gz VBJAPNRUVRFFGG-XPWALMASSA-N 0 0 510.377 4.570 50 0 KJAARN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000101263114 554697679 /nfs/dbraw/zinc/69/76/79/554697679.db2.gz VBJAPNRUVRFFGG-VJBWXMMDSA-N 0 0 510.377 4.570 50 0 KJAARN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101263116 554697575 /nfs/dbraw/zinc/69/75/75/554697575.db2.gz VBJAPNRUVRFFGG-RJGXRXQPSA-N 0 0 510.377 4.570 50 0 KJAARN COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1 ZINC000101263122 554697556 /nfs/dbraw/zinc/69/75/56/554697556.db2.gz RHWGIEUEWUDEIY-XPWALMASSA-N 0 0 510.377 4.570 50 0 KJAARN COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1 ZINC000101263124 554697616 /nfs/dbraw/zinc/69/76/16/554697616.db2.gz RHWGIEUEWUDEIY-VJBWXMMDSA-N 0 0 510.377 4.570 50 0 KJAARN COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1 ZINC000101263126 554697713 /nfs/dbraw/zinc/69/77/13/554697713.db2.gz RHWGIEUEWUDEIY-RJGXRXQPSA-N 0 0 510.377 4.570 50 0 KJAARN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1 ZINC000101263137 554697894 /nfs/dbraw/zinc/69/78/94/554697894.db2.gz URCPKWWDDFCQLJ-FSSWDIPSSA-N 0 0 524.802 4.671 50 0 KJAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3cccnc3)s2)cc1 ZINC000101263222 554697911 /nfs/dbraw/zinc/69/79/11/554697911.db2.gz CCKSOMPHCXEARG-UHFFFAOYSA-N 0 0 520.057 4.778 50 0 KJAARN COc1ccc(C(O)=C2[C@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000101264143 554697914 /nfs/dbraw/zinc/69/79/14/554697914.db2.gz FGMSHBCQTMLNII-CNNODRBYSA-N 0 0 539.304 4.822 50 0 KJAARN COc1ccc(C(O)=C2[C@@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000101264149 554697782 /nfs/dbraw/zinc/69/77/82/554697782.db2.gz FGMSHBCQTMLNII-NNMXDRDESA-N 0 0 539.304 4.822 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(OC)cc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266193 554698740 /nfs/dbraw/zinc/69/87/40/554698740.db2.gz SJPDXAXDVRFUJA-SKCUWOTOSA-N 0 0 550.608 4.861 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(OC)cc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266196 554698797 /nfs/dbraw/zinc/69/87/97/554698797.db2.gz SJPDXAXDVRFUJA-DFHRPNOPSA-N 0 0 550.608 4.861 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(OC)cc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266198 554698750 /nfs/dbraw/zinc/69/87/50/554698750.db2.gz SJPDXAXDVRFUJA-RBISFHTESA-N 0 0 550.608 4.861 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)cc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266201 554698819 /nfs/dbraw/zinc/69/88/19/554698819.db2.gz SJPDXAXDVRFUJA-DWACAAAGSA-N 0 0 550.608 4.861 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(OC)c(OC)c3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266207 554698821 /nfs/dbraw/zinc/69/88/21/554698821.db2.gz HIZNQNBFWVORRD-SKCUWOTOSA-N 0 0 550.608 4.861 50 0 KJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(OC)c(OC)c3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266210 554698776 /nfs/dbraw/zinc/69/87/76/554698776.db2.gz HIZNQNBFWVORRD-DFHRPNOPSA-N 0 0 550.608 4.861 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266213 554698828 /nfs/dbraw/zinc/69/88/28/554698828.db2.gz HIZNQNBFWVORRD-RBISFHTESA-N 0 0 550.608 4.861 50 0 KJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266216 554698810 /nfs/dbraw/zinc/69/88/10/554698810.db2.gz HIZNQNBFWVORRD-DWACAAAGSA-N 0 0 550.608 4.861 50 0 KJAARN 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CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000101269444 554700305 /nfs/dbraw/zinc/70/03/05/554700305.db2.gz NARXTILTMVCODB-VSGBNLITSA-N 0 0 581.742 4.921 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000101269446 554700290 /nfs/dbraw/zinc/70/02/90/554700290.db2.gz NARXTILTMVCODB-NSOVKSMOSA-N 0 0 581.742 4.921 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000101269449 554700281 /nfs/dbraw/zinc/70/02/81/554700281.db2.gz NARXTILTMVCODB-WUFINQPMSA-N 0 0 581.742 4.921 50 0 KJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCCc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)CC1 ZINC000101271077 554700773 /nfs/dbraw/zinc/70/07/73/554700773.db2.gz VHJBXJPQDPUVGL-UHFFFAOYSA-N 0 0 541.121 4.785 50 0 KJAARN COc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(F)c(Cl)c2)CCN(C(C)=O)C4)cc(OC)c1 ZINC000101271645 554700771 /nfs/dbraw/zinc/70/07/71/554700771.db2.gz ZRGKTWIBTKHTQP-UHFFFAOYSA-N 0 0 603.097 4.892 50 0 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CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccccc2F)sc2c3CCN(C(C)=O)C2)cc1 ZINC000101271963 554701056 /nfs/dbraw/zinc/70/10/56/554701056.db2.gz NGICGEBKMGFZNU-UHFFFAOYSA-N 0 0 552.653 4.620 50 0 KJAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)NCc2ccccc2Cl)sc2c3CCN(C(C)=O)C2)cc1 ZINC000101271964 554701031 /nfs/dbraw/zinc/70/10/31/554701031.db2.gz UGUVQPNVXSSPGY-UHFFFAOYSA-N 0 0 583.135 4.812 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3sc4c(c3c2=O)CCN(C(C)=O)C4)cc1 ZINC000101272012 554700994 /nfs/dbraw/zinc/70/09/94/554700994.db2.gz NSMIUEJWUQKKNK-UHFFFAOYSA-N 0 0 548.690 4.790 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(-c3cccc(Cl)c3)c2=O)c(OC)c1 ZINC000101272018 554701037 /nfs/dbraw/zinc/70/10/37/554701037.db2.gz KQFQBAAVXFVEAP-UHFFFAOYSA-N 0 0 521.982 4.676 50 0 KJAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000101272124 554701010 /nfs/dbraw/zinc/70/10/10/554701010.db2.gz OVDBUZSETWGPMI-XQNUDUSMSA-N 0 0 524.326 4.752 50 0 KJAARN COc1ccc(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1Cl ZINC000101272350 554700976 /nfs/dbraw/zinc/70/09/76/554700976.db2.gz OMMVETXPQIRVLN-UHFFFAOYSA-N 0 0 523.973 4.866 50 0 KJAARN COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccccc4C)ncc3S2(=O)=O)c1 ZINC000101272385 554701074 /nfs/dbraw/zinc/70/10/74/554701074.db2.gz SRFSAHGJFKEMAU-UHFFFAOYSA-N 0 0 532.647 4.900 50 0 KJAARN COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccc(F)cc4)ncc3S2(=O)=O)c1 ZINC000101272530 554701247 /nfs/dbraw/zinc/70/12/47/554701247.db2.gz BQZAPJXRQYVXHJ-UHFFFAOYSA-N 0 0 536.610 4.731 50 0 KJAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCN(c5cc(C)ccc5C)CC4)nc23)cc1 ZINC000101272779 554701200 /nfs/dbraw/zinc/70/12/00/554701200.db2.gz XRBNWODZFSNHIK-UHFFFAOYSA-N 0 0 532.695 4.678 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(N4CCN(c5cccc(Cl)c5)CC4)nc23)c1 ZINC000101272780 554701176 /nfs/dbraw/zinc/70/11/76/554701176.db2.gz CHECQPOERNWFES-UHFFFAOYSA-N 0 0 539.086 4.769 50 0 KJAARN COc1ccc(OC)c(NC(=O)Cn2c3c4ccccc4sc3c(=O)n(-c3cccc(Cl)c3)c2=O)c1 ZINC000101272785 554701224 /nfs/dbraw/zinc/70/12/24/554701224.db2.gz UYESFXJDFWPTPI-UHFFFAOYSA-N 0 0 521.982 4.676 50 0 KJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)N[C@@H](C)CCc3ccccc3)c2n1 ZINC000101272864 554701164 /nfs/dbraw/zinc/70/11/64/554701164.db2.gz JHDAOZIBINUNTD-SFHVURJKSA-N 0 0 532.438 4.836 50 0 KJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)N[C@H](C)CCc3ccccc3)c2n1 ZINC000101272868 554701267 /nfs/dbraw/zinc/70/12/67/554701267.db2.gz JHDAOZIBINUNTD-GOSISDBHSA-N 0 0 532.438 4.836 50 0 KJAARN COc1cccc(CN2c3ccccc3-c3nc(SCC(=O)NCc4ccc(C)cc4)ncc3S2(=O)=O)c1 ZINC000101272879 554701259 /nfs/dbraw/zinc/70/12/59/554701259.db2.gz YWEKHDFJFAFCRA-UHFFFAOYSA-N 0 0 546.674 4.578 50 0 KJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)NCc3ccccc3Cl)c2n1 ZINC000101272939 554701258 /nfs/dbraw/zinc/70/12/58/554701258.db2.gz NTULTYACAPOIKN-UHFFFAOYSA-N 0 0 524.802 4.668 50 0 KJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)NCCc3ccc(Cl)cc3)c2n1 ZINC000101272996 554701264 /nfs/dbraw/zinc/70/12/64/554701264.db2.gz UOHJBDSIBYFIDS-UHFFFAOYSA-N 0 0 538.829 4.711 50 0 KJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)NCc3ccc(Cl)cc3)c2n1 ZINC000101273001 554701234 /nfs/dbraw/zinc/70/12/34/554701234.db2.gz SDFXIMRUJDJHJQ-UHFFFAOYSA-N 0 0 524.802 4.668 50 0 KJAARN Cc1cccc(N2CCN(c3nc4c(S(=O)(=O)c5ccc(Cl)cc5)nnn4c4ccsc43)CC2)c1C ZINC000101273077 554701477 /nfs/dbraw/zinc/70/14/77/554701477.db2.gz ZHWHCRZHIHPACM-UHFFFAOYSA-N 0 0 539.086 4.769 50 0 KJAARN CC(C)c1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCN(c5ccc(F)cc5)CC4)nc23)cc1 ZINC000101273080 554701506 /nfs/dbraw/zinc/70/15/06/554701506.db2.gz KDNGPOAAVFUWGW-UHFFFAOYSA-N 0 0 536.658 4.761 50 0 KJAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCN(c5ccc(Cl)cc5)CC4)nc23)cc1 ZINC000101273084 554701499 /nfs/dbraw/zinc/70/14/99/554701499.db2.gz MUUZGGKTBVYDDP-UHFFFAOYSA-N 0 0 539.086 4.714 50 0 KJAARN COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccccc2C)S3(=O)=O)cc1OC ZINC000101273104 554701492 /nfs/dbraw/zinc/70/14/92/554701492.db2.gz FZUNWOAMCXTRLY-UHFFFAOYSA-N 0 0 562.673 4.909 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(F)c1)S2(=O)=O)NCc1ccc(F)cc1 ZINC000101273119 554701483 /nfs/dbraw/zinc/70/14/83/554701483.db2.gz OHPJXADCALIBAT-UHFFFAOYSA-N 0 0 538.601 4.539 50 0 KJAARN O=C1CS(=O)(=O)[C@]2(C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)N1c1cccc(C(F)(F)F)c1 ZINC000101273128 554701408 /nfs/dbraw/zinc/70/14/08/554701408.db2.gz GZSXUBQVAYVWEK-HSZRJFAPSA-N 0 0 520.916 4.520 50 0 KJAARN O=C1CS(=O)(=O)[C@@]2(C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)N1c1cccc(C(F)(F)F)c1 ZINC000101273130 554701454 /nfs/dbraw/zinc/70/14/54/554701454.db2.gz GZSXUBQVAYVWEK-QHCPKHFHSA-N 0 0 520.916 4.520 50 0 KJAARN COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2cccc(C)c2)S3(=O)=O)cc1OC ZINC000101273144 554701424 /nfs/dbraw/zinc/70/14/24/554701424.db2.gz ITGOBEZCRDTSIR-UHFFFAOYSA-N 0 0 562.673 4.909 50 0 KJAARN Cc1ccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccc5c(c4)OCCO5)ncc3S2(=O)=O)cc1 ZINC000101273295 554701606 /nfs/dbraw/zinc/70/16/06/554701606.db2.gz SSOHKHZHHOTQJG-UHFFFAOYSA-N 0 0 560.657 4.663 50 0 KJAARN COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(C)cc2)S3(=O)=O)cc1OC ZINC000101273307 554701610 /nfs/dbraw/zinc/70/16/10/554701610.db2.gz XURBPJYLHXKFLX-UHFFFAOYSA-N 0 0 562.673 4.909 50 0 KJAARN COc1cc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(C)cc2)S3(=O)=O)cc(OC)c1 ZINC000101273420 554701924 /nfs/dbraw/zinc/70/19/24/554701924.db2.gz QBWIXOYYQCKYEK-UHFFFAOYSA-N 0 0 562.673 4.909 50 0 KJAARN CCOc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(Br)cc3)no2)c1=O ZINC000101273591 554701934 /nfs/dbraw/zinc/70/19/34/554701934.db2.gz XKRBLRPWVKSQOB-UHFFFAOYSA-N 0 0 523.387 4.982 50 0 KJAARN Cc1cc(C)n(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c1-c1nc(-c2ccc(Br)cc2)no1 ZINC000101273594 554701914 /nfs/dbraw/zinc/70/19/14/554701914.db2.gz RRXOQNGIQDJNSF-UHFFFAOYSA-N 0 0 541.833 4.957 50 0 KJAARN O=C(NCCN1CCOCC1)c1coc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2Cl)n1 ZINC000101273757 554701887 /nfs/dbraw/zinc/70/18/87/554701887.db2.gz LQUAVCSJZAYAAW-UHFFFAOYSA-N 0 0 536.982 4.611 50 0 KJAARN O=C(NCCN1CCOCC1)c1coc(CN(Cc2ccc(Cl)cc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000101273841 554701928 /nfs/dbraw/zinc/70/19/28/554701928.db2.gz PRYXQOQDGRBGSG-UHFFFAOYSA-N 0 0 536.982 4.611 50 0 KJAARN O=C(NCCN1CCOCC1)c1coc(CN(Cc2cccc(Cl)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000101273865 554701921 /nfs/dbraw/zinc/70/19/21/554701921.db2.gz NYKALOXVRIIPKI-UHFFFAOYSA-N 0 0 536.982 4.611 50 0 KJAARN O=C(NCCN1CCOCC1)c1coc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000101274003 554702160 /nfs/dbraw/zinc/70/21/60/554702160.db2.gz MXMHOSQXJYDKLG-UHFFFAOYSA-N 0 0 570.534 4.977 50 0 KJAARN COc1cccc(-c2nc(COC(=O)c3nnn(-c4ccc(Br)c(C)c4)c3C)c(C)o2)c1OC ZINC000101274293 554702096 /nfs/dbraw/zinc/70/20/96/554702096.db2.gz PFSVCVRNYSQLRE-UHFFFAOYSA-N 0 0 527.375 4.984 50 0 KJAARN COc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(Br)c(C)c4)c3C)c(C)o2)c(OC)c1 ZINC000101274298 554702134 /nfs/dbraw/zinc/70/21/34/554702134.db2.gz LJRVZNHJPXAFDG-UHFFFAOYSA-N 0 0 527.375 4.984 50 0 KJAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(Br)cc2)c1=O)NCc1cccs1 ZINC000101274649 554702342 /nfs/dbraw/zinc/70/23/42/554702342.db2.gz VHDXXSRATZLBQG-UHFFFAOYSA-N 0 0 526.456 4.522 50 0 KJAARN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101274755 554702384 /nfs/dbraw/zinc/70/23/84/554702384.db2.gz ODIIDJFISNHRAN-YCWZKWCFSA-N 0 0 528.008 4.753 50 0 KJAARN CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccc(F)cc4F)n(C)c(=O)c3sc2=S)cc1 ZINC000101274831 554702365 /nfs/dbraw/zinc/70/23/65/554702365.db2.gz NXIFIUHZHJGPIK-UHFFFAOYSA-N 0 0 520.608 4.923 50 0 KJAARN CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccc(F)c(F)c4)n(C)c(=O)c3sc2=S)cc1 ZINC000101274890 554702368 /nfs/dbraw/zinc/70/23/68/554702368.db2.gz ZYOXRYRXLQYSGU-UHFFFAOYSA-N 0 0 520.608 4.923 50 0 KJAARN CC(C)(C)OC(=O)N1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCCO3)C(c1cccs1)=N2 ZINC000101274907 554702345 /nfs/dbraw/zinc/70/23/45/554702345.db2.gz OLDADHSYJZPPGD-UHFFFAOYSA-N 0 0 542.683 4.820 50 0 KJAARN CC(C)(C)OC(=O)N1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1cccs1)=N2 ZINC000101274949 554702642 /nfs/dbraw/zinc/70/26/42/554702642.db2.gz DNMGIAHKTFONER-UHFFFAOYSA-N 0 0 528.656 4.777 50 0 KJAARN COc1cccc(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)N=C2SCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000101275039 554702612 /nfs/dbraw/zinc/70/26/12/554702612.db2.gz SMZBWIMWGNAKHA-UHFFFAOYSA-N 0 0 552.653 4.724 50 0 KJAARN COc1cccc(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)N=C2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000101275042 554702571 /nfs/dbraw/zinc/70/25/71/554702571.db2.gz ZCQHEKXARHDDIH-UHFFFAOYSA-N 0 0 566.680 4.767 50 0 KJAARN CC(C)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)s3)c(N)n2)cc1 ZINC000101275074 554702581 /nfs/dbraw/zinc/70/25/81/554702581.db2.gz QOVPSDRIFBQBCB-UHFFFAOYSA-N 0 0 527.491 4.570 50 0 KJAARN CCOc1ccccc1Cn1c2nnc(SCc3ccc(N4CCCC4=O)cc3)n2c2ccsc2c1=O ZINC000101275234 554702648 /nfs/dbraw/zinc/70/26/48/554702648.db2.gz WLBDVGDIBGYYKH-UHFFFAOYSA-N 0 0 531.663 4.972 50 0 KJAARN CCOc1ccc(Cn2c3nn(Cc4cccc(C(F)(F)F)c4)c(=O)n3c3ccsc3c2=O)cc1OCC ZINC000101275630 554702619 /nfs/dbraw/zinc/70/26/19/554702619.db2.gz LNULUTAZYKEZLC-UHFFFAOYSA-N 0 0 544.555 4.785 50 0 KJAARN CCOc1ccc(Cn2c3nn(Cc4c(F)cccc4Cl)c(=O)n3c3ccsc3c2=O)cc1OCC ZINC000101275637 554702641 /nfs/dbraw/zinc/70/26/41/554702641.db2.gz UYNSUBBMBMLVJU-UHFFFAOYSA-N 0 0 528.993 4.559 50 0 KJAARN COc1ccc(OC)c(S(=O)(=O)N(Cc2ccncc2)Cc2cccc(OCCCc3ccncc3)c2)c1 ZINC000101278282 1066205478 /nfs/dbraw/zinc/20/54/78/1066205478.db2.gz HUIWXRUSIZWIEB-UHFFFAOYSA-N 0 0 533.650 4.897 50 0 KJAARN CCC(=O)N(C(=O)CC)c1c(S(=O)(=O)c2ccccc2)c(SC)nn1Cc1ccc(Br)cc1 ZINC000101279907 554705309 /nfs/dbraw/zinc/70/53/09/554705309.db2.gz MAJGPIBPAKZUHN-UHFFFAOYSA-N 0 0 550.500 4.928 50 0 KJAARN CCC(=O)N(C(=O)CC)c1c(S(=O)(=O)c2ccc(Cl)cc2)c(SC)nn1Cc1cccc(OC)c1 ZINC000101279920 554705329 /nfs/dbraw/zinc/70/53/29/554705329.db2.gz LDALHVKHYALZGQ-UHFFFAOYSA-N 0 0 536.075 4.828 50 0 KJAARN Cc1cc(C)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1S(=O)(=O)c1ccc(Cl)s1 ZINC000101280540 554705334 /nfs/dbraw/zinc/70/53/34/554705334.db2.gz RRSNQIDFBAZMQI-UHFFFAOYSA-N 0 0 533.828 4.553 50 0 KJAARN CCOc1cccc2c1Oc1c(c(=O)n(-c3ccc(CC)cc3)n1CC(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000101280570 554705321 /nfs/dbraw/zinc/70/53/21/554705321.db2.gz ABMOPNAXXCSXTA-UHFFFAOYSA-N 0 0 556.638 4.785 50 0 KJAARN CCOc1ccccc1N1C2=C(Cc3c(CO)cnc(C)c3O2)C(=S)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000101283325 554705434 /nfs/dbraw/zinc/70/54/34/554705434.db2.gz KMGYPXQJCMSWPX-AREMUKBSSA-N 0 0 519.623 4.581 50 0 KJAARN CCOc1ccccc1N1C2=C(Cc3c(CO)cnc(C)c3O2)C(=S)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101283326 554705515 /nfs/dbraw/zinc/70/55/15/554705515.db2.gz KMGYPXQJCMSWPX-SANMLTNESA-N 0 0 519.623 4.581 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289697 554707107 /nfs/dbraw/zinc/70/71/07/554707107.db2.gz RAVACVCDHUXJIC-AHWVRZQESA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289699 554707219 /nfs/dbraw/zinc/70/72/19/554707219.db2.gz RAVACVCDHUXJIC-RSXGOPAZSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289703 554707264 /nfs/dbraw/zinc/70/72/64/554707264.db2.gz RAVACVCDHUXJIC-AZGAKELHSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289709 554707225 /nfs/dbraw/zinc/70/72/25/554707225.db2.gz RAVACVCDHUXJIC-AOYPEHQESA-N 0 0 544.633 4.890 50 0 KJAARN O=C(CSCc1nc(=O)c2c(-c3ccc(Br)cc3)csc2[nH]1)N1CC(=O)Nc2ccccc21 ZINC000101290879 554708024 /nfs/dbraw/zinc/70/80/24/554708024.db2.gz SFGMDDOYZBZALG-UHFFFAOYSA-N 0 0 541.452 4.633 50 0 KJAARN CCOC(=O)C1C(C)=Nc2nc(SCC(=O)c3ccc(Br)cc3)nn2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101292417 554709200 /nfs/dbraw/zinc/70/92/00/554709200.db2.gz VUNORPCITLVKAD-JOCHJYFZSA-N 0 0 573.469 4.885 50 0 KJAARN CCOC(=O)C1C(C)=Nc2nc(SCC(=O)c3ccc(Br)cc3)nn2[C@H]1c1ccc(OC)c(OC)c1 ZINC000101292421 554709152 /nfs/dbraw/zinc/70/91/52/554709152.db2.gz VUNORPCITLVKAD-QFIPXVFZSA-N 0 0 573.469 4.885 50 0 KJAARN CCOC(=O)C1C(C)=Nc2nc(SCC(=O)c3ccc(Cl)cc3)nn2[C@@H]1c1cccc(OC)c1OC ZINC000101292755 554709420 /nfs/dbraw/zinc/70/94/20/554709420.db2.gz QPPWKIDSCYRWDY-OAQYLSRUSA-N 0 0 529.018 4.776 50 0 KJAARN CCOC(=O)C1C(C)=Nc2nc(SCC(=O)c3ccc(Cl)cc3)nn2[C@H]1c1cccc(OC)c1OC ZINC000101292759 554709433 /nfs/dbraw/zinc/70/94/33/554709433.db2.gz QPPWKIDSCYRWDY-NRFANRHFSA-N 0 0 529.018 4.776 50 0 KJAARN CCOC(=O)C1C(C)=Nc2nc(SCC(=O)c3ccc(Br)cc3)nn2[C@@H]1c1ccc(OC)cc1 ZINC000101293241 554709864 /nfs/dbraw/zinc/70/98/64/554709864.db2.gz VFQKJEQFMONUKF-OAQYLSRUSA-N 0 0 543.443 4.876 50 0 KJAARN CCOC(=O)C1C(C)=Nc2nc(SCC(=O)c3ccc(Br)cc3)nn2[C@H]1c1ccc(OC)cc1 ZINC000101293246 554709849 /nfs/dbraw/zinc/70/98/49/554709849.db2.gz VFQKJEQFMONUKF-NRFANRHFSA-N 0 0 543.443 4.876 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(OC)c(OC)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101294781 554711565 /nfs/dbraw/zinc/71/15/65/554711565.db2.gz QQMVTUHMRJYXKH-ZEQKJWHPSA-N 0 0 544.633 4.890 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2coc(CN(CCc3c[nH]c4ccccc34)Cc3cccc(OC)c3)n2)CC1 ZINC000101305110 554714839 /nfs/dbraw/zinc/71/48/39/554714839.db2.gz RYOAQAYGMSYFNY-UHFFFAOYSA-N 0 0 544.652 4.825 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2coc(CN(CCc3c[nH]c4ccccc34)Cc3ccccc3OC)n2)CC1 ZINC000101306872 554715039 /nfs/dbraw/zinc/71/50/39/554715039.db2.gz PJAHFMJSWQFUAR-UHFFFAOYSA-N 0 0 544.652 4.825 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(CN(CCc3c[nH]c4ccccc34)Cc3ccccc3OC)n2)C1 ZINC000101306890 554715077 /nfs/dbraw/zinc/71/50/77/554715077.db2.gz USSHAKOMMRFOIH-XMMPIXPASA-N 0 0 544.652 4.825 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2coc(CN(CCc3c[nH]c4ccccc34)Cc3ccccc3OC)n2)C1 ZINC000101306898 554715082 /nfs/dbraw/zinc/71/50/82/554715082.db2.gz USSHAKOMMRFOIH-DEOSSOPVSA-N 0 0 544.652 4.825 50 0 KJAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)Nc4ccc(C)cc4)CC3)nn2)c1 ZINC000101307241 554715333 /nfs/dbraw/zinc/71/53/33/554715333.db2.gz NYPDKGFXILZBKP-UHFFFAOYSA-N 0 0 568.653 4.983 50 0 KJAARN COc1cc2nc(SCc3cc(=O)n4cc(Cl)ccc4n3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000101307736 554715293 /nfs/dbraw/zinc/71/52/93/554715293.db2.gz RZXAHQTVBBGFOS-UHFFFAOYSA-N 0 0 530.997 4.915 50 0 KJAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)Nc4ccc(C)cc4)CC3)nn2)c1 ZINC000101307918 554715565 /nfs/dbraw/zinc/71/55/65/554715565.db2.gz AOMIAJMRRLIYHQ-UHFFFAOYSA-N 0 0 550.663 4.844 50 0 KJAARN CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)NC1CCCCC1 ZINC000101308109 554715955 /nfs/dbraw/zinc/71/59/55/554715955.db2.gz BEPSORCRGUVNSZ-DEOSSOPVSA-N 0 0 551.717 4.670 50 0 KJAARN CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)NC1CCCCC1 ZINC000101308113 554715948 /nfs/dbraw/zinc/71/59/48/554715948.db2.gz BEPSORCRGUVNSZ-XMMPIXPASA-N 0 0 551.717 4.670 50 0 KJAARN CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1cccc(OC)c1 ZINC000101308131 554715938 /nfs/dbraw/zinc/71/59/38/554715938.db2.gz NNNXVYRETRWXFS-VWLOTQADSA-N 0 0 575.695 4.869 50 0 KJAARN CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)Nc1cccc(OC)c1 ZINC000101308135 554715929 /nfs/dbraw/zinc/71/59/29/554715929.db2.gz NNNXVYRETRWXFS-RUZDIDTESA-N 0 0 575.695 4.869 50 0 KJAARN CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)NCc1ccc(C)cc1 ZINC000101308140 554715943 /nfs/dbraw/zinc/71/59/43/554715943.db2.gz JCXHGNWRPGAEPW-SANMLTNESA-N 0 0 573.723 4.846 50 0 KJAARN CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)NCc1ccc(C)cc1 ZINC000101308146 554715963 /nfs/dbraw/zinc/71/59/63/554715963.db2.gz JCXHGNWRPGAEPW-AREMUKBSSA-N 0 0 573.723 4.846 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3c3nc(CCn4nc(C)cc4C)nn32)cc1Cl ZINC000101308156 554715973 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Cc1ccc(CNC(=O)CCCCCn2c(=O)c3sccc3n(CC(=O)c3ccc(Cl)cc3)c2=O)cc1 ZINC000101319961 554727643 /nfs/dbraw/zinc/72/76/43/554727643.db2.gz QVKDEZXOCQCZCG-UHFFFAOYSA-N 0 0 538.069 4.946 50 0 KJAARN COc1ccc(CCNC(=O)Cn2c3sc(C)c(C)c3c(=O)n(-c3ccc(Cl)c(Cl)c3)c2=O)cc1OC ZINC000101320503 554727996 /nfs/dbraw/zinc/72/79/96/554727996.db2.gz LMNVHBBLJCVFRE-UHFFFAOYSA-N 0 0 562.475 4.514 50 0 KJAARN COC(=O)c1ccccc1NC(=O)Cn1c2sc(C)c(C)c2c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000101320524 554728009 /nfs/dbraw/zinc/72/80/09/554728009.db2.gz FDQICXCFOUAWOE-UHFFFAOYSA-N 0 0 532.405 4.563 50 0 KJAARN CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101321247 554728146 /nfs/dbraw/zinc/72/81/46/554728146.db2.gz DYXCIHVRCBXCAB-GLKSXAEWSA-N 0 0 525.580 4.629 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000101321332 554728232 /nfs/dbraw/zinc/72/82/32/554728232.db2.gz XRCAPQRCOMRCAB-TVNXZVQQSA-N 0 0 541.563 4.792 50 0 KJAARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)N=C2S[C@@H](CC)C(=O)N2CCOCC2)cc1 ZINC000101322271 554728429 /nfs/dbraw/zinc/72/84/29/554728429.db2.gz GQZUYFPAFNISSI-HZBNVGEHSA-N 0 0 537.682 4.987 50 0 KJAARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)N=C2S[C@H](CC)C(=O)N2CCOCC2)cc1 ZINC000101322274 554728442 /nfs/dbraw/zinc/72/84/42/554728442.db2.gz GQZUYFPAFNISSI-VFPBWNIXSA-N 0 0 537.682 4.987 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000101326743 554729166 /nfs/dbraw/zinc/72/91/66/554729166.db2.gz QLTLNMXEVQSQOL-LJAQVGFWSA-N 0 0 551.778 4.916 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326755 554729134 /nfs/dbraw/zinc/72/91/34/554729134.db2.gz JZVQJHZLNDGXBZ-AREMUKBSSA-N 0 0 564.560 4.926 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326759 554729157 /nfs/dbraw/zinc/72/91/57/554729157.db2.gz JZVQJHZLNDGXBZ-SANMLTNESA-N 0 0 564.560 4.926 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326776 554729264 /nfs/dbraw/zinc/72/92/64/554729264.db2.gz LDQNKVSQIWKWCK-RUZDIDTESA-N 0 0 550.533 4.536 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326781 554729206 /nfs/dbraw/zinc/72/92/06/554729206.db2.gz LDQNKVSQIWKWCK-VWLOTQADSA-N 0 0 550.533 4.536 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000101326905 554729194 /nfs/dbraw/zinc/72/91/94/554729194.db2.gz JRIMBRYECDYRFU-NDEPHWFRSA-N 0 0 537.751 4.526 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000101326917 554729176 /nfs/dbraw/zinc/72/91/76/554729176.db2.gz JRIMBRYECDYRFU-MUUNZHRXSA-N 0 0 537.751 4.526 50 0 KJAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326987 554729239 /nfs/dbraw/zinc/72/92/39/554729239.db2.gz FNFLNVCOGQJWAY-HHHXNRCGSA-N 0 0 544.142 4.581 50 0 KJAARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326993 554729311 /nfs/dbraw/zinc/72/93/11/554729311.db2.gz FNFLNVCOGQJWAY-MHZLTWQESA-N 0 0 544.142 4.581 50 0 KJAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000101327005 554729292 /nfs/dbraw/zinc/72/92/92/554729292.db2.gz MYZCZSCQBSPNIS-GDLZYMKVSA-N 0 0 551.778 4.835 50 0 KJAARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000101327015 554729281 /nfs/dbraw/zinc/72/92/81/554729281.db2.gz MYZCZSCQBSPNIS-LJAQVGFWSA-N 0 0 551.778 4.835 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000101327177 554729095 /nfs/dbraw/zinc/72/90/95/554729095.db2.gz KDSIPDLGUVZHAY-NDEPHWFRSA-N 0 0 555.741 4.665 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000101327181 554729321 /nfs/dbraw/zinc/72/93/21/554729321.db2.gz KDSIPDLGUVZHAY-MUUNZHRXSA-N 0 0 555.741 4.665 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101327185 554729214 /nfs/dbraw/zinc/72/92/14/554729214.db2.gz OSGYVHJUUBTRHJ-RUZDIDTESA-N 0 0 568.523 4.675 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101327188 554729272 /nfs/dbraw/zinc/72/92/72/554729272.db2.gz OSGYVHJUUBTRHJ-VWLOTQADSA-N 0 0 568.523 4.675 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c(C)c1 ZINC000101327294 554729543 /nfs/dbraw/zinc/72/95/43/554729543.db2.gz MRNSFGQFVXLCQD-NDEPHWFRSA-N 0 0 555.741 4.683 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327356 554729538 /nfs/dbraw/zinc/72/95/38/554729538.db2.gz XCSDIXDBWJGFJB-LJAQVGFWSA-N 0 0 549.693 4.521 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327359 554729525 /nfs/dbraw/zinc/72/95/25/554729525.db2.gz XCSDIXDBWJGFJB-GDLZYMKVSA-N 0 0 549.693 4.521 50 0 KJAARN O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000101327947 554729518 /nfs/dbraw/zinc/72/95/18/554729518.db2.gz YKANLYZSLOPUHA-NDEPHWFRSA-N 0 0 557.741 4.798 50 0 KJAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000101327949 554729734 /nfs/dbraw/zinc/72/97/34/554729734.db2.gz YKANLYZSLOPUHA-MUUNZHRXSA-N 0 0 557.741 4.798 50 0 KJAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(=O)c2ccccc21)c1ccc(F)cc1 ZINC000101329564 554730230 /nfs/dbraw/zinc/73/02/30/554730230.db2.gz ZMKWZDZENXJVMD-UHFFFAOYSA-N 0 0 570.020 4.859 50 0 KJAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)c2=O)cc1 ZINC000101329578 554730217 /nfs/dbraw/zinc/73/02/17/554730217.db2.gz JAVQTLVSJQXNHM-UHFFFAOYSA-N 0 0 611.098 4.875 50 0 KJAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(=O)c2ccccc21)NCc1ccccc1Cl ZINC000101329588 554730286 /nfs/dbraw/zinc/73/02/86/554730286.db2.gz PRHYTAILSHHFNY-UHFFFAOYSA-N 0 0 615.517 4.807 50 0 KJAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)c2=O)cc1 ZINC000101329807 554730494 /nfs/dbraw/zinc/73/04/94/554730494.db2.gz FZOIEPMRODQKIA-UHFFFAOYSA-N 0 0 581.072 4.785 50 0 KJAARN Cc1cc(C)c(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)c2=O)c(C)c1 ZINC000101329870 554730496 /nfs/dbraw/zinc/73/04/96/554730496.db2.gz VPYFDTKCKFIVDV-UHFFFAOYSA-N 0 0 561.638 4.844 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4ccccc4C)c3=O)cc2)cc1OC ZINC000101330108 554730890 /nfs/dbraw/zinc/73/08/90/554730890.db2.gz CVYFWASDPJCKSN-UHFFFAOYSA-N 0 0 563.654 4.558 50 0 biogenic KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(Cc4ccc(Cl)cc4)c3=O)cc2)cc1OC ZINC000101330113 554730844 /nfs/dbraw/zinc/73/08/44/554730844.db2.gz FXJCVSSJFXWVRQ-UHFFFAOYSA-N 0 0 584.072 4.903 50 0 biogenic KJAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)N3CC=C(c4ccccc4)CC3)c2=O)c(C)c1 ZINC000101330605 554731298 /nfs/dbraw/zinc/73/12/98/554731298.db2.gz BAWHZUMSURXMCB-UHFFFAOYSA-N 0 0 550.659 4.515 50 0 KJAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)N3CC=C(c4ccccc4)CC3)c2=O)c(Cl)c1 ZINC000101330608 554731280 /nfs/dbraw/zinc/73/12/80/554731280.db2.gz NGMHCVARWRXQQW-UHFFFAOYSA-N 0 0 571.077 4.860 50 0 KJAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)N2CC=C(c3ccccc3)CC2)c1=O ZINC000101330609 554731220 /nfs/dbraw/zinc/73/12/20/554731220.db2.gz SSXBZOHSLYPRFA-UHFFFAOYSA-N 0 0 550.659 4.515 50 0 KJAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccccc3Cl)c2=O)cc1Cl ZINC000101331152 554731750 /nfs/dbraw/zinc/73/17/50/554731750.db2.gz GRZAAGBPQXPRIY-UHFFFAOYSA-N 0 0 583.472 4.604 50 0 KJAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccccc2Cl)c1=O ZINC000101331160 554731769 /nfs/dbraw/zinc/73/17/69/554731769.db2.gz RVYIOMKRSFLYFR-UHFFFAOYSA-N 0 0 567.473 4.904 50 0 KJAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccccc3Cl)c2=O)c(C)c1 ZINC000101331163 554731760 /nfs/dbraw/zinc/73/17/60/554731760.db2.gz KUYOSHQBNFHEPA-UHFFFAOYSA-N 0 0 547.055 4.559 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1 ZINC000101331176 554731722 /nfs/dbraw/zinc/73/17/22/554731722.db2.gz YLTCKNFQPLEINW-UHFFFAOYSA-N 0 0 540.019 4.852 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000101331177 554731748 /nfs/dbraw/zinc/73/17/48/554731748.db2.gz TVMULOCMGCOYJL-UHFFFAOYSA-N 0 0 540.019 4.852 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000101331178 554731763 /nfs/dbraw/zinc/73/17/63/554731763.db2.gz QUWBQLWJOFNGFQ-UHFFFAOYSA-N 0 0 540.019 4.852 50 0 KJAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2Cl)c1=O)NCCc1ccccc1 ZINC000101331265 554731914 /nfs/dbraw/zinc/73/19/14/554731914.db2.gz FYDIWLFDSFMJSW-UHFFFAOYSA-N 0 0 567.473 4.638 50 0 KJAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)NCc1ccccc1Cl ZINC000101331277 554731910 /nfs/dbraw/zinc/73/19/10/554731910.db2.gz IHBANFQVTLUWND-UHFFFAOYSA-N 0 0 553.446 4.595 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1 ZINC000101331296 554732035 /nfs/dbraw/zinc/73/20/35/554732035.db2.gz DGDIHOVXKFSEQI-UHFFFAOYSA-N 0 0 597.071 4.751 50 0 KJAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21)Nc1cc(Cl)ccc1Cl ZINC000101331721 554732586 /nfs/dbraw/zinc/73/25/86/554732586.db2.gz MUFGTHUJMCNDIS-UHFFFAOYSA-N 0 0 577.424 4.680 50 0 KJAARN O=C(Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c1=O)Nc1ccc(Cl)cc1 ZINC000101331753 554732579 /nfs/dbraw/zinc/73/25/79/554732579.db2.gz FUNVKTCKXVPLND-UHFFFAOYSA-N 0 0 573.093 4.621 50 0 KJAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c2=O)cc1C ZINC000101331763 554732548 /nfs/dbraw/zinc/73/25/48/554732548.db2.gz AINNMGDIOGZCJG-UHFFFAOYSA-N 0 0 566.702 4.584 50 0 KJAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c2=O)cc1 ZINC000101331775 554732838 /nfs/dbraw/zinc/73/28/38/554732838.db2.gz XZHRIHFEFOGYFU-UHFFFAOYSA-N 0 0 566.702 4.530 50 0 KJAARN O=C(Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c1=O)Nc1cccc(Cl)c1 ZINC000101331796 554732803 /nfs/dbraw/zinc/73/28/03/554732803.db2.gz IWOZDGCGFCGLRD-UHFFFAOYSA-N 0 0 573.093 4.621 50 0 KJAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(=O)c2ccccc21)c1ccccc1 ZINC000101331861 554732835 /nfs/dbraw/zinc/73/28/35/554732835.db2.gz IMPWRSSLCUYFAE-UHFFFAOYSA-N 0 0 538.003 4.678 50 0 KJAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccccc4Cl)cc3)c2=O)cc1 ZINC000101331863 554732899 /nfs/dbraw/zinc/73/28/99/554732899.db2.gz NCVDEAHTSZXLLV-UHFFFAOYSA-N 0 0 597.071 4.832 50 0 KJAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(=O)c2ccccc21)Nc1cccc(F)c1 ZINC000101331878 554732889 /nfs/dbraw/zinc/73/28/89/554732889.db2.gz IGPPSJZONXHLNG-UHFFFAOYSA-N 0 0 571.008 4.573 50 0 KJAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)c3ccc(Cl)c(Cl)c3)c2=O)cc1 ZINC000101332028 554732964 /nfs/dbraw/zinc/73/29/64/554732964.db2.gz ZEGXYNOXEXNHAR-UHFFFAOYSA-N 0 0 538.431 4.758 50 0 KJAARN Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(F)c(Cl)c4)c3=O)cc2)cc1 ZINC000101332110 554732947 /nfs/dbraw/zinc/73/29/47/554732947.db2.gz FMOPVJRUFYSYFO-UHFFFAOYSA-N 0 0 585.035 4.881 50 0 KJAARN Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(Br)cc4)c3=O)cc2)cc1 ZINC000101332121 554733009 /nfs/dbraw/zinc/73/30/09/554733009.db2.gz WRKDKYAMWJQZCI-UHFFFAOYSA-N 0 0 611.496 4.851 50 0 KJAARN O=C(NCc1ccccc1Cl)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1 ZINC000101332125 554732978 /nfs/dbraw/zinc/73/29/78/554732978.db2.gz SBZBXRQYLHGKJJ-UHFFFAOYSA-N 0 0 527.983 4.982 50 0 KJAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(=O)c2ccccc21)NCCC1=CCCCC1 ZINC000101332135 554733284 /nfs/dbraw/zinc/73/32/84/554733284.db2.gz CMPSWIRXNVRNPR-UHFFFAOYSA-N 0 0 585.104 4.802 50 0 KJAARN O=C(NCc1ccccc1Cl)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000101332137 554733290 /nfs/dbraw/zinc/73/32/90/554733290.db2.gz PEVZWUKEFBZUKA-UHFFFAOYSA-N 0 0 527.983 4.982 50 0 KJAARN CN(C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c1=O)C1CCCCC1 ZINC000101332144 554733269 /nfs/dbraw/zinc/73/32/69/554733269.db2.gz GQQYBOFGILZZSI-UHFFFAOYSA-N 0 0 573.093 4.586 50 0 KJAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)ccc3Cl)c2=O)cc1 ZINC000101332158 554733293 /nfs/dbraw/zinc/73/32/93/554733293.db2.gz PBOXXGQJHUSYHR-UHFFFAOYSA-N 0 0 553.446 4.514 50 0 KJAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2=O)cc1)NCc1ccco1 ZINC000101332233 554733243 /nfs/dbraw/zinc/73/32/43/554733243.db2.gz ARCFEUCKEMSINH-UHFFFAOYSA-N 0 0 577.424 4.550 50 0 KJAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)cc(Cl)c3)c2=O)cc1)NCc1ccco1 ZINC000101332243 554733221 /nfs/dbraw/zinc/73/32/21/554733221.db2.gz ZZVQFENDAOEBRZ-UHFFFAOYSA-N 0 0 577.424 4.550 50 0 KJAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3Cl)c2=O)cc1)NCc1ccco1 ZINC000101332258 554733275 /nfs/dbraw/zinc/73/32/75/554733275.db2.gz JFIKUNDKUYIBKC-UHFFFAOYSA-N 0 0 577.424 4.550 50 0 KJAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3Cl)c2=O)cc1)NCc1ccco1 ZINC000101332259 554733258 /nfs/dbraw/zinc/73/32/58/554733258.db2.gz VUGAYXZINVQOOK-UHFFFAOYSA-N 0 0 577.424 4.550 50 0 KJAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)cc(Cl)c3)c2=O)cc1)NCCc1ccccc1 ZINC000101332292 554733453 /nfs/dbraw/zinc/73/34/53/554733453.db2.gz YAJCFYJENKIEGC-UHFFFAOYSA-N 0 0 601.490 4.999 50 0 KJAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3Cl)c2=O)cc1)NCCc1ccccc1 ZINC000101332300 554733468 /nfs/dbraw/zinc/73/34/68/554733468.db2.gz AKUNEBZGTRJSSU-UHFFFAOYSA-N 0 0 601.490 4.999 50 0 KJAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccccc4Cl)cc3)c2=O)cc1 ZINC000101332548 554733421 /nfs/dbraw/zinc/73/34/21/554733421.db2.gz GNKFGQLCYZDJQD-UHFFFAOYSA-N 0 0 581.072 4.996 50 0 KJAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccccc4Cl)cc3)c2=O)cc1 ZINC000101332550 554733426 /nfs/dbraw/zinc/73/34/26/554733426.db2.gz KRKJDRRUJVLZEP-UHFFFAOYSA-N 0 0 567.045 4.742 50 0 KJAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(=O)c2ccccc21)Nc1ccccc1F ZINC000101332567 554733674 /nfs/dbraw/zinc/73/36/74/554733674.db2.gz BMDVVUNIYMUGAB-UHFFFAOYSA-N 0 0 571.008 4.573 50 0 KJAARN Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(C)c(C)c4)c3=O)cc2)cc1 ZINC000101332587 554733713 /nfs/dbraw/zinc/73/37/13/554733713.db2.gz AGOIGSZNKLZTOP-UHFFFAOYSA-N 0 0 560.654 4.705 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000101333016 1066372195 /nfs/dbraw/zinc/37/21/95/1066372195.db2.gz ZGCVUOYYXWVGOI-TVNXZVQQSA-N 0 0 541.563 4.792 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000101333648 554733914 /nfs/dbraw/zinc/73/39/14/554733914.db2.gz UAOHUPLDQJJOKX-JOCHJYFZSA-N 0 0 536.382 4.622 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000101333649 554733907 /nfs/dbraw/zinc/73/39/07/554733907.db2.gz UAOHUPLDQJJOKX-QFIPXVFZSA-N 0 0 536.382 4.622 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)cc1OCC ZINC000101334263 554734073 /nfs/dbraw/zinc/73/40/73/554734073.db2.gz CNTSHWXMXSJYEK-LOYHVIPDSA-N 0 0 544.648 4.697 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)cc1OCC ZINC000101334269 554734129 /nfs/dbraw/zinc/73/41/29/554734129.db2.gz CNTSHWXMXSJYEK-XZWHSSHBSA-N 0 0 544.648 4.697 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)cc1OCC ZINC000101334270 554734111 /nfs/dbraw/zinc/73/41/11/554734111.db2.gz CNTSHWXMXSJYEK-IHLOFXLRSA-N 0 0 544.648 4.697 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)cc1OCC ZINC000101334273 554734114 /nfs/dbraw/zinc/73/41/14/554734114.db2.gz CNTSHWXMXSJYEK-KYJUHHDHSA-N 0 0 544.648 4.697 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000101334479 554734121 /nfs/dbraw/zinc/73/41/21/554734121.db2.gz IICYXMKJJFZVKW-JOCHJYFZSA-N 0 0 556.402 4.932 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000101334481 554734087 /nfs/dbraw/zinc/73/40/87/554734087.db2.gz IICYXMKJJFZVKW-QFIPXVFZSA-N 0 0 556.402 4.932 50 0 KJAARN COc1cc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000101336891 554734363 /nfs/dbraw/zinc/73/43/63/554734363.db2.gz UWEKPBCCLOYVDG-FQEVSTJZSA-N 0 0 543.498 4.728 50 0 KJAARN COc1cc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000101336896 554734315 /nfs/dbraw/zinc/73/43/15/554734315.db2.gz UWEKPBCCLOYVDG-HXUWFJFHSA-N 0 0 543.498 4.728 50 0 KJAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 ZINC000101337679 554734571 /nfs/dbraw/zinc/73/45/71/554734571.db2.gz UVMCVSIYYJVHLQ-SARCPVJPSA-N 0 0 570.454 4.708 50 0 KJAARN CC1(C)[C@H](C(=O)Oc2ccc(/C=c3/sc4nc([C@@H]5COc6ccccc6O5)nn4c3=O)cc2)[C@H]1C=C(Cl)Cl ZINC000101337685 554734597 /nfs/dbraw/zinc/73/45/97/554734597.db2.gz UVMCVSIYYJVHLQ-JIKGSJTLSA-N 0 0 570.454 4.708 50 0 KJAARN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000101340188 554735064 /nfs/dbraw/zinc/73/50/64/554735064.db2.gz YPDPREQJSKDXFD-MRXNPFEDSA-N 0 0 529.865 4.701 50 0 KJAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000101340191 554735062 /nfs/dbraw/zinc/73/50/62/554735062.db2.gz YPDPREQJSKDXFD-INIZCTEOSA-N 0 0 529.865 4.701 50 0 KJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000101340216 554735056 /nfs/dbraw/zinc/73/50/56/554735056.db2.gz LDLQLPIAPGKFQI-INIZCTEOSA-N 0 0 549.390 4.938 50 0 KJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000101340218 554735086 /nfs/dbraw/zinc/73/50/86/554735086.db2.gz LDLQLPIAPGKFQI-MRXNPFEDSA-N 0 0 549.390 4.938 50 0 KJAARN CCOc1ccc(OCC)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000101340227 554735066 /nfs/dbraw/zinc/73/50/66/554735066.db2.gz YYLDVBXHZICCLB-LJQANCHMSA-N 0 0 553.500 4.836 50 0 KJAARN CCOc1ccc(OCC)c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000101340230 554735338 /nfs/dbraw/zinc/73/53/38/554735338.db2.gz YYLDVBXHZICCLB-IBGZPJMESA-N 0 0 553.500 4.836 50 0 KJAARN Cn1c2nc(CN(Cc3ccccc3)Cc3ccccc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000101340650 554735421 /nfs/dbraw/zinc/73/54/21/554735421.db2.gz DZBXDKDMMFZUSE-UHFFFAOYSA-N 0 0 548.474 4.991 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000101340662 554735437 /nfs/dbraw/zinc/73/54/37/554735437.db2.gz DAEZJROIAMYOJN-TVNXZVQQSA-N 0 0 541.563 4.792 50 0 KJAARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000101341259 554735516 /nfs/dbraw/zinc/73/55/16/554735516.db2.gz LIHAPFGHEHDVAF-NFQMXDRXSA-N 0 0 544.142 4.579 50 0 KJAARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000101341260 554735687 /nfs/dbraw/zinc/73/56/87/554735687.db2.gz LIHAPFGHEHDVAF-HRFSGMKKSA-N 0 0 544.142 4.579 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1Br ZINC000101343143 554736232 /nfs/dbraw/zinc/73/62/32/554736232.db2.gz QMTLYSXWZCMXNT-LIONHTAISA-N 0 0 529.390 4.856 50 0 KJAARN O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000101343359 554736365 /nfs/dbraw/zinc/73/63/65/554736365.db2.gz PRZFJEDAOXQINJ-WBADGQHESA-N 0 0 505.361 4.511 50 0 KJAARN O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 ZINC000101343360 554736360 /nfs/dbraw/zinc/73/63/60/554736360.db2.gz PRZFJEDAOXQINJ-SSGKUCQKSA-N 0 0 505.361 4.511 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101343684 554736350 /nfs/dbraw/zinc/73/63/50/554736350.db2.gz ABVCTJBTGVEOCP-LWSSLDFYSA-N 0 0 503.480 4.860 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000101343685 554736279 /nfs/dbraw/zinc/73/62/79/554736279.db2.gz ABVCTJBTGVEOCP-YCAMKHIRSA-N 0 0 503.480 4.860 50 0 KJAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101344097 554736611 /nfs/dbraw/zinc/73/66/11/554736611.db2.gz DOBHVABSGZTJFD-ZHSNQQFMSA-N 0 0 524.326 4.752 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1Br ZINC000101344332 554736600 /nfs/dbraw/zinc/73/66/00/554736600.db2.gz UYWXKCLFANPCNP-LIONHTAISA-N 0 0 547.380 4.995 50 0 KJAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101344367 554736631 /nfs/dbraw/zinc/73/66/31/554736631.db2.gz OPAFFMVFAQXOMY-VGHKVXAASA-N 0 0 524.326 4.752 50 0 KJAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 ZINC000101344374 554736875 /nfs/dbraw/zinc/73/68/75/554736875.db2.gz HQSIGFXCYUDQCL-AFXVXQJMSA-N 0 0 505.361 4.511 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4F)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1Br ZINC000101344876 554737116 /nfs/dbraw/zinc/73/71/16/554737116.db2.gz LRPQLIFIQYMTRH-LIONHTAISA-N 0 0 547.380 4.995 50 0 KJAARN O=C(CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000101345558 554737133 /nfs/dbraw/zinc/73/71/33/554737133.db2.gz YBHZFCSFXROBBD-UHFFFAOYSA-N 0 0 549.454 4.851 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3C(=O)N1CC2 ZINC000101351387 554738312 /nfs/dbraw/zinc/73/83/12/554738312.db2.gz PBZUKKNZVIYTQJ-VSGBNLITSA-N 0 0 546.620 4.985 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3C(=O)N1CC2 ZINC000101351389 554738294 /nfs/dbraw/zinc/73/82/94/554738294.db2.gz PBZUKKNZVIYTQJ-IZLXSDGUSA-N 0 0 546.620 4.985 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3C(=O)N1CC2 ZINC000101351390 554738334 /nfs/dbraw/zinc/73/83/34/554738334.db2.gz PBZUKKNZVIYTQJ-WUFINQPMSA-N 0 0 546.620 4.985 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3C(=O)N1CC2 ZINC000101351393 554738325 /nfs/dbraw/zinc/73/83/25/554738325.db2.gz PBZUKKNZVIYTQJ-NSOVKSMOSA-N 0 0 546.620 4.985 50 0 KJAARN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000101351481 554738278 /nfs/dbraw/zinc/73/82/78/554738278.db2.gz ZNCOHUGPDSDAIN-OAQYLSRUSA-N 0 0 560.091 4.926 50 0 KJAARN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000101351482 554738267 /nfs/dbraw/zinc/73/82/67/554738267.db2.gz ZNCOHUGPDSDAIN-NRFANRHFSA-N 0 0 560.091 4.926 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352159 554738498 /nfs/dbraw/zinc/73/84/98/554738498.db2.gz WKVORRJFRTYPPX-ROJLCIKYSA-N 0 0 603.163 4.913 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352162 554738524 /nfs/dbraw/zinc/73/85/24/554738524.db2.gz WKVORRJFRTYPPX-ZWXJPIIXSA-N 0 0 603.163 4.913 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352164 554738460 /nfs/dbraw/zinc/73/84/60/554738460.db2.gz WKVORRJFRTYPPX-AJQTZOPKSA-N 0 0 603.163 4.913 50 0 KJAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352168 554738543 /nfs/dbraw/zinc/73/85/43/554738543.db2.gz WKVORRJFRTYPPX-ACHIHNKUSA-N 0 0 603.163 4.913 50 0 KJAARN O=C(COC(=O)COc1ccc(I)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000101355068 554739615 /nfs/dbraw/zinc/73/96/15/554739615.db2.gz AFNVJDBOPFNYAA-UHFFFAOYSA-N 0 0 513.637 4.524 50 0 KJAARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)ccc1OCc1ccccc1 ZINC000101355709 554739549 /nfs/dbraw/zinc/73/95/49/554739549.db2.gz WPARZNUCGSRTPU-HKBQPEDESA-N 0 0 618.756 4.882 50 0 KJAARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)ccc1OCc1ccccc1 ZINC000101355714 554739596 /nfs/dbraw/zinc/73/95/96/554739596.db2.gz WPARZNUCGSRTPU-WJOKGBTCSA-N 0 0 618.756 4.882 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101356543 554740249 /nfs/dbraw/zinc/74/02/49/554740249.db2.gz FHODYBGIAYUNRR-HHHXNRCGSA-N 0 0 583.154 4.855 50 0 KJAARN CCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101356546 554740260 /nfs/dbraw/zinc/74/02/60/554740260.db2.gz FHODYBGIAYUNRR-MHZLTWQESA-N 0 0 583.154 4.855 50 0 KJAARN CC(=O)Nc1ccc(NC=C2C(=O)N(c3cc(Cl)ccc3N3CCOCC3)C(=O)c3ccccc32)cc1 ZINC000101356652 1066482301 /nfs/dbraw/zinc/48/23/01/1066482301.db2.gz KYYCVPDGZJKERR-JJIBRWJFSA-N 0 0 516.985 4.775 50 0 KJAARN COc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)Nc3ccc(Br)cc3Cl)CC2)cc1 ZINC000101357331 554740648 /nfs/dbraw/zinc/74/06/48/554740648.db2.gz BUJNUNMTAGKYTR-QFIPXVFZSA-N 0 0 563.880 4.985 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCC3CC3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101357745 554740949 /nfs/dbraw/zinc/74/09/49/554740949.db2.gz PVNBFLQONRFLBB-FIBWVYCGSA-N 0 0 550.659 4.799 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCC3CC3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101357750 554740869 /nfs/dbraw/zinc/74/08/69/554740869.db2.gz PVNBFLQONRFLBB-BHBYDHKZSA-N 0 0 550.659 4.799 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCC3CC3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101357752 554740924 /nfs/dbraw/zinc/74/09/24/554740924.db2.gz PVNBFLQONRFLBB-OFSOJUDTSA-N 0 0 550.659 4.799 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCC3CC3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101357755 554740932 /nfs/dbraw/zinc/74/09/32/554740932.db2.gz PVNBFLQONRFLBB-POURPWNDSA-N 0 0 550.659 4.799 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC(C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101358005 554741082 /nfs/dbraw/zinc/74/10/82/554741082.db2.gz LSJNLJAMTLUPOS-WNJJXGMVSA-N 0 0 538.648 4.797 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101358006 554741065 /nfs/dbraw/zinc/74/10/65/554741065.db2.gz LSJNLJAMTLUPOS-LITSAYRRSA-N 0 0 538.648 4.797 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC(C)C)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101358007 554741043 /nfs/dbraw/zinc/74/10/43/554741043.db2.gz LSJNLJAMTLUPOS-UHSQPCAPSA-N 0 0 538.648 4.797 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC(C)C)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101358010 554741071 /nfs/dbraw/zinc/74/10/71/554741071.db2.gz LSJNLJAMTLUPOS-GGXMVOPNSA-N 0 0 538.648 4.797 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(C(=O)NCc3ccc(F)cc3)c2)c1 ZINC000101358672 554741362 /nfs/dbraw/zinc/74/13/62/554741362.db2.gz DRGAJEDZYPQSJQ-UHFFFAOYSA-N 0 0 546.643 4.711 50 0 KJAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000101358676 554741328 /nfs/dbraw/zinc/74/13/28/554741328.db2.gz IUMRBKDVHCCQCH-UHFFFAOYSA-N 0 0 546.643 4.711 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101359682 554741728 /nfs/dbraw/zinc/74/17/28/554741728.db2.gz VVNDTHVSNPMBLA-XPGKHFPBSA-N 0 0 513.981 4.811 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000101359684 554741791 /nfs/dbraw/zinc/74/17/91/554741791.db2.gz VVNDTHVSNPMBLA-POTDNYQPSA-N 0 0 513.981 4.811 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101359783 554741718 /nfs/dbraw/zinc/74/17/18/554741718.db2.gz AOIFYMIRSFXXIU-XDZXDJIYSA-N 0 0 541.991 4.705 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000101359785 554741735 /nfs/dbraw/zinc/74/17/35/554741735.db2.gz AOIFYMIRSFXXIU-CWTOASCOSA-N 0 0 541.991 4.705 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CCCC4)CC3)c(C(=O)NCc3ccc(F)cc3)c2)c1 ZINC000101359980 554742075 /nfs/dbraw/zinc/74/20/75/554742075.db2.gz WDVPLFUQWAHHRV-UHFFFAOYSA-N 0 0 558.654 4.855 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000101360089 554742058 /nfs/dbraw/zinc/74/20/58/554742058.db2.gz ZZQJFEHSKIQDOG-UHFFFAOYSA-N 0 0 566.633 4.979 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C4CCCC4)cc3C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000101360148 554742061 /nfs/dbraw/zinc/74/20/61/554742061.db2.gz AUGIHLONJNHYNT-UHFFFAOYSA-N 0 0 558.654 4.855 50 0 KJAARN CCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000101361240 554742796 /nfs/dbraw/zinc/74/27/96/554742796.db2.gz JMGRIYIFUYIJQO-QFIPXVFZSA-N 0 0 536.698 4.800 50 0 KJAARN CCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000101361241 554742739 /nfs/dbraw/zinc/74/27/39/554742739.db2.gz JMGRIYIFUYIJQO-JOCHJYFZSA-N 0 0 536.698 4.800 50 0 KJAARN COc1ccccc1N1CCN(c2ccc(NC(=O)C(C)C)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000101361364 554743052 /nfs/dbraw/zinc/74/30/52/554743052.db2.gz YNQMTCHVRZDZRE-QFIPXVFZSA-N 0 0 536.698 4.656 50 0 KJAARN COc1ccccc1N1CCN(c2ccc(NC(=O)C(C)C)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000101361365 554742992 /nfs/dbraw/zinc/74/29/92/554742992.db2.gz YNQMTCHVRZDZRE-JOCHJYFZSA-N 0 0 536.698 4.656 50 0 KJAARN COc1ccccc1N1CCN(c2ccc(NC(=O)C3CCC3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000101361391 554743023 /nfs/dbraw/zinc/74/30/23/554743023.db2.gz RVOFHLDBVVXPES-QFIPXVFZSA-N 0 0 548.709 4.800 50 0 KJAARN COc1ccccc1N1CCN(c2ccc(NC(=O)C3CCC3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000101361392 554743044 /nfs/dbraw/zinc/74/30/44/554743044.db2.gz RVOFHLDBVVXPES-JOCHJYFZSA-N 0 0 548.709 4.800 50 0 KJAARN Cc1cccc2cc(CN(CCc3ccc(F)cc3)C(=O)Cc3ccc(N4CCNC4=O)cc3)c(N3CCC[C@H](O)C3)nc12 ZINC000101366223 554743964 /nfs/dbraw/zinc/74/39/64/554743964.db2.gz IDBARHMJENWYIV-HKBQPEDESA-N 0 0 595.719 4.987 50 0 KJAARN Cc1cccc2cc(CN(CCc3ccc(F)cc3)C(=O)Cc3ccc(N4CCNC4=O)cc3)c(N3CCC[C@@H](O)C3)nc12 ZINC000101366225 554743973 /nfs/dbraw/zinc/74/39/73/554743973.db2.gz IDBARHMJENWYIV-WJOKGBTCSA-N 0 0 595.719 4.987 50 0 KJAARN CCOC(=O)N1CCN(C(=O)c2ccc(/C=C3\Oc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000101372280 554744618 /nfs/dbraw/zinc/74/46/18/554744618.db2.gz OAUZQMHPCSJPMJ-DIBXZPPDSA-N 0 0 529.568 4.707 50 0 KJAARN O=C(NCCCN1CCOCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372568 554744862 /nfs/dbraw/zinc/74/48/62/554744862.db2.gz GBLWOYKQXYSRTR-RRAHZORUSA-N 0 0 531.653 4.958 50 0 KJAARN O=C(NCCCN1CCOCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000101372767 554745176 /nfs/dbraw/zinc/74/51/76/554745176.db2.gz HNZISONJPMLKJB-RRAHZORUSA-N 0 0 531.653 4.958 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5ccccc5F)CC4)cc3N(C)C2=O)cc1 ZINC000101373131 554745072 /nfs/dbraw/zinc/74/50/72/554745072.db2.gz OFBFWRTWAWCRBG-BRPDVVIDSA-N 0 0 560.695 4.886 50 0 KJAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc2N(C)C1=O ZINC000101373299 554745065 /nfs/dbraw/zinc/74/50/65/554745065.db2.gz GIUUODWOUQNAER-XHLNEMQHSA-N 0 0 560.695 4.886 50 0 KJAARN COc1ccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(=N)C2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000101373888 554745520 /nfs/dbraw/zinc/74/55/20/554745520.db2.gz SCSBZEYROPRAQR-QHCPKHFHSA-N 0 0 539.053 4.964 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccccc5OC)CC4)cc3N(C)C2=O)cc1OC ZINC000101373889 554745513 /nfs/dbraw/zinc/74/55/13/554745513.db2.gz XZUBKSPDZYVNKC-VEILYXNESA-N 0 0 545.661 4.784 50 0 KJAARN COc1ccc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(=N)C2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000101373893 554745516 /nfs/dbraw/zinc/74/55/16/554745516.db2.gz SCSBZEYROPRAQR-HSZRJFAPSA-N 0 0 539.053 4.964 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)cc1OC ZINC000101373910 554745803 /nfs/dbraw/zinc/74/58/03/554745803.db2.gz KFLONNFFIOPUKU-PKAZHMFMSA-N 0 0 533.625 4.915 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3N(C)C2=O)cc1OC ZINC000101373923 554745727 /nfs/dbraw/zinc/74/57/27/554745727.db2.gz JJWWPMXGYOENGC-PKAZHMFMSA-N 0 0 533.625 4.915 50 0 KJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3N(C)C2=O)cc1OC ZINC000101373963 554745745 /nfs/dbraw/zinc/74/57/45/554745745.db2.gz IODPWWJHBWEBIO-YUMHPJSZSA-N 0 0 534.634 4.803 50 0 biogenic KJAARN COc1cccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C(=N)C2S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000101378012 554747331 /nfs/dbraw/zinc/74/73/31/554747331.db2.gz GKNNJBWCFHREFR-QHCPKHFHSA-N 0 0 539.053 4.964 50 0 KJAARN COc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3nnn(-c4ccccc4)c3-c3ccccc3)s2)cc1 ZINC000101378155 554747372 /nfs/dbraw/zinc/74/73/72/554747372.db2.gz RWIPCLRVHDVHKQ-YCNYHXFESA-N 0 0 565.659 4.557 50 0 KJAARN Cc1[nH]c2c(cccc2C(F)(F)F)c1CCNC(Nc1ccccc1Cl)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000101378178 554747314 /nfs/dbraw/zinc/74/73/14/554747314.db2.gz GZAFDBNFGPJGJJ-UHFFFAOYSA-N 0 0 533.938 4.655 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)c1 ZINC000101378332 554747535 /nfs/dbraw/zinc/74/75/35/554747535.db2.gz KDJWEFDHVUUZSM-VWLOTQADSA-N 0 0 532.988 4.850 50 0 KJAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)c1 ZINC000101378333 554747470 /nfs/dbraw/zinc/74/74/70/554747470.db2.gz KDJWEFDHVUUZSM-RUZDIDTESA-N 0 0 532.988 4.850 50 0 KJAARN COc1ccc(C(NCCc2c(C)[nH]c3ccc(OC)cc32)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000101380704 554748022 /nfs/dbraw/zinc/74/80/22/554748022.db2.gz XUPMVUDJKLPGHO-DQSJHHFOSA-N 0 0 538.604 4.628 50 0 KJAARN COc1ccc2[nH]cc(CCNC(c3ccc(Cl)cc3)=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c2c1 ZINC000101380731 554748079 /nfs/dbraw/zinc/74/80/79/554748079.db2.gz BDNONFXLKVQKQA-OCEACIFDSA-N 0 0 528.996 4.965 50 0 KJAARN COc1ccc(C(NCCc2c[nH]c3ccccc23)=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000101380790 554748051 /nfs/dbraw/zinc/74/80/51/554748051.db2.gz FNZNINQJUUJEJA-OCOZRVBESA-N 0 0 559.420 4.765 50 0 KJAARN COc1ccc(C(NCCc2c[nH]c3ccc(OC)cc23)=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000101380792 554748029 /nfs/dbraw/zinc/74/80/29/554748029.db2.gz VKGMTXWWZLKLTL-OCEACIFDSA-N 0 0 589.446 4.774 50 0 KJAARN O=C(NC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000101382873 554748783 /nfs/dbraw/zinc/74/87/83/554748783.db2.gz NLJCPHSWESRKMP-UHFFFAOYSA-N 0 0 602.422 4.880 50 0 KJAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3Cl)N2C1=O)NC1CCCCC1 ZINC000101385107 554749219 /nfs/dbraw/zinc/74/92/19/554749219.db2.gz MFXVLVLQMFCANM-HSZRJFAPSA-N 0 0 552.100 4.577 50 0 KJAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3Cl)N2C1=O)NC1CCCCC1 ZINC000101385112 554749146 /nfs/dbraw/zinc/74/91/46/554749146.db2.gz MFXVLVLQMFCANM-QHCPKHFHSA-N 0 0 552.100 4.577 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NC3CCCCC3)C(=O)N21 ZINC000101385139 554749204 /nfs/dbraw/zinc/74/92/04/554749204.db2.gz ZATOELPTXURQGG-OAQYLSRUSA-N 0 0 568.099 4.908 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NC3CCCCC3)C(=O)N21 ZINC000101385144 554749199 /nfs/dbraw/zinc/74/91/99/554749199.db2.gz ZATOELPTXURQGG-NRFANRHFSA-N 0 0 568.099 4.908 50 0 KJAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(Cl)c3)N2C1=O)NCc1ccccc1 ZINC000101385236 554749163 /nfs/dbraw/zinc/74/91/63/554749163.db2.gz IZCXEBPZDZUQSC-HSZRJFAPSA-N 0 0 546.052 4.767 50 0 KJAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(Cl)c3)N2C1=O)NCc1ccccc1 ZINC000101385239 554749173 /nfs/dbraw/zinc/74/91/73/554749173.db2.gz IZCXEBPZDZUQSC-QHCPKHFHSA-N 0 0 546.052 4.767 50 0 KJAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3Cl)N2C1=O)NCc1ccc(F)cc1 ZINC000101385246 554749423 /nfs/dbraw/zinc/74/94/23/554749423.db2.gz YYWVKQIXHDNLKT-XMMPIXPASA-N 0 0 578.069 4.584 50 0 KJAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3Cl)N2C1=O)NCc1ccc(F)cc1 ZINC000101385251 554749411 /nfs/dbraw/zinc/74/94/11/554749411.db2.gz YYWVKQIXHDNLKT-DEOSSOPVSA-N 0 0 578.069 4.584 50 0 KJAARN Cc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000101385271 554749448 /nfs/dbraw/zinc/74/94/48/554749448.db2.gz CWIIEOINPPPIGH-XMMPIXPASA-N 0 0 543.624 4.561 50 0 KJAARN Cc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000101385272 554749473 /nfs/dbraw/zinc/74/94/73/554749473.db2.gz CWIIEOINPPPIGH-DEOSSOPVSA-N 0 0 543.624 4.561 50 0 KJAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(Cl)c3)N2C1=O)NCc1ccc(F)cc1 ZINC000101385283 554749436 /nfs/dbraw/zinc/74/94/36/554749436.db2.gz SPIVLDOXDLLVSC-HSZRJFAPSA-N 0 0 564.042 4.906 50 0 KJAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(Cl)c3)N2C1=O)NCc1ccc(F)cc1 ZINC000101385287 554749429 /nfs/dbraw/zinc/74/94/29/554749429.db2.gz SPIVLDOXDLLVSC-QHCPKHFHSA-N 0 0 564.042 4.906 50 0 KJAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NC4CCCCC4)C(=O)N32)cc1Cl ZINC000101385426 554749413 /nfs/dbraw/zinc/74/94/13/554749413.db2.gz MJXXWHWCKZVTLP-OAQYLSRUSA-N 0 0 554.072 4.518 50 0 KJAARN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NC4CCCCC4)C(=O)N32)cc1Cl ZINC000101385428 554749470 /nfs/dbraw/zinc/74/94/70/554749470.db2.gz MJXXWHWCKZVTLP-NRFANRHFSA-N 0 0 554.072 4.518 50 0 KJAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385509 554749666 /nfs/dbraw/zinc/74/96/66/554749666.db2.gz FAFMWBMTXZNLLX-AREMUKBSSA-N 0 0 541.652 4.847 50 0 KJAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385513 554749700 /nfs/dbraw/zinc/74/97/00/554749700.db2.gz FAFMWBMTXZNLLX-SANMLTNESA-N 0 0 541.652 4.847 50 0 KJAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385526 554749672 /nfs/dbraw/zinc/74/96/72/554749672.db2.gz IMDZOJJPRPRADN-MUUNZHRXSA-N 0 0 610.740 4.545 50 0 KJAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385528 554749728 /nfs/dbraw/zinc/74/97/28/554749728.db2.gz IMDZOJJPRPRADN-NDEPHWFRSA-N 0 0 610.740 4.545 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)NC1CCCCC1 ZINC000101385595 554749928 /nfs/dbraw/zinc/74/99/28/554749928.db2.gz HTAYAENNTJGYFM-IZLXSDGUSA-N 0 0 600.789 4.735 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)NC1CCCCC1 ZINC000101385598 554749945 /nfs/dbraw/zinc/74/99/45/554749945.db2.gz HTAYAENNTJGYFM-VSGBNLITSA-N 0 0 600.789 4.735 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)NC1CCCCC1 ZINC000101385601 554749890 /nfs/dbraw/zinc/74/98/90/554749890.db2.gz HTAYAENNTJGYFM-NSOVKSMOSA-N 0 0 600.789 4.735 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)NC1CCCCC1 ZINC000101385607 554749900 /nfs/dbraw/zinc/74/99/00/554749900.db2.gz HTAYAENNTJGYFM-WUFINQPMSA-N 0 0 600.789 4.735 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000101385650 554749924 /nfs/dbraw/zinc/74/99/24/554749924.db2.gz UORHVRGGNZEKEG-WDYNHAJCSA-N 0 0 624.767 4.933 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000101385655 554749920 /nfs/dbraw/zinc/74/99/20/554749920.db2.gz UORHVRGGNZEKEG-FQLXRVMXSA-N 0 0 624.767 4.933 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000101385658 554749904 /nfs/dbraw/zinc/74/99/04/554749904.db2.gz UORHVRGGNZEKEG-VMPREFPWSA-N 0 0 624.767 4.933 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000101385660 554749917 /nfs/dbraw/zinc/74/99/17/554749917.db2.gz UORHVRGGNZEKEG-URLMMPGGSA-N 0 0 624.767 4.933 50 0 KJAARN CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21 ZINC000101385669 554749948 /nfs/dbraw/zinc/74/99/48/554749948.db2.gz ZVDDPXFNENDLMY-HHHXNRCGSA-N 0 0 610.740 4.545 50 0 KJAARN CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21 ZINC000101385672 554749893 /nfs/dbraw/zinc/74/98/93/554749893.db2.gz ZVDDPXFNENDLMY-MHZLTWQESA-N 0 0 610.740 4.545 50 0 KJAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385683 554749912 /nfs/dbraw/zinc/74/99/12/554749912.db2.gz UFOJMOOYQZEDNK-RUZDIDTESA-N 0 0 544.080 4.971 50 0 KJAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385685 554749932 /nfs/dbraw/zinc/74/99/32/554749932.db2.gz UFOJMOOYQZEDNK-VWLOTQADSA-N 0 0 544.080 4.971 50 0 KJAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385702 554750172 /nfs/dbraw/zinc/75/01/72/554750172.db2.gz VGQLXTSCJCAJLM-RUZDIDTESA-N 0 0 544.080 4.971 50 0 KJAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385704 554750198 /nfs/dbraw/zinc/75/01/98/554750198.db2.gz VGQLXTSCJCAJLM-VWLOTQADSA-N 0 0 544.080 4.971 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000101385869 554750582 /nfs/dbraw/zinc/75/05/82/554750582.db2.gz JSOINJDDWYAJHN-IZLXSDGUSA-N 0 0 594.741 4.843 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000101385871 554750445 /nfs/dbraw/zinc/75/04/45/554750445.db2.gz JSOINJDDWYAJHN-VSGBNLITSA-N 0 0 594.741 4.843 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000101385873 554750574 /nfs/dbraw/zinc/75/05/74/554750574.db2.gz JSOINJDDWYAJHN-NSOVKSMOSA-N 0 0 594.741 4.843 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000101385875 554750472 /nfs/dbraw/zinc/75/04/72/554750472.db2.gz JSOINJDDWYAJHN-WUFINQPMSA-N 0 0 594.741 4.843 50 0 KJAARN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385877 554750541 /nfs/dbraw/zinc/75/05/41/554750541.db2.gz HIWDGKRJUZEDOF-MUUNZHRXSA-N 0 0 594.741 4.879 50 0 KJAARN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385879 554750479 /nfs/dbraw/zinc/75/04/79/554750479.db2.gz HIWDGKRJUZEDOF-NDEPHWFRSA-N 0 0 594.741 4.879 50 0 KJAARN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCCC2)c(OC)c1 ZINC000101386810 554752787 /nfs/dbraw/zinc/75/27/87/554752787.db2.gz RZFWQFXBVXTGSZ-MHZLTWQESA-N 0 0 572.731 4.915 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000101387267 554753203 /nfs/dbraw/zinc/75/32/03/554753203.db2.gz ZZWBJCIBRPPYDJ-JGCGQSQUSA-N 0 0 595.656 4.875 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000101387268 554753246 /nfs/dbraw/zinc/75/32/46/554753246.db2.gz ZZWBJCIBRPPYDJ-YTTGMZPUSA-N 0 0 595.656 4.875 50 0 KJAARN COc1ccc([C@@H](C(=O)Nc2ccc(OC)cc2OC)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000101387270 554753229 /nfs/dbraw/zinc/75/32/29/554753229.db2.gz KANPMETWTQVHRH-HKBQPEDESA-N 0 0 565.630 4.866 50 0 KJAARN COc1ccc([C@H](C(=O)Nc2ccc(OC)cc2OC)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000101387272 554753177 /nfs/dbraw/zinc/75/31/77/554753177.db2.gz KANPMETWTQVHRH-WJOKGBTCSA-N 0 0 565.630 4.866 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1 ZINC000101387311 554753188 /nfs/dbraw/zinc/75/31/88/554753188.db2.gz VJPWTLWLTKQVCA-JGCGQSQUSA-N 0 0 578.673 4.923 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)c2ccc(OC)cc2)cc1 ZINC000101387314 554753236 /nfs/dbraw/zinc/75/32/36/554753236.db2.gz VJPWTLWLTKQVCA-YTTGMZPUSA-N 0 0 578.673 4.923 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000101387330 554753242 /nfs/dbraw/zinc/75/32/42/554753242.db2.gz JUKIGGXNDCYKCJ-HKBQPEDESA-N 0 0 565.630 4.866 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000101387333 554753239 /nfs/dbraw/zinc/75/32/39/554753239.db2.gz JUKIGGXNDCYKCJ-WJOKGBTCSA-N 0 0 565.630 4.866 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000101387593 554753375 /nfs/dbraw/zinc/75/33/75/554753375.db2.gz OQTYEJNTIVGDRW-HKBQPEDESA-N 0 0 595.656 4.875 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000101387595 554753464 /nfs/dbraw/zinc/75/34/64/554753464.db2.gz YEKNJUWOYUFHCI-WJOKGBTCSA-N 0 0 565.630 4.866 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000101387597 554753433 /nfs/dbraw/zinc/75/34/33/554753433.db2.gz YEKNJUWOYUFHCI-HKBQPEDESA-N 0 0 565.630 4.866 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C2(C(=O)Nc3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC000101387655 554753471 /nfs/dbraw/zinc/75/34/71/554753471.db2.gz PSZFRLVMMPZPIM-UHFFFAOYSA-N 0 0 541.608 4.539 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\C=C\c4ccccc4)c(=O)n32)cc1OC ZINC000101388936 554753687 /nfs/dbraw/zinc/75/36/87/554753687.db2.gz CZELDUHVOIDZEZ-MGOABOMMSA-N 0 0 551.668 4.865 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@H]2CC=CCC2)n1 ZINC000101391148 554754479 /nfs/dbraw/zinc/75/44/79/554754479.db2.gz JTNOMHWBUOKNNQ-YZNIXAGQSA-N 0 0 586.762 4.810 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@H]2CC=CCC2)n1 ZINC000101391150 554754499 /nfs/dbraw/zinc/75/44/99/554754499.db2.gz JTNOMHWBUOKNNQ-FREGXXQWSA-N 0 0 586.762 4.810 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H]2CC=CCC2)n1 ZINC000101391152 554754489 /nfs/dbraw/zinc/75/44/89/554754489.db2.gz JTNOMHWBUOKNNQ-VIZCGCQYSA-N 0 0 586.762 4.810 50 0 KJAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H]2CC=CCC2)n1 ZINC000101391154 554754502 /nfs/dbraw/zinc/75/45/02/554754502.db2.gz JTNOMHWBUOKNNQ-PDDLMNHVSA-N 0 0 586.762 4.810 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000101391358 554754777 /nfs/dbraw/zinc/75/47/77/554754777.db2.gz IBSFRYSVXOZTHY-HKBQPEDESA-N 0 0 596.091 4.725 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000101391361 554754802 /nfs/dbraw/zinc/75/48/02/554754802.db2.gz IBSFRYSVXOZTHY-WJOKGBTCSA-N 0 0 596.091 4.725 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 ZINC000101391375 554754805 /nfs/dbraw/zinc/75/48/05/554754805.db2.gz POIKXYQJVZPWTC-XIFFEERXSA-N 0 0 590.684 4.685 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 ZINC000101391377 554754796 /nfs/dbraw/zinc/75/47/96/554754796.db2.gz POIKXYQJVZPWTC-MGBGTMOVSA-N 0 0 590.684 4.685 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@H]2CC=CCC2)cc1 ZINC000101391379 554754821 /nfs/dbraw/zinc/75/48/21/554754821.db2.gz LWFGSIIEUUFTPJ-UBOZLPQGSA-N 0 0 594.716 4.669 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@H]2CC=CCC2)cc1 ZINC000101391381 554754788 /nfs/dbraw/zinc/75/47/88/554754788.db2.gz LWFGSIIEUUFTPJ-OOOSNSGVSA-N 0 0 594.716 4.669 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H]2CC=CCC2)cc1 ZINC000101391383 554754791 /nfs/dbraw/zinc/75/47/91/554754791.db2.gz LWFGSIIEUUFTPJ-NYFMKLKXSA-N 0 0 594.716 4.669 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H]2CC=CCC2)cc1 ZINC000101391386 554754780 /nfs/dbraw/zinc/75/47/80/554754780.db2.gz LWFGSIIEUUFTPJ-UTONBFNKSA-N 0 0 594.716 4.669 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC=CCC1 ZINC000101391411 554754995 /nfs/dbraw/zinc/75/49/95/554754995.db2.gz PGGKRAYCCDFRFY-UBOZLPQGSA-N 0 0 578.717 4.969 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC=CCC1 ZINC000101391413 554754980 /nfs/dbraw/zinc/75/49/80/554754980.db2.gz PGGKRAYCCDFRFY-OOOSNSGVSA-N 0 0 578.717 4.969 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC=CCC1 ZINC000101391416 554755002 /nfs/dbraw/zinc/75/50/02/554755002.db2.gz PGGKRAYCCDFRFY-NYFMKLKXSA-N 0 0 578.717 4.969 50 0 KJAARN Cc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC=CCC1 ZINC000101391418 554754997 /nfs/dbraw/zinc/75/49/97/554754997.db2.gz PGGKRAYCCDFRFY-UTONBFNKSA-N 0 0 578.717 4.969 50 0 KJAARN COc1ccc([C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000101391446 554754954 /nfs/dbraw/zinc/75/49/54/554754954.db2.gz SYZKSDMVTOTMNC-XIFFEERXSA-N 0 0 590.684 4.685 50 0 KJAARN COc1ccc([C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000101391448 554755018 /nfs/dbraw/zinc/75/50/18/554755018.db2.gz SYZKSDMVTOTMNC-MGBGTMOVSA-N 0 0 590.684 4.685 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000101391451 554754915 /nfs/dbraw/zinc/75/49/15/554754915.db2.gz JCLDWYBBSBGGPG-YTTGMZPUSA-N 0 0 560.658 4.677 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000101391453 554754902 /nfs/dbraw/zinc/75/49/02/554754902.db2.gz JCLDWYBBSBGGPG-JGCGQSQUSA-N 0 0 560.658 4.677 50 0 KJAARN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5ccccn5)C[C@@H]43)C2=O)cc1 ZINC000101391606 554755194 /nfs/dbraw/zinc/75/51/94/554755194.db2.gz VIIJCHKFDAITMS-IRPSRAIASA-N 0 0 563.580 4.938 50 0 KJAARN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5ccccn5)C[C@@H]43)C2=O)cc1 ZINC000101391609 554755176 /nfs/dbraw/zinc/75/51/76/554755176.db2.gz VIIJCHKFDAITMS-VAVYLYDRSA-N 0 0 563.580 4.938 50 0 KJAARN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CCN(c5ccccn5)C[C@@H]43)C2=O)cc1 ZINC000101391642 554755171 /nfs/dbraw/zinc/75/51/71/554755171.db2.gz HINDZKFFIZMCJN-IRPSRAIASA-N 0 0 574.479 4.681 50 0 KJAARN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CCN(c5ccccn5)C[C@@H]43)C2=O)cc1 ZINC000101391645 554755189 /nfs/dbraw/zinc/75/51/89/554755189.db2.gz HINDZKFFIZMCJN-VAVYLYDRSA-N 0 0 574.479 4.681 50 0 KJAARN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccc(Cl)cc4N4CCN(c5ccccn5)C[C@@H]43)C2=O)cc1 ZINC000101391671 554755212 /nfs/dbraw/zinc/75/52/12/554755212.db2.gz HMGXSRUEKJVLTR-IRPSRAIASA-N 0 0 530.028 4.572 50 0 KJAARN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CCN(c5ccccn5)C[C@@H]43)C2=O)cc1 ZINC000101391674 554755198 /nfs/dbraw/zinc/75/51/98/554755198.db2.gz HMGXSRUEKJVLTR-VAVYLYDRSA-N 0 0 530.028 4.572 50 0 KJAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCN(c3ncccn3)C[C@@H]12 ZINC000101391697 554755482 /nfs/dbraw/zinc/75/54/82/554755482.db2.gz IXMFCGISHNRPLY-RDGATRHJSA-N 0 0 526.950 4.809 50 0 KJAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCN(c3ncccn3)C[C@@H]12 ZINC000101391699 554755469 /nfs/dbraw/zinc/75/54/69/554755469.db2.gz IXMFCGISHNRPLY-RCZVLFRGSA-N 0 0 526.950 4.809 50 0 KJAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3ncccn3)C[C@@H]12 ZINC000101391723 554755520 /nfs/dbraw/zinc/75/55/20/554755520.db2.gz JEDDVLSLVILIFJ-RDGATRHJSA-N 0 0 537.849 4.553 50 0 KJAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3ncccn3)C[C@@H]12 ZINC000101391725 554755495 /nfs/dbraw/zinc/75/54/95/554755495.db2.gz JEDDVLSLVILIFJ-RCZVLFRGSA-N 0 0 537.849 4.553 50 0 KJAARN COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3cccc4c(C)c(C)[nH]c43)c(N3CCOCC3)nc2c1 ZINC000101399649 1066497706 /nfs/dbraw/zinc/49/77/06/1066497706.db2.gz CACVOKJSVRXYHL-UHFFFAOYSA-N 0 0 569.706 4.833 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000101400006 554759903 /nfs/dbraw/zinc/75/99/03/554759903.db2.gz VCXXJULRGKYGSX-VSGBNLITSA-N 0 0 532.040 4.543 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000101400011 554759942 /nfs/dbraw/zinc/75/99/42/554759942.db2.gz VCXXJULRGKYGSX-IZLXSDGUSA-N 0 0 532.040 4.543 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000101400015 554759939 /nfs/dbraw/zinc/75/99/39/554759939.db2.gz VCXXJULRGKYGSX-WUFINQPMSA-N 0 0 532.040 4.543 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000101400017 554759947 /nfs/dbraw/zinc/75/99/47/554759947.db2.gz VCXXJULRGKYGSX-NSOVKSMOSA-N 0 0 532.040 4.543 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)cc1OCC ZINC000101400346 554759905 /nfs/dbraw/zinc/75/99/05/554759905.db2.gz DWLVVHGENXCENI-LOYHVIPDSA-N 0 0 544.648 4.697 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)cc1OCC ZINC000101400349 554760217 /nfs/dbraw/zinc/76/02/17/554760217.db2.gz DWLVVHGENXCENI-XZWHSSHBSA-N 0 0 544.648 4.697 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)cc1OCC ZINC000101400353 554760172 /nfs/dbraw/zinc/76/01/72/554760172.db2.gz DWLVVHGENXCENI-IHLOFXLRSA-N 0 0 544.648 4.697 50 0 KJAARN CCOc1ccc(CCNC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)cc1OCC ZINC000101400355 554760221 /nfs/dbraw/zinc/76/02/21/554760221.db2.gz DWLVVHGENXCENI-KYJUHHDHSA-N 0 0 544.648 4.697 50 0 KJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000101402990 554760595 /nfs/dbraw/zinc/76/05/95/554760595.db2.gz PJIZWJYCQWHKJX-UHFFFAOYSA-N 0 0 538.495 4.768 50 0 KJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(Br)cc5)CC4)cc3)o2)cc1 ZINC000101404677 554761323 /nfs/dbraw/zinc/76/13/23/554761323.db2.gz UQYCLEMRIQFGSK-UHFFFAOYSA-N 0 0 567.465 4.621 50 0 KJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc(Br)c5)CC4)cc3)o2)cc1 ZINC000101405657 554761770 /nfs/dbraw/zinc/76/17/70/554761770.db2.gz JEGFMXMGDQQJKF-UHFFFAOYSA-N 0 0 567.465 4.621 50 0 KJAARN O=C(CSc1nc2ccccc2nc1N1CCCCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101408307 554762868 /nfs/dbraw/zinc/76/28/68/554762868.db2.gz JQVADIQLXWCBCL-UHFFFAOYSA-N 0 0 580.563 4.552 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000101408543 554763237 /nfs/dbraw/zinc/76/32/37/554763237.db2.gz HYLPDWXEGVEDFT-AREMUKBSSA-N 0 0 544.497 4.690 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000101408544 554763137 /nfs/dbraw/zinc/76/31/37/554763137.db2.gz HYLPDWXEGVEDFT-SANMLTNESA-N 0 0 544.497 4.690 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000101408899 554763157 /nfs/dbraw/zinc/76/31/57/554763157.db2.gz OQLMHAFHGHZHKJ-AREMUKBSSA-N 0 0 560.496 4.570 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000101408901 554763217 /nfs/dbraw/zinc/76/32/17/554763217.db2.gz OQLMHAFHGHZHKJ-SANMLTNESA-N 0 0 560.496 4.570 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000101409263 554763242 /nfs/dbraw/zinc/76/32/42/554763242.db2.gz RSZIVKKRGRUWEE-AREMUKBSSA-N 0 0 560.496 4.570 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000101409264 554763143 /nfs/dbraw/zinc/76/31/43/554763143.db2.gz RSZIVKKRGRUWEE-SANMLTNESA-N 0 0 560.496 4.570 50 0 KJAARN CCn1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101409658 554763302 /nfs/dbraw/zinc/76/33/02/554763302.db2.gz VQVDLXASCLTFGY-UHFFFAOYSA-N 0 0 605.160 4.693 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2ccccc2)c2c1cc(Cl)cc2Cl ZINC000101410146 554763368 /nfs/dbraw/zinc/76/33/68/554763368.db2.gz BPICULSNKWNMRZ-AREMUKBSSA-N 0 0 545.390 4.978 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2ccccc2)c2c1cc(Cl)cc2Cl ZINC000101410147 554763758 /nfs/dbraw/zinc/76/37/58/554763758.db2.gz BPICULSNKWNMRZ-SANMLTNESA-N 0 0 545.390 4.978 50 0 KJAARN C[C@H](C(=O)NCCCN1CCN(c2ccccc2F)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410889 554763752 /nfs/dbraw/zinc/76/37/52/554763752.db2.gz PMTLXCAVSGYPCU-PZGXJGMVSA-N 0 0 564.702 4.937 50 0 KJAARN C[C@@H](C(=O)NCCCN1CCN(c2ccccc2F)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410894 554763691 /nfs/dbraw/zinc/76/36/91/554763691.db2.gz PMTLXCAVSGYPCU-KPURRNSFSA-N 0 0 564.702 4.937 50 0 KJAARN C[C@H](C(=O)NCCCN1CCN(c2ccccc2F)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410896 554763686 /nfs/dbraw/zinc/76/36/86/554763686.db2.gz PMTLXCAVSGYPCU-ZTOMLWHTSA-N 0 0 564.702 4.937 50 0 KJAARN C[C@@H](C(=O)NCCCN1CCN(c2ccccc2F)CC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000101410897 554763659 /nfs/dbraw/zinc/76/36/59/554763659.db2.gz PMTLXCAVSGYPCU-MNNSJKJDSA-N 0 0 564.702 4.937 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)C(=O)N(CC(C)C)c2c1cc(Cl)cc2Br ZINC000101411829 554763922 /nfs/dbraw/zinc/76/39/22/554763922.db2.gz YTXPRXPOFMOMIF-HSZRJFAPSA-N 0 0 555.824 4.543 50 0 KJAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)C(=O)N(CC(C)C)c2c1cc(Cl)cc2Br ZINC000101411831 554763917 /nfs/dbraw/zinc/76/39/17/554763917.db2.gz YTXPRXPOFMOMIF-QHCPKHFHSA-N 0 0 555.824 4.543 50 0 KJAARN COc1ccc(Nc2nc(N(Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]3CCCO3)nc3c2cnn3C)cc1Cl ZINC000101412138 554764196 /nfs/dbraw/zinc/76/41/96/554764196.db2.gz IBGYFNXITLHPTR-IBGZPJMESA-N 0 0 569.062 4.980 50 0 KJAARN COc1ccc(Nc2nc(N(Cc3cc(OC)c(OC)c(OC)c3)C[C@H]3CCCO3)nc3c2cnn3C)cc1Cl ZINC000101412142 554764246 /nfs/dbraw/zinc/76/42/46/554764246.db2.gz IBGYFNXITLHPTR-LJQANCHMSA-N 0 0 569.062 4.980 50 0 KJAARN COc1ccc(-n2nc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101415339 554764475 /nfs/dbraw/zinc/76/44/75/554764475.db2.gz BFSMKGNUTQFDOY-UHFFFAOYSA-N 0 0 557.054 4.544 50 0 KJAARN COc1ccc(-n2nc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101415773 554764605 /nfs/dbraw/zinc/76/46/05/554764605.db2.gz YEACKSLPDPFDFM-INIZCTEOSA-N 0 0 544.995 4.802 50 0 KJAARN COc1ccc(-n2nc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101415775 554764610 /nfs/dbraw/zinc/76/46/10/554764610.db2.gz YEACKSLPDPFDFM-MRXNPFEDSA-N 0 0 544.995 4.802 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)c1 ZINC000101415912 554764950 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CCOC(=O)C[C@H](NC(=O)c1cccc2c1C(=O)N(c1ccc(OC)cc1)C2)c1ccc(OCC)c(OC)c1 ZINC000101420500 554766973 /nfs/dbraw/zinc/76/69/73/554766973.db2.gz KNZXEDVFPVWEEU-DEOSSOPVSA-N 0 0 532.593 4.687 50 0 KJAARN COc1ccc(-c2nn([C@@H]3CCS(=O)(=O)C3)c3c2[C@@H](c2ccccc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000101421306 554767340 /nfs/dbraw/zinc/76/73/40/554767340.db2.gz ZEJSEHRRHMPIBB-AYWVHJORSA-N 0 0 587.698 4.723 50 0 KJAARN COc1ccc(-c2nn([C@H]3CCS(=O)(=O)C3)c3c2[C@@H](c2ccccc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000101421307 554767349 /nfs/dbraw/zinc/76/73/49/554767349.db2.gz ZEJSEHRRHMPIBB-QABMSTFYSA-N 0 0 587.698 4.723 50 0 KJAARN COc1ccc(-c2nn([C@@H]3CCS(=O)(=O)C3)c3c2[C@H](c2ccccc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000101421308 554767321 /nfs/dbraw/zinc/76/73/21/554767321.db2.gz ZEJSEHRRHMPIBB-HLADLETHSA-N 0 0 587.698 4.723 50 0 KJAARN COc1ccc(-c2nn([C@H]3CCS(=O)(=O)C3)c3c2[C@H](c2ccccc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000101421311 554767326 /nfs/dbraw/zinc/76/73/26/554767326.db2.gz ZEJSEHRRHMPIBB-NGQVCNFZSA-N 0 0 587.698 4.723 50 0 KJAARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Cl)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000101421559 554767342 /nfs/dbraw/zinc/76/73/42/554767342.db2.gz OAYCQRPMQSYVCB-JAYSWQADSA-N 0 0 531.033 4.695 50 0 KJAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Cl)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000101421564 554767355 /nfs/dbraw/zinc/76/73/55/554767355.db2.gz OAYCQRPMQSYVCB-KEQCBNTKSA-N 0 0 531.033 4.695 50 0 KJAARN O=C(c1cccc(CSc2nc(Cl)cc(N3CCCC3)n2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000101421831 554767316 /nfs/dbraw/zinc/76/73/16/554767316.db2.gz ASSAENWTVCLDQU-UHFFFAOYSA-N 0 0 552.100 4.709 50 0 KJAARN COc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1CN(C(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000101422078 554767506 /nfs/dbraw/zinc/76/75/06/554767506.db2.gz SYDCXFBMTAJRPH-UHFFFAOYSA-N 0 0 528.440 4.535 50 0 KJAARN CCOc1ccccc1N1CCN(C(=O)c2cccc(CSc3nc(Cl)cc(N4CCOCC4)n3)c2)CC1 ZINC000101422329 554767523 /nfs/dbraw/zinc/76/75/23/554767523.db2.gz QSNBVFQCKVGMMA-UHFFFAOYSA-N 0 0 554.116 4.620 50 0 KJAARN COc1ccc(-n2nc(C(=O)N(C)c3cc(Cl)c(OC)cc3OC)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000101422786 554767540 /nfs/dbraw/zinc/76/75/40/554767540.db2.gz POKLONMRVHFNNO-UHFFFAOYSA-N 0 0 532.984 4.833 50 0 KJAARN COc1ccc(-n2nc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000101422820 554767571 /nfs/dbraw/zinc/76/75/71/554767571.db2.gz UONJKTRIYHHCSN-UHFFFAOYSA-N 0 0 542.039 4.810 50 0 KJAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000101422842 554767568 /nfs/dbraw/zinc/76/75/68/554767568.db2.gz QTYGQXQXBLIWPG-UHFFFAOYSA-N 0 0 528.012 4.502 50 0 KJAARN CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cc(OC)cc(OC)c5)CC4)c32)C1 ZINC000101423460 554767765 /nfs/dbraw/zinc/76/77/65/554767765.db2.gz RUPGXNIJTZHVAM-UHFFFAOYSA-N 0 0 557.720 4.640 50 0 KJAARN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc3)C2=O)c1 ZINC000101426357 554768775 /nfs/dbraw/zinc/76/87/75/554768775.db2.gz GMHDOQYZECJRCE-XHLNEMQHSA-N 0 0 531.616 4.714 50 0 KJAARN COC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 ZINC000101426844 554768896 /nfs/dbraw/zinc/76/88/96/554768896.db2.gz XHBSFOQZTFWVHF-DEOSSOPVSA-N 0 0 536.606 4.708 50 0 KJAARN COC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 ZINC000101426845 554768893 /nfs/dbraw/zinc/76/88/93/554768893.db2.gz XHBSFOQZTFWVHF-XMMPIXPASA-N 0 0 536.606 4.708 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)c(OC)c1 ZINC000101427269 554768901 /nfs/dbraw/zinc/76/89/01/554768901.db2.gz ZFBVIJSMIGTACL-VWLOTQADSA-N 0 0 538.622 4.938 50 0 KJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3cc(OC)c(OC)c(OC)c3)CC2=O)c(OC)c1 ZINC000101427271 554768923 /nfs/dbraw/zinc/76/89/23/554768923.db2.gz ZFBVIJSMIGTACL-RUZDIDTESA-N 0 0 538.622 4.938 50 0 KJAARN COc1ccc(C(=O)N(Cc2cccc(Cl)c2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000101427534 554769199 /nfs/dbraw/zinc/76/91/99/554769199.db2.gz BOZKNHCHLMSWGY-UHFFFAOYSA-N 0 0 534.056 4.689 50 0 KJAARN COc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000101427543 554769210 /nfs/dbraw/zinc/76/92/10/554769210.db2.gz PTAPRABCTUQVGX-UHFFFAOYSA-N 0 0 534.056 4.689 50 0 KJAARN COc1ccc(C(=O)N(Cc2ccc(SC)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000101427546 554769177 /nfs/dbraw/zinc/76/91/77/554769177.db2.gz ZHDNFOBUPZLZDL-UHFFFAOYSA-N 0 0 545.705 4.757 50 0 KJAARN CC(=O)N1CCC(C(=O)NCc2ccccc2)(N(Cc2ccccc2)C(=O)c2ccccc2Br)CC1 ZINC000101427552 554769208 /nfs/dbraw/zinc/76/92/08/554769208.db2.gz BKJVKZZGDQHBOP-UHFFFAOYSA-N 0 0 548.481 4.789 50 0 KJAARN COc1ccc(C(=O)N(Cc2ccccc2Cl)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000101427554 554769206 /nfs/dbraw/zinc/76/92/06/554769206.db2.gz RJTCAYSDZWCYDA-UHFFFAOYSA-N 0 0 534.056 4.689 50 0 KJAARN Cc1cccc(N2CCN(CCNC(=O)C3CCN(c4nc5ccccc5n4Cc4cccc(F)c4)CC3)CC2)c1C ZINC000101427639 554769216 /nfs/dbraw/zinc/76/92/16/554769216.db2.gz RBVMOMQHSVDLGQ-UHFFFAOYSA-N 0 0 568.741 4.995 50 0 KJAARN CC(C)COc1ccc(-c2cc(NC(=O)COc3ccc(Br)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000101427850 554769165 /nfs/dbraw/zinc/76/91/65/554769165.db2.gz ZDCNZIOXAJCLCF-HXUWFJFHSA-N 0 0 562.486 4.725 50 0 KJAARN CC(C)COc1ccc(-c2cc(NC(=O)COc3ccc(Br)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000101427851 554769162 /nfs/dbraw/zinc/76/91/62/554769162.db2.gz ZDCNZIOXAJCLCF-FQEVSTJZSA-N 0 0 562.486 4.725 50 0 KJAARN Cc1cc(-c2cc(NC(=O)COc3ccc(Br)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C ZINC000101427854 554769160 /nfs/dbraw/zinc/76/91/60/554769160.db2.gz JEHPKFFCMVJFJZ-HXUWFJFHSA-N 0 0 562.486 4.785 50 0 KJAARN Cc1cc(-c2cc(NC(=O)COc3ccc(Br)cc3)n([C@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C ZINC000101427856 554769375 /nfs/dbraw/zinc/76/93/75/554769375.db2.gz JEHPKFFCMVJFJZ-FQEVSTJZSA-N 0 0 562.486 4.785 50 0 KJAARN Cc1cccc(N2CCN(CCNC(=O)C3CCN(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CC2)c1C ZINC000101427869 554769410 /nfs/dbraw/zinc/76/94/10/554769410.db2.gz CFSHUIRTBNKJCM-UHFFFAOYSA-N 0 0 568.741 4.995 50 0 KJAARN Cc1ccc(CNC(=O)CCNC(=O)c2nc(SCc3ccccc3Cl)ncc2Br)cc1 ZINC000101429478 554769887 /nfs/dbraw/zinc/76/98/87/554769887.db2.gz ZEVOZCRZOBSQJY-UHFFFAOYSA-N 0 0 533.879 4.930 50 0 KJAARN COc1ccc(NC(=O)CCNC(=O)c2nc(SCc3ccccc3Cl)ncc2Br)cc1 ZINC000101429482 554769891 /nfs/dbraw/zinc/76/98/91/554769891.db2.gz RWZVREMIUUITIX-UHFFFAOYSA-N 0 0 535.851 4.952 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(OCC)cc2)n1 ZINC000101429568 554769853 /nfs/dbraw/zinc/76/98/53/554769853.db2.gz YVWJIVHJNUCHEW-KRWDZBQOSA-N 0 0 527.510 4.630 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(OCC)cc2)n1 ZINC000101429571 554769831 /nfs/dbraw/zinc/76/98/31/554769831.db2.gz YVWJIVHJNUCHEW-QGZVFWFLSA-N 0 0 527.510 4.630 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)n1 ZINC000101429795 554770097 /nfs/dbraw/zinc/77/00/97/554770097.db2.gz OEGXXUMZEYSJTK-NRFANRHFSA-N 0 0 527.488 4.707 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)n1 ZINC000101429799 554770084 /nfs/dbraw/zinc/77/00/84/554770084.db2.gz OEGXXUMZEYSJTK-OAQYLSRUSA-N 0 0 527.488 4.707 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)n1 ZINC000101429810 554770062 /nfs/dbraw/zinc/77/00/62/554770062.db2.gz ZYFYSEODXLBDJB-FQEVSTJZSA-N 0 0 529.460 4.730 50 0 KJAARN CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)n1 ZINC000101429816 554770054 /nfs/dbraw/zinc/77/00/54/554770054.db2.gz ZYFYSEODXLBDJB-HXUWFJFHSA-N 0 0 529.460 4.730 50 0 KJAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000101430111 554770063 /nfs/dbraw/zinc/77/00/63/554770063.db2.gz UJQDKLFKHRHEQN-HHHXNRCGSA-N 0 0 556.713 4.852 50 0 KJAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000101430115 554770391 /nfs/dbraw/zinc/77/03/91/554770391.db2.gz UJQDKLFKHRHEQN-MHZLTWQESA-N 0 0 556.713 4.852 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(-c3ccccc3)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000101432395 554770850 /nfs/dbraw/zinc/77/08/50/554770850.db2.gz SRWMLTQJOIIQTL-UHFFFAOYSA-N 0 0 539.975 4.513 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(-c3ccccc3)c(=O)n(Cc3ccc(Cl)cc3)c2c1 ZINC000101432396 554770847 /nfs/dbraw/zinc/77/08/47/554770847.db2.gz OSOGAMZVKYXDCX-UHFFFAOYSA-N 0 0 539.975 4.513 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(-c3ccccc3)c(=O)n(Cc3ccc(F)cc3Cl)c2c1 ZINC000101432427 554770873 /nfs/dbraw/zinc/77/08/73/554770873.db2.gz CQNCOXSGRRZBIE-UHFFFAOYSA-N 0 0 557.965 4.652 50 0 KJAARN Cc1cc(C)c(Cn2c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c(=O)n(-c3ccccc3)c2=O)c(C)c1 ZINC000101432435 554770854 /nfs/dbraw/zinc/77/08/54/554770854.db2.gz SAAQCPLOCAEADK-UHFFFAOYSA-N 0 0 547.611 4.785 50 0 KJAARN COc1cccc(NC(=O)Cn2c3cc(C(=O)NCc4ccccc4Cl)ccc3c(=O)n(-c3ccc(C)cc3)c2=O)c1 ZINC000101432468 554770861 /nfs/dbraw/zinc/77/08/61/554770861.db2.gz WVYKXBQTAYQMLH-UHFFFAOYSA-N 0 0 583.044 4.692 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1 ZINC000101432555 554771034 /nfs/dbraw/zinc/77/10/34/554771034.db2.gz LCMOPLHLNIDMDY-UHFFFAOYSA-N 0 0 583.044 4.692 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc3n(CC(=O)Nc3cc(Cl)ccc3OC)c2=O)cc1 ZINC000101432558 554771017 /nfs/dbraw/zinc/77/10/17/554771017.db2.gz QLPYMCIVANOOPE-UHFFFAOYSA-N 0 0 613.070 4.700 50 0 KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000101432571 554771046 /nfs/dbraw/zinc/77/10/46/554771046.db2.gz XFTITDDDZBKSSU-UHFFFAOYSA-N 0 0 540.019 4.835 50 0 biogenic KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000101432578 554770996 /nfs/dbraw/zinc/77/09/96/554770996.db2.gz FMYURZQIIIQLIV-UHFFFAOYSA-N 0 0 540.019 4.835 50 0 biogenic KJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(Cc3ccc(F)cc3Cl)c2=O)cc1 ZINC000101432615 554771202 /nfs/dbraw/zinc/77/12/02/554771202.db2.gz AQSOPSDARZLUNP-UHFFFAOYSA-N 0 0 558.009 4.974 50 0 KJAARN CCOc1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(-c3ccc(CC)cc3)c2=O)cc1 ZINC000101432683 554771189 /nfs/dbraw/zinc/77/11/89/554771189.db2.gz FLNWNJJWHHILSU-UHFFFAOYSA-N 0 0 590.680 4.725 50 0 KJAARN CCc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1 ZINC000101432690 554771201 /nfs/dbraw/zinc/77/12/01/554771201.db2.gz GREMDFWPLBOCTN-UHFFFAOYSA-N 0 0 560.654 4.634 50 0 KJAARN CCc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1 ZINC000101432707 554771215 /nfs/dbraw/zinc/77/12/15/554771215.db2.gz JUJDIFGHQMLJIC-UHFFFAOYSA-N 0 0 581.072 4.979 50 0 KJAARN CCc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(CC(=O)Nc3cc(Cl)ccc3OC)c2=O)cc1 ZINC000101432710 554771207 /nfs/dbraw/zinc/77/12/07/554771207.db2.gz YXNXPVUBFZEUMW-UHFFFAOYSA-N 0 0 611.098 4.988 50 0 KJAARN CCc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 ZINC000101432714 554771200 /nfs/dbraw/zinc/77/12/00/554771200.db2.gz IBUZECUJWAHDBJ-UHFFFAOYSA-N 0 0 574.681 4.943 50 0 KJAARN O=C(NC1CCCCC1)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n(Cc3cccc(Cl)c3)c2c1 ZINC000101432773 554771196 /nfs/dbraw/zinc/77/11/96/554771196.db2.gz OFWRUHMEBZAEBE-UHFFFAOYSA-N 0 0 546.023 4.704 50 0 KJAARN CC(C)c1ccc(NC(=O)Cn2c3cc(C(=O)NC4CCCCC4)ccc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000101432776 554771208 /nfs/dbraw/zinc/77/12/08/554771208.db2.gz CIDDDCZXVKVJGU-UHFFFAOYSA-N 0 0 596.684 4.765 50 0 KJAARN O=C(NC1CCCCC1)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000101432789 554771437 /nfs/dbraw/zinc/77/14/37/554771437.db2.gz YQQZJXOCEIQCEN-UHFFFAOYSA-N 0 0 546.023 4.704 50 0 KJAARN CC(C)c1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000101432975 554771635 /nfs/dbraw/zinc/77/16/35/554771635.db2.gz VQYVFRFUGDIRBG-UHFFFAOYSA-N 0 0 564.642 4.539 50 0 KJAARN COc1ccc(NC(=O)c2cc3cc4c5c(c3o/c2=N\c2cccc(C(N)=O)c2)CCCN5CCC4)cc1OC ZINC000101433474 554771621 /nfs/dbraw/zinc/77/16/21/554771621.db2.gz CVOPNQMIRUANNE-NMSHJFGGSA-N 0 0 538.604 4.732 50 0 KJAARN COc1ccc(C(N)=O)cc1/N=c1\oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccccc1OC ZINC000101433479 554771655 /nfs/dbraw/zinc/77/16/55/554771655.db2.gz NHAPTVPLXKNWTD-NMSHJFGGSA-N 0 0 538.604 4.732 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000101439972 554772526 /nfs/dbraw/zinc/77/25/26/554772526.db2.gz BWDDUOJYKVSZOB-HHHXNRCGSA-N 0 0 565.095 4.696 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000101439976 554772505 /nfs/dbraw/zinc/77/25/05/554772505.db2.gz BWDDUOJYKVSZOB-MHZLTWQESA-N 0 0 565.095 4.696 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCc4ccccc4)[C@@H](c4cc(C)ccc4C)N23)CC1 ZINC000101440016 554772712 /nfs/dbraw/zinc/77/27/12/554772712.db2.gz YBSZYVAEMMUDIB-GDLZYMKVSA-N 0 0 558.704 4.703 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCc4ccccc4)[C@H](c4cc(C)ccc4C)N23)CC1 ZINC000101440020 554772659 /nfs/dbraw/zinc/77/26/59/554772659.db2.gz YBSZYVAEMMUDIB-LJAQVGFWSA-N 0 0 558.704 4.703 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N3[C@H]2c2cccc(Cl)c2)cc1 ZINC000101440023 554772676 /nfs/dbraw/zinc/77/26/76/554772676.db2.gz SAUZBCKWGMKPLO-MHZLTWQESA-N 0 0 580.110 4.643 50 0 KJAARN COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000101440026 554772724 /nfs/dbraw/zinc/77/27/24/554772724.db2.gz SAUZBCKWGMKPLO-HHHXNRCGSA-N 0 0 580.110 4.643 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCc4ccccc4)[C@@H](c4ccc(C)cc4C)N23)CC1 ZINC000101440080 554772727 /nfs/dbraw/zinc/77/27/27/554772727.db2.gz IFWATVKXRQBILN-GDLZYMKVSA-N 0 0 558.704 4.703 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCc4ccccc4)[C@H](c4ccc(C)cc4C)N23)CC1 ZINC000101440083 554772650 /nfs/dbraw/zinc/77/26/50/554772650.db2.gz IFWATVKXRQBILN-LJAQVGFWSA-N 0 0 558.704 4.703 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)Nc4ccccc4)[C@H](c4ccc(Cl)cc4)N23)CC1 ZINC000101440087 554772665 /nfs/dbraw/zinc/77/26/65/554772665.db2.gz QAKHRNPBRVQZEZ-SANMLTNESA-N 0 0 550.084 4.634 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)Nc4ccccc4)[C@@H](c4ccc(Cl)cc4)N23)CC1 ZINC000101440090 554772680 /nfs/dbraw/zinc/77/26/80/554772680.db2.gz QAKHRNPBRVQZEZ-AREMUKBSSA-N 0 0 550.084 4.634 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCc4ccccc4)[C@H](c4ccc(Cl)cc4)N23)CC1 ZINC000101440112 554772691 /nfs/dbraw/zinc/77/26/91/554772691.db2.gz NGUBWYPXXMNBHL-MHZLTWQESA-N 0 0 565.095 4.739 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCc4ccccc4)[C@@H](c4ccc(Cl)cc4)N23)CC1 ZINC000101440115 554772720 /nfs/dbraw/zinc/77/27/20/554772720.db2.gz NGUBWYPXXMNBHL-HHHXNRCGSA-N 0 0 565.095 4.739 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)Nc4ccccc4)[C@H](c4ccccc4Cl)N23)CC1 ZINC000101440173 554772696 /nfs/dbraw/zinc/77/26/96/554772696.db2.gz JASYDOOEGVBUIX-SANMLTNESA-N 0 0 550.084 4.634 50 0 KJAARN CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)Nc4ccccc4)[C@@H](c4ccccc4Cl)N23)CC1 ZINC000101440176 554772718 /nfs/dbraw/zinc/77/27/18/554772718.db2.gz JASYDOOEGVBUIX-AREMUKBSSA-N 0 0 550.084 4.634 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)N3CCN(C(C)=O)CC3)=CSC2=N1 ZINC000101440217 554772894 /nfs/dbraw/zinc/77/28/94/554772894.db2.gz ZPKBGRRSAHASCL-NDEPHWFRSA-N 0 0 560.676 4.698 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)N3CCN(C(C)=O)CC3)=CSC2=N1 ZINC000101440218 554772882 /nfs/dbraw/zinc/77/28/82/554772882.db2.gz ZPKBGRRSAHASCL-MUUNZHRXSA-N 0 0 560.676 4.698 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4cccs4)nn3-c3ccccc3C)[C@H](c3ccc(F)cc3)SCC2=O)CC1 ZINC000101440634 554772897 /nfs/dbraw/zinc/77/28/97/554772897.db2.gz DYCJYIOEHDBIFM-PMERELPUSA-N 0 0 603.745 4.908 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4cccs4)nn3-c3ccccc3C)[C@@H](c3ccc(F)cc3)SCC2=O)CC1 ZINC000101440636 554772887 /nfs/dbraw/zinc/77/28/87/554772887.db2.gz DYCJYIOEHDBIFM-SSEXGKCCSA-N 0 0 603.745 4.908 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccc(C)cc3C)[C@H](c3ccccc3C)SCC2=O)CC1 ZINC000101440642 554773195 /nfs/dbraw/zinc/77/31/95/554773195.db2.gz 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/nfs/dbraw/zinc/77/45/01/554774501.db2.gz QZNCDNQTIPZNHG-UHFFFAOYSA-N 0 0 540.617 4.669 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(F)ccc4F)n(-c4ccccc4C)c(=O)c23)C1 ZINC000101447656 554774455 /nfs/dbraw/zinc/77/44/55/554774455.db2.gz KBEDKQADXGIISZ-UHFFFAOYSA-N 0 0 540.617 4.669 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4C)n(Cc4ccccc4)c(=O)c32)C1 ZINC000101447699 554774505 /nfs/dbraw/zinc/77/45/05/554774505.db2.gz VCKOYAJSXMETMC-UHFFFAOYSA-N 0 0 532.691 4.759 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4Cl)n(Cc4ccco4)c(=O)c32)C1 ZINC000101447712 554774460 /nfs/dbraw/zinc/77/44/60/554774460.db2.gz GOGUIAGMHHCILV-UHFFFAOYSA-N 0 0 543.070 4.697 50 0 KJAARN CCc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCN(C(C)=O)C4)cc1 ZINC000101447722 554774509 /nfs/dbraw/zinc/77/45/09/554774509.db2.gz BNMADOFVRXITDT-UHFFFAOYSA-N 0 0 532.691 4.704 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4F)n(-c4ccc(C)cc4)c(=O)c23)C1 ZINC000101447745 554774518 /nfs/dbraw/zinc/77/45/18/554774518.db2.gz YGVFDRGHAHWHLW-UHFFFAOYSA-N 0 0 540.617 4.669 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4F)n(-c4ccccc4C)c(=O)c23)C1 ZINC000101447754 554774482 /nfs/dbraw/zinc/77/44/82/554774482.db2.gz QNYVCWHYCNBGEZ-UHFFFAOYSA-N 0 0 540.617 4.669 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C(C)C)cc4)n(Cc4ccco4)c(=O)c32)C1 ZINC000101447768 554774485 /nfs/dbraw/zinc/77/44/85/554774485.db2.gz PXIYVZGYGZPDJD-UHFFFAOYSA-N 0 0 536.679 4.858 50 0 KJAARN CCOc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCN(C(C)=O)C4)cc1 ZINC000101447802 554774804 /nfs/dbraw/zinc/77/48/04/554774804.db2.gz KDWISYIYWQPIJL-UHFFFAOYSA-N 0 0 548.690 4.540 50 0 KJAARN CCc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCN(C(C)=O)C4)c1 ZINC000101447830 554774781 /nfs/dbraw/zinc/77/47/81/554774781.db2.gz VRVXBLHNSYLOKG-UHFFFAOYSA-N 0 0 532.691 4.704 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccc(Cl)c4C)n(Cc4ccco4)c(=O)c32)C1 ZINC000101447837 554774754 /nfs/dbraw/zinc/77/47/54/554774754.db2.gz HIXYXZPSNFDKSQ-UHFFFAOYSA-N 0 0 543.070 4.697 50 0 KJAARN CCc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C(C)=O)C3 ZINC000101447858 554774760 /nfs/dbraw/zinc/77/47/60/554774760.db2.gz HKAFPHVKEKKIGR-UHFFFAOYSA-N 0 0 532.691 4.704 50 0 KJAARN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCc4ccc(OC)c(OC)c4)CC3)s2)cc1 ZINC000101448230 554774971 /nfs/dbraw/zinc/77/49/71/554774971.db2.gz FLHTYZXCVZWEFJ-UHFFFAOYSA-N 0 0 576.723 4.890 50 0 KJAARN COc1ccc(Br)cc1CNC(=O)c1ccc(N2C(=O)Cn3c4ccsc4cc3C2=O)cc1 ZINC000101448443 554774904 /nfs/dbraw/zinc/77/49/04/554774904.db2.gz XFIPTRLPUQUBMR-UHFFFAOYSA-N 0 0 524.396 4.591 50 0 KJAARN COc1ccc(CNC(=O)C2CCN(c3nnc(-n4cccc4CNc4ccc(C)cc4)s3)CC2)cc1OC ZINC000101448781 554775127 /nfs/dbraw/zinc/77/51/27/554775127.db2.gz BYFOYENJNNLDNT-UHFFFAOYSA-N 0 0 546.697 4.799 50 0 KJAARN CCOC(CNC(=O)C1CCN(C(=O)c2cc3oc(C)cc3n2Cc2c(F)cccc2Cl)CC1)OCC ZINC000101448908 554775165 /nfs/dbraw/zinc/77/51/65/554775165.db2.gz MVKOKHSAZTYKKM-UHFFFAOYSA-N 0 0 534.028 4.751 50 0 KJAARN CCOc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1OCC ZINC000101449136 554775178 /nfs/dbraw/zinc/77/51/78/554775178.db2.gz YQQATEJZFLCRMX-UHFFFAOYSA-N 0 0 536.444 4.786 50 0 KJAARN CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C(C)=O)C3)c1ccccc1 ZINC000101452494 554775673 /nfs/dbraw/zinc/77/56/73/554775673.db2.gz VSMGNCVEMRFSLY-UHFFFAOYSA-N 0 0 532.691 4.556 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NCCC4=CCCCC4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000101452528 554775611 /nfs/dbraw/zinc/77/56/11/554775611.db2.gz ZMOBMHXANDAQCD-UHFFFAOYSA-N 0 0 536.723 4.510 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)c(Cl)c4)n(Cc4ccco4)c(=O)c23)C1 ZINC000101452549 554775689 /nfs/dbraw/zinc/77/56/89/554775689.db2.gz PZNSAIGWVULNGN-UHFFFAOYSA-N 0 0 547.033 4.527 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccc(Cl)c4)n(Cc4ccccc4)c(=O)c23)C1 ZINC000101452551 554775681 /nfs/dbraw/zinc/77/56/81/554775681.db2.gz NGNKLHVCHPSANI-UHFFFAOYSA-N 0 0 539.082 4.795 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)n(Cc4ccccc4)c(=O)c23)C1 ZINC000101452572 554775591 /nfs/dbraw/zinc/77/55/91/554775591.db2.gz LFDIPTKOTWQSNV-UHFFFAOYSA-N 0 0 539.082 4.795 50 0 KJAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)n(-c4ccccc4)c(=O)c23)C1 ZINC000101452577 554775662 /nfs/dbraw/zinc/77/56/62/554775662.db2.gz JZXPBIYMYVBXCG-UHFFFAOYSA-N 0 0 525.055 4.736 50 0 KJAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2c(F)cccc2Cl)C1 ZINC000101453002 554775853 /nfs/dbraw/zinc/77/58/53/554775853.db2.gz NZLUHLWUHRDOQG-UHFFFAOYSA-N 0 0 518.397 4.613 50 0 KJAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2C)c(=O)n3Cc2ccc(F)cc2Cl)C1 ZINC000101453198 554776053 /nfs/dbraw/zinc/77/60/53/554776053.db2.gz QGQASHJWWQGBPO-UHFFFAOYSA-N 0 0 532.424 4.921 50 0 KJAARN COc1cc(S(=O)(=O)Oc2c(Br)cc(Br)c3cccnc32)c(OC)cc1C ZINC000101453867 554776130 /nfs/dbraw/zinc/77/61/30/554776130.db2.gz JQTDHBQKVNJDKN-UHFFFAOYSA-N 0 0 517.195 4.853 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O)N1CCN(c2ccccn2)CC1 ZINC000101454643 554776509 /nfs/dbraw/zinc/77/65/09/554776509.db2.gz USEKAGJVKWWNKA-KDXMTYKHSA-N 0 0 540.620 4.510 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O)N1CCN(c2ccccn2)CC1 ZINC000101454647 554776516 /nfs/dbraw/zinc/77/65/16/554776516.db2.gz USEKAGJVKWWNKA-LDLOPFEMSA-N 0 0 540.620 4.510 50 0 KJAARN CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OCC)[C@H](C)C1 ZINC000101454712 554776514 /nfs/dbraw/zinc/77/65/14/554776514.db2.gz RFBOVATXMAWEGH-OAQYLSRUSA-N 0 0 552.759 4.815 50 0 KJAARN Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C)[C@H](C)C2)c(C)cc1Br ZINC000101454735 554776508 /nfs/dbraw/zinc/77/65/08/554776508.db2.gz BRCVEYFQFTYHJU-QGZVFWFLSA-N 0 0 594.391 4.529 50 0 KJAARN Cc1cc(Br)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)c(C)cc3Br)[C@H](C)C2)cc1C ZINC000101454764 554776708 /nfs/dbraw/zinc/77/67/08/554776708.db2.gz UKKCKOXRXMNRRR-QGZVFWFLSA-N 0 0 594.391 4.529 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Br)c(C)cc3C)[C@H](C)C2)cc1Br ZINC000101454766 554776785 /nfs/dbraw/zinc/77/67/85/554776785.db2.gz QPNJIKGGBHZAHE-QGZVFWFLSA-N 0 0 594.391 4.529 50 0 KJAARN Cc1ccc(C)c(CN2c3cc(C(=O)N4CCC5(CC4)OCCO5)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000101454916 554776887 /nfs/dbraw/zinc/77/68/87/554776887.db2.gz FWXZZLDNXBCXHZ-KXQOOQHDSA-N 0 0 530.646 4.610 50 0 biogenic KJAARN Cc1ccc(C)c(CN2c3cc(C(=O)N4CCC5(CC4)OCCO5)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000101454921 554776930 /nfs/dbraw/zinc/77/69/30/554776930.db2.gz FWXZZLDNXBCXHZ-LHEWISCISA-N 0 0 530.646 4.610 50 0 biogenic KJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O)N1CCN(Cc2ccccc2)CC1 ZINC000101455221 554776876 /nfs/dbraw/zinc/77/68/76/554776876.db2.gz QZQWJIJQSBUHGX-LDLOPFEMSA-N 0 0 535.669 4.972 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O)N1CCN(Cc2ccccc2)CC1 ZINC000101455226 554776912 /nfs/dbraw/zinc/77/69/12/554776912.db2.gz QZQWJIJQSBUHGX-KDXMTYKHSA-N 0 0 535.669 4.972 50 0 KJAARN O=C(NCc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2COc4ccccc4O2)C3=O)C1 ZINC000101455581 554777168 /nfs/dbraw/zinc/77/71/68/554777168.db2.gz SFKOKJKHLYLBFV-DHIUTWEWSA-N 0 0 594.693 4.779 50 0 KJAARN O=C(NCc1nc(-c2ccccc2)cs1)[C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2COc4ccccc4O2)C3=O)C1 ZINC000101455583 554777210 /nfs/dbraw/zinc/77/72/10/554777210.db2.gz SFKOKJKHLYLBFV-XZOQPEGZSA-N 0 0 594.693 4.779 50 0 KJAARN Cc1cccc(CN2c3cc(C(=O)N4CCN(Cc5ccccc5)CC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101455968 554777166 /nfs/dbraw/zinc/77/71/66/554777166.db2.gz DBICZDWXTDIFGI-UHFFFAOYSA-N 0 0 565.695 4.946 50 0 KJAARN Cc1cccc(CN2c3cc(C(=O)NCCN(C)CCc4ccccc4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456090 554777195 /nfs/dbraw/zinc/77/71/95/554777195.db2.gz PRXRVBLOIWCEMO-UHFFFAOYSA-N 0 0 567.711 4.893 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101456178 554777334 /nfs/dbraw/zinc/77/73/34/554777334.db2.gz NOJDAMNMESRQBJ-OAQYLSRUSA-N 0 0 567.063 4.749 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101456182 554777372 /nfs/dbraw/zinc/77/73/72/554777372.db2.gz NOJDAMNMESRQBJ-NRFANRHFSA-N 0 0 567.063 4.749 50 0 KJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456248 554777278 /nfs/dbraw/zinc/77/72/78/554777278.db2.gz RZHUOGQZEQBLAH-UHFFFAOYSA-N 0 0 561.015 4.992 50 0 KJAARN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456277 554777394 /nfs/dbraw/zinc/77/73/94/554777394.db2.gz WABOOBRTCQKTSW-JOCHJYFZSA-N 0 0 538.069 4.547 50 0 KJAARN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456281 554777358 /nfs/dbraw/zinc/77/73/58/554777358.db2.gz WABOOBRTCQKTSW-QFIPXVFZSA-N 0 0 538.069 4.547 50 0 KJAARN O=C(NCCN1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456327 554777381 /nfs/dbraw/zinc/77/73/81/554777381.db2.gz AHDAFPMWXRIYDL-UHFFFAOYSA-N 0 0 552.096 4.939 50 0 KJAARN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456340 554777403 /nfs/dbraw/zinc/77/74/03/554777403.db2.gz OTJWXLQMEHKFFX-HXUWFJFHSA-N 0 0 552.096 4.937 50 0 KJAARN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000101456344 554777319 /nfs/dbraw/zinc/77/73/19/554777319.db2.gz OTJWXLQMEHKFFX-FQEVSTJZSA-N 0 0 552.096 4.937 50 0 KJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)N1CCN(Cc2ccccc2)CC1 ZINC000101456438 554777316 /nfs/dbraw/zinc/77/73/16/554777316.db2.gz CYYAXBGINOKFHR-UHFFFAOYSA-N 0 0 569.658 4.777 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101456759 554777563 /nfs/dbraw/zinc/77/75/63/554777563.db2.gz IBLBIOZRFLJCLI-HSZRJFAPSA-N 0 0 560.672 4.712 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101456763 554777574 /nfs/dbraw/zinc/77/75/74/554777574.db2.gz IBLBIOZRFLJCLI-QHCPKHFHSA-N 0 0 560.672 4.712 50 0 KJAARN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN4CCCC[C@@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456885 554777547 /nfs/dbraw/zinc/77/75/47/554777547.db2.gz DQDNUUMXPUAFBQ-QHCPKHFHSA-N 0 0 545.705 4.901 50 0 KJAARN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN4CCCC[C@H]4C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456887 554777583 /nfs/dbraw/zinc/77/75/83/554777583.db2.gz DQDNUUMXPUAFBQ-HSZRJFAPSA-N 0 0 545.705 4.901 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)cc1OC ZINC000101456964 554777870 /nfs/dbraw/zinc/77/78/70/554777870.db2.gz DZAZIKDOBBYEKO-UHFFFAOYSA-N 0 0 556.640 4.670 50 0 biogenic KJAARN COc1cc(CN(C(=O)c2ccc(N3CCCC3=O)cc2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000101458811 554777816 /nfs/dbraw/zinc/77/78/16/554777816.db2.gz JCFJJSTVUXRISX-VWLOTQADSA-N 0 0 576.719 4.520 50 0 KJAARN COc1cc(CN(C(=O)c2cccc(N3CCCC3=O)c2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000101458961 1066497614 /nfs/dbraw/zinc/49/76/14/1066497614.db2.gz CLRVCDFRYLGCIR-VWLOTQADSA-N 0 0 576.719 4.520 50 0 KJAARN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000101460632 554778229 /nfs/dbraw/zinc/77/82/29/554778229.db2.gz YHJXNVDBOYGUMZ-MHZLTWQESA-N 0 0 595.597 4.953 50 0 KJAARN CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000101460634 554778298 /nfs/dbraw/zinc/77/82/98/554778298.db2.gz YHJXNVDBOYGUMZ-HHHXNRCGSA-N 0 0 595.597 4.953 50 0 KJAARN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000101460636 554778261 /nfs/dbraw/zinc/77/82/61/554778261.db2.gz TZGBUSXLLFDVOX-MHZLTWQESA-N 0 0 562.045 4.588 50 0 KJAARN CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000101460638 554778196 /nfs/dbraw/zinc/77/81/96/554778196.db2.gz TZGBUSXLLFDVOX-HHHXNRCGSA-N 0 0 562.045 4.588 50 0 KJAARN O=C(Nc1nc2ccc(Cl)cc2s1)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000101462233 554779156 /nfs/dbraw/zinc/77/91/56/554779156.db2.gz DCFXQVXHHQEPKO-UHFFFAOYSA-N 0 0 522.077 4.678 50 0 KJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000101463698 554779859 /nfs/dbraw/zinc/77/98/59/554779859.db2.gz FCLKTZPAXJACTK-MHZLTWQESA-N 0 0 549.718 4.758 50 0 KJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000101464628 554780153 /nfs/dbraw/zinc/78/01/53/554780153.db2.gz PMPQLFAKFVLLGY-UHFFFAOYSA-N 0 0 535.645 4.898 50 0 KJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(C)n2n1 ZINC000101464696 554780118 /nfs/dbraw/zinc/78/01/18/554780118.db2.gz SLSAXUKNOUZFKW-UHFFFAOYSA-N 0 0 561.130 4.936 50 0 KJAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)c(C)n3n2)c(OC)c1 ZINC000101465226 554780291 /nfs/dbraw/zinc/78/02/91/554780291.db2.gz WCKXKUVIVWKKJJ-UHFFFAOYSA-N 0 0 577.707 4.776 50 0 KJAARN COc1ccc(CN2CCN(c3ccccc3C)CC2)cc1OCCNS(=O)(=O)c1cccc(Cl)c1C ZINC000101474971 1066206814 /nfs/dbraw/zinc/20/68/14/1066206814.db2.gz JTUUYQVRHRLRFA-UHFFFAOYSA-N 0 0 544.117 4.645 50 0 KJAARN COCCNC(=O)CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c3ccccc3sc2c1=O ZINC000101475850 554782244 /nfs/dbraw/zinc/78/22/44/554782244.db2.gz XWXCIFQVIJSMCI-UHFFFAOYSA-N 0 0 538.695 4.502 50 0 KJAARN CC[C@H](Sc1nc2c3ccccc3sc2c(=O)n1CCCC(=O)NCCOC)C(=O)Nc1cccc(OC)c1 ZINC000101475865 554782214 /nfs/dbraw/zinc/78/22/14/554782214.db2.gz BWSXODCLXAXPIW-NRFANRHFSA-N 0 0 568.721 4.672 50 0 KJAARN CC[C@@H](Sc1nc2c3ccccc3sc2c(=O)n1CCCC(=O)NCCOC)C(=O)Nc1cccc(OC)c1 ZINC000101475867 554782298 /nfs/dbraw/zinc/78/22/98/554782298.db2.gz BWSXODCLXAXPIW-OAQYLSRUSA-N 0 0 568.721 4.672 50 0 KJAARN O=C(CCCn1c(=O)c2sc3ccccc3c2nc1SCC(=O)Nc1ccccc1F)NC[C@@H]1CCCO1 ZINC000101475926 554782312 /nfs/dbraw/zinc/78/23/12/554782312.db2.gz OSPWJRVFIKESPI-KRWDZBQOSA-N 0 0 554.669 4.557 50 0 KJAARN O=C(CCCn1c(=O)c2sc3ccccc3c2nc1SCC(=O)Nc1ccccc1F)NC[C@H]1CCCO1 ZINC000101475934 554782231 /nfs/dbraw/zinc/78/22/31/554782231.db2.gz OSPWJRVFIKESPI-QGZVFWFLSA-N 0 0 554.669 4.557 50 0 KJAARN O=C(CCCn1c(=O)c2sc3ccccc3c2nc1SCC(=O)Nc1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000101475942 554782301 /nfs/dbraw/zinc/78/23/01/554782301.db2.gz QJRSXLTXNQZTKF-IBGZPJMESA-N 0 0 554.669 4.557 50 0 KJAARN O=C(CCCn1c(=O)c2sc3ccccc3c2nc1SCC(=O)Nc1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000101475946 554782240 /nfs/dbraw/zinc/78/22/40/554782240.db2.gz QJRSXLTXNQZTKF-LJQANCHMSA-N 0 0 554.669 4.557 50 0 KJAARN Cc1cccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCC(=O)NC[C@@H]2CCCO2)c1 ZINC000101475949 554782289 /nfs/dbraw/zinc/78/22/89/554782289.db2.gz ZUBQBHCOGHZLHB-FQEVSTJZSA-N 0 0 550.706 4.726 50 0 KJAARN Cc1cccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCC(=O)NC[C@H]2CCCO2)c1 ZINC000101475954 554782218 /nfs/dbraw/zinc/78/22/18/554782218.db2.gz ZUBQBHCOGHZLHB-HXUWFJFHSA-N 0 0 550.706 4.726 50 0 KJAARN COc1ccc(CN2CCN(c3ccccc3C)CC2)cc1OCCNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000101480165 1066206908 /nfs/dbraw/zinc/20/69/08/1066206908.db2.gz AHHWUPIVWCPPQW-UHFFFAOYSA-N 0 0 563.642 4.702 50 0 KJAARN 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/nfs/dbraw/zinc/78/96/91/554789691.db2.gz BGPSQIYEIAYDFE-RWJVBYDYSA-N 0 0 545.426 4.683 50 0 KJAARN CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101505263 554789717 /nfs/dbraw/zinc/78/97/17/554789717.db2.gz BGPSQIYEIAYDFE-IDCDSMMUSA-N 0 0 545.426 4.683 50 0 KJAARN CC(C)[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101506396 554790199 /nfs/dbraw/zinc/79/01/99/554790199.db2.gz MBVXBBBUSFLOFU-XTGAJNFRSA-N 0 0 545.426 4.683 50 0 KJAARN CC(C)[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101506399 554790191 /nfs/dbraw/zinc/79/01/91/554790191.db2.gz MBVXBBBUSFLOFU-CHCBTGSZSA-N 0 0 545.426 4.683 50 0 KJAARN CC(C)[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101506402 554790205 /nfs/dbraw/zinc/79/02/05/554790205.db2.gz MBVXBBBUSFLOFU-RWJVBYDYSA-N 0 0 545.426 4.683 50 0 KJAARN CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101506406 554790209 /nfs/dbraw/zinc/79/02/09/554790209.db2.gz MBVXBBBUSFLOFU-IDCDSMMUSA-N 0 0 545.426 4.683 50 0 KJAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](CC(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101507724 554791564 /nfs/dbraw/zinc/79/15/64/554791564.db2.gz UCVGRVLDZOLRQX-DXSIMJTGSA-N 0 0 539.035 4.728 50 0 KJAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](CC(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101507726 554791512 /nfs/dbraw/zinc/79/15/12/554791512.db2.gz UCVGRVLDZOLRQX-JKGCRDSPSA-N 0 0 539.035 4.728 50 0 KJAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](CC(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101507728 554791533 /nfs/dbraw/zinc/79/15/33/554791533.db2.gz UCVGRVLDZOLRQX-KXLMYSQUSA-N 0 0 539.035 4.728 50 0 KJAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](CC(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000101507730 554791505 /nfs/dbraw/zinc/79/15/05/554791505.db2.gz UCVGRVLDZOLRQX-JXXDWEOVSA-N 0 0 539.035 4.728 50 0 KJAARN CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101507774 554791536 /nfs/dbraw/zinc/79/15/36/554791536.db2.gz QYKMTOOSQRDMTF-RFFSZZMTSA-N 0 0 569.459 4.529 50 0 KJAARN CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101507776 554791470 /nfs/dbraw/zinc/79/14/70/554791470.db2.gz QYKMTOOSQRDMTF-CCPXWOOUSA-N 0 0 569.459 4.529 50 0 KJAARN CC(C)C[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101507777 554791518 /nfs/dbraw/zinc/79/15/18/554791518.db2.gz QYKMTOOSQRDMTF-NIVHOULJSA-N 0 0 569.459 4.529 50 0 KJAARN CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000101507778 554791522 /nfs/dbraw/zinc/79/15/22/554791522.db2.gz QYKMTOOSQRDMTF-MTBINSJKSA-N 0 0 569.459 4.529 50 0 KJAARN CCc1ccc(N(C(=O)c2ccc(NC(C)=O)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1 ZINC000101507817 554791558 /nfs/dbraw/zinc/79/15/58/554791558.db2.gz PWHYDKDKTRQEKZ-UHFFFAOYSA-N 0 0 540.664 4.552 50 0 KJAARN CCc1cccc(N(C(=O)c2ccc(NC(C)=O)cc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)c1 ZINC000101508010 554791744 /nfs/dbraw/zinc/79/17/44/554791744.db2.gz GTWJQXNVYYVLJA-UHFFFAOYSA-N 0 0 540.664 4.552 50 0 KJAARN CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101508674 554791726 /nfs/dbraw/zinc/79/17/26/554791726.db2.gz MPDMUKBWBMNURO-LUASENJMSA-N 0 0 558.560 4.785 50 0 KJAARN CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101508676 554791715 /nfs/dbraw/zinc/79/17/15/554791715.db2.gz MPDMUKBWBMNURO-DIKZQZFXSA-N 0 0 558.560 4.785 50 0 KJAARN CC(C)C[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101508677 554791804 /nfs/dbraw/zinc/79/18/04/554791804.db2.gz MPDMUKBWBMNURO-RHRDVFBWSA-N 0 0 558.560 4.785 50 0 KJAARN CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000101508678 554791784 /nfs/dbraw/zinc/79/17/84/554791784.db2.gz MPDMUKBWBMNURO-OBWDDDHRSA-N 0 0 558.560 4.785 50 0 KJAARN O=C1[C@H]2[C@H]3CCCN3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508691 554791698 /nfs/dbraw/zinc/79/16/98/554791698.db2.gz LACKUSYFZIZRCA-CDLOMYRSSA-N 0 0 543.410 4.533 50 0 KJAARN O=C1[C@H]2[C@H]3CCCN3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508693 554791764 /nfs/dbraw/zinc/79/17/64/554791764.db2.gz LACKUSYFZIZRCA-HZTMJRFTSA-N 0 0 543.410 4.533 50 0 KJAARN O=C1[C@H]2[C@@H]3CCCN3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508695 554791673 /nfs/dbraw/zinc/79/16/73/554791673.db2.gz LACKUSYFZIZRCA-PHBCIFJZSA-N 0 0 543.410 4.533 50 0 KJAARN O=C1[C@H]2[C@@H]3CCCN3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101508696 554791737 /nfs/dbraw/zinc/79/17/37/554791737.db2.gz LACKUSYFZIZRCA-OODISRMCSA-N 0 0 543.410 4.533 50 0 KJAARN COc1ccc(OC)c2nc(N3CCCC3)c(CN(Cc3ccc4c(c3)OCO4)C(=O)CCn3ccc(C)n3)cc12 ZINC000101508832 1066206958 /nfs/dbraw/zinc/20/69/58/1066206958.db2.gz KWQXTRTVAXGLFJ-UHFFFAOYSA-N 0 0 557.651 4.705 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N(Cc2sccc2C)Cc2ccc(F)cc2)C[C@@H]2CCCO2)cc1 ZINC000101509499 554792028 /nfs/dbraw/zinc/79/20/28/554792028.db2.gz WBSSYUHPDALOIL-VWLOTQADSA-N 0 0 573.712 4.553 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N(Cc2sccc2C)Cc2ccc(F)cc2)C[C@H]2CCCO2)cc1 ZINC000101509500 554792039 /nfs/dbraw/zinc/79/20/39/554792039.db2.gz WBSSYUHPDALOIL-RUZDIDTESA-N 0 0 573.712 4.553 50 0 KJAARN CCOC(=O)C1CCC(CN(Cc2cccc(Br)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000101509544 554792041 /nfs/dbraw/zinc/79/20/41/554792041.db2.gz GORDCDSPERRTFY-UHFFFAOYSA-N 0 0 551.503 4.968 50 0 KJAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(c3nc(Cc4ccccc4)nc4c3c(C)nn4-c3ccccc3)CC2)cc1 ZINC000101510491 554792309 /nfs/dbraw/zinc/79/23/09/554792309.db2.gz MDAQRWWACVFVRE-UHFFFAOYSA-N 0 0 595.729 4.574 50 0 KJAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(Cc4ccccc4)CC2)c2cc(Cl)ccc23)cc1 ZINC000101512853 554793135 /nfs/dbraw/zinc/79/31/35/554793135.db2.gz KCJLRCCBHBAWMS-UHFFFAOYSA-N 0 0 547.084 4.648 50 0 KJAARN COc1ccccc1N1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3cccc(Cl)c3)c3ccccc32)CC1 ZINC000101513733 554793438 /nfs/dbraw/zinc/79/34/38/554793438.db2.gz GDWNAPAXONQYET-UHFFFAOYSA-N 0 0 538.069 4.626 50 0 KJAARN COc1ccccc1CNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccc(OC)c(OC)c1 ZINC000101514156 554793627 /nfs/dbraw/zinc/79/36/27/554793627.db2.gz SFUPXSZIXBAPMQ-MHZLTWQESA-N 0 0 531.634 4.701 50 0 KJAARN COc1ccccc1CNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccc(OC)c(OC)c1 ZINC000101514158 554793676 /nfs/dbraw/zinc/79/36/76/554793676.db2.gz SFUPXSZIXBAPMQ-HHHXNRCGSA-N 0 0 531.634 4.701 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cc(C)nc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000101514572 554793592 /nfs/dbraw/zinc/79/35/92/554793592.db2.gz KDIDDHPKBBFFMJ-SANMLTNESA-N 0 0 538.044 4.555 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cc(C)nc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000101514575 554793650 /nfs/dbraw/zinc/79/36/50/554793650.db2.gz KDIDDHPKBBFFMJ-AREMUKBSSA-N 0 0 538.044 4.555 50 0 KJAARN O=C(c1csc(-c2ccc3c(c2)CCO3)n1)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000101514610 554793633 /nfs/dbraw/zinc/79/36/33/554793633.db2.gz GXHUNHZFVJEYIK-UHFFFAOYSA-N 0 0 564.063 4.889 50 0 KJAARN Cc1cc(C)cc(COc2coc(CN3CCN(C(=O)c4csc(-c5ccc6c(c5)CCO6)n4)CC3)cc2=O)c1 ZINC000101514616 554793674 /nfs/dbraw/zinc/79/36/74/554793674.db2.gz COULPCQCVPQWMS-UHFFFAOYSA-N 0 0 557.672 4.852 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1c(F)c(F)c2c(c1F)N(Cc1cccnc1)CCS2(=O)=O ZINC000101514808 554793624 /nfs/dbraw/zinc/79/36/24/554793624.db2.gz GTFHIKIAIVQZTM-UHFFFAOYSA-N 0 0 515.435 4.564 50 0 KJAARN CCCCOc1ccc(N2C(=O)C[C@H](N(Cc3cn(C)nc3C)C(=S)Nc3ccc(C)cc3)C2=O)cc1 ZINC000101531519 554794699 /nfs/dbraw/zinc/79/46/99/554794699.db2.gz YHOKRTOFTUKXNN-VWLOTQADSA-N 0 0 519.671 4.747 50 0 KJAARN CCCCOc1ccc(N2C(=O)C[C@H](N(Cc3cn(C)nc3C)C(=S)Nc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000101531609 554794761 /nfs/dbraw/zinc/79/47/61/554794761.db2.gz IUYGOHBLNFIADE-SANMLTNESA-N 0 0 548.713 4.505 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c4ccccc4oc3C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000101534697 554795447 /nfs/dbraw/zinc/79/54/47/554795447.db2.gz MIGRZMLEAYMCAR-UHFFFAOYSA-N 0 0 586.714 4.743 50 0 KJAARN O=C(C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000101540453 554795797 /nfs/dbraw/zinc/79/57/97/554795797.db2.gz WSZHBMIJTSFOQS-UHFFFAOYSA-N 0 0 530.467 4.672 50 0 KJAARN CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](OCc3cccc(C)c3)c3ccc(Cl)cc3)CC2)s1 ZINC000101551734 554796385 /nfs/dbraw/zinc/79/63/85/554796385.db2.gz BFSMLWZCAXFEDU-DEOSSOPVSA-N 0 0 563.145 4.636 50 0 KJAARN CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@@H](OCc3cccc(C)c3)c3ccc(Cl)cc3)CC2)s1 ZINC000101551740 554796422 /nfs/dbraw/zinc/79/64/22/554796422.db2.gz BFSMLWZCAXFEDU-XMMPIXPASA-N 0 0 563.145 4.636 50 0 KJAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000101557684 554797335 /nfs/dbraw/zinc/79/73/35/554797335.db2.gz BAJNMHYMKAMWOB-UHFFFAOYSA-N 0 0 572.704 4.908 50 0 KJAARN O=C(C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000101557738 554797292 /nfs/dbraw/zinc/79/72/92/554797292.db2.gz ZYQBSHNPIDSKBJ-UHFFFAOYSA-N 0 0 555.654 4.513 50 0 KJAARN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCc4ccccc4OC)CC3)s2)cc1 ZINC000101575404 554798738 /nfs/dbraw/zinc/79/87/38/554798738.db2.gz DHSWJIVPRBVOHY-UHFFFAOYSA-N 0 0 546.697 4.881 50 0 KJAARN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCc4ccc(OC)cc4OC)CC3)s2)cc1 ZINC000101575596 554798990 /nfs/dbraw/zinc/79/89/90/554798990.db2.gz RMOFMFMVXAJDIQ-UHFFFAOYSA-N 0 0 590.750 4.932 50 0 KJAARN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)s2)cc1 ZINC000101575718 554798975 /nfs/dbraw/zinc/79/89/75/554798975.db2.gz LBMDXCIVQXIQFH-UHFFFAOYSA-N 0 0 560.680 4.601 50 0 KJAARN COc1ccc(OC)c(CNC(=O)C2CCN(c3nnc(-n4cccc4CNc4ccc(C)cc4)s3)CC2)c1 ZINC000101576004 554799206 /nfs/dbraw/zinc/79/92/06/554799206.db2.gz CWMIVHZIVPQHNI-UHFFFAOYSA-N 0 0 546.697 4.799 50 0 KJAARN Cc1cc2c(cc(C(=O)N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)n2Cc2c(F)cccc2Cl)o1 ZINC000101576557 554799168 /nfs/dbraw/zinc/79/91/68/554799168.db2.gz OEAAMTNRQWXYSB-UHFFFAOYSA-N 0 0 544.023 4.601 50 0 biogenic KJAARN COc1ccc(/N=c2\oc3c(C)ncc(COC(C)=O)c3cc2C(=O)Nc2cc(OC)cc(OC)c2)c(OC)c1 ZINC000101578753 554799604 /nfs/dbraw/zinc/79/96/04/554799604.db2.gz IYHITMRBXXQLFS-OVXWJCGASA-N 0 0 547.564 4.718 50 0 KJAARN COc1cc2c(cc1OC)n1c(c2NC(C)=O)C(=O)N(Cc2ccccc2)[C@@](C)(C(=O)NC2CCCCCC2)C1 ZINC000101579165 554799592 /nfs/dbraw/zinc/79/95/92/554799592.db2.gz PNUCGQIYFFTASG-WJOKGBTCSA-N 0 0 546.668 4.871 50 0 KJAARN COc1cc2c(cc1OC)n1c(c2NC(C)=O)C(=O)N(Cc2ccccc2)[C@](C)(C(=O)NC2CCCCCC2)C1 ZINC000101579169 554799615 /nfs/dbraw/zinc/79/96/15/554799615.db2.gz PNUCGQIYFFTASG-HKBQPEDESA-N 0 0 546.668 4.871 50 0 KJAARN Cc1ccc(N(CCOC(=O)c2ccccc2)S(=O)(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1 ZINC000101583272 554801255 /nfs/dbraw/zinc/80/12/55/554801255.db2.gz DTDJZRZFPOWJJR-UHFFFAOYSA-N 0 0 575.668 4.608 50 0 KJAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 ZINC000101589691 554801679 /nfs/dbraw/zinc/80/16/79/554801679.db2.gz LXRAGQXXDXMMOD-POTDNYQPSA-N 0 0 512.949 4.538 50 0 KJAARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=CN32)cc1 ZINC000101589892 554802215 /nfs/dbraw/zinc/80/22/15/554802215.db2.gz INYHJVWLZRVBPT-FVYOSNSJSA-N 0 0 555.590 4.989 50 0 KJAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000101589937 554802210 /nfs/dbraw/zinc/80/22/10/554802210.db2.gz GCLWSTWYOXDTFT-QUMGSSFMSA-N 0 0 557.400 4.773 50 0 KJAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000101589942 554802175 /nfs/dbraw/zinc/80/21/75/554802175.db2.gz GCLWSTWYOXDTFT-BKKFENPESA-N 0 0 557.400 4.773 50 0 KJAARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590306 554802519 /nfs/dbraw/zinc/80/25/19/554802519.db2.gz XJOPJYXYFWDENA-HEFUCBFLSA-N 0 0 555.590 4.863 50 0 KJAARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590317 554802488 /nfs/dbraw/zinc/80/24/88/554802488.db2.gz XJOPJYXYFWDENA-WFPUBZAHSA-N 0 0 555.590 4.863 50 0 KJAARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590325 554802475 /nfs/dbraw/zinc/80/24/75/554802475.db2.gz GSMRCWXPZWMLMS-HEFUCBFLSA-N 0 0 555.590 4.863 50 0 KJAARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccncc3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590337 554802544 /nfs/dbraw/zinc/80/25/44/554802544.db2.gz GSMRCWXPZWMLMS-WFPUBZAHSA-N 0 0 555.590 4.863 50 0 KJAARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=CN32)cc1 ZINC000101591399 554803148 /nfs/dbraw/zinc/80/31/48/554803148.db2.gz INYHJVWLZRVBPT-GGKJBDKJSA-N 0 0 555.590 4.989 50 0 KJAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccc(C(F)(F)F)c3)C4=O)CC2)C1 ZINC000101597175 554803695 /nfs/dbraw/zinc/80/36/95/554803695.db2.gz ZJYSVCUGMBCALM-HSZRJFAPSA-N 0 0 598.666 4.825 50 0 KJAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccc(C(F)(F)F)c3)C4=O)CC2)C1 ZINC000101597179 554803644 /nfs/dbraw/zinc/80/36/44/554803644.db2.gz ZJYSVCUGMBCALM-QHCPKHFHSA-N 0 0 598.666 4.825 50 0 KJAARN Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)N1[C@@H](c3ccccc3)[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3N1[C@H]2c1ccccc1 ZINC000101598782 554803712 /nfs/dbraw/zinc/80/37/12/554803712.db2.gz MXMUZKZWMUCQNP-NPHSDDHZSA-N 0 0 582.660 4.748 50 0 KJAARN Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)N1[C@H](c3ccccc3)[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3N1[C@H]2c1ccccc1 ZINC000101598792 554803636 /nfs/dbraw/zinc/80/36/36/554803636.db2.gz MXMUZKZWMUCQNP-GGPHIXJHSA-N 0 0 582.660 4.748 50 0 KJAARN O=C(CN(Cc1ccco1)C(=O)c1ccc2c(c1)OCO2)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000101599532 554803679 /nfs/dbraw/zinc/80/36/79/554803679.db2.gz XEAJEXCCXUZYCM-UHFFFAOYSA-N 0 0 574.037 4.500 50 0 KJAARN O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000101599723 554803908 /nfs/dbraw/zinc/80/39/08/554803908.db2.gz XAPJDLZBWLEOBH-UHFFFAOYSA-N 0 0 574.037 4.500 50 0 KJAARN CC(C)[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101599808 554803913 /nfs/dbraw/zinc/80/39/13/554803913.db2.gz XFMFTOKPFCFGTG-NPJKBUODSA-N 0 0 526.596 4.530 50 0 KJAARN CC(C)[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101599813 554803886 /nfs/dbraw/zinc/80/38/86/554803886.db2.gz XFMFTOKPFCFGTG-RPWGJLQWSA-N 0 0 526.596 4.530 50 0 KJAARN CC(C)[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101599819 554803893 /nfs/dbraw/zinc/80/38/93/554803893.db2.gz XFMFTOKPFCFGTG-UJCZQSIQSA-N 0 0 526.596 4.530 50 0 KJAARN CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000101599827 554803889 /nfs/dbraw/zinc/80/38/89/554803889.db2.gz XFMFTOKPFCFGTG-LUYUGSQRSA-N 0 0 526.596 4.530 50 0 KJAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)c4ccccc4Cl)CC3)nn2)cc1OC ZINC000101602810 554804468 /nfs/dbraw/zinc/80/44/68/554804468.db2.gz SQNYIWSUXVZXNG-UHFFFAOYSA-N 0 0 590.080 4.789 50 0 KJAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)c4ccc(Cl)cc4)CC3)nn2)cc1OC ZINC000101602967 554804498 /nfs/dbraw/zinc/80/44/98/554804498.db2.gz MCLDYGHFOXUVTN-UHFFFAOYSA-N 0 0 590.080 4.789 50 0 KJAARN CC(C)[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101606692 554805107 /nfs/dbraw/zinc/80/51/07/554805107.db2.gz GVFOAYGGUFXSIM-XTGAJNFRSA-N 0 0 545.426 4.683 50 0 KJAARN CC(C)[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101606696 554805076 /nfs/dbraw/zinc/80/50/76/554805076.db2.gz GVFOAYGGUFXSIM-CHCBTGSZSA-N 0 0 545.426 4.683 50 0 KJAARN CC(C)[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101606701 554805083 /nfs/dbraw/zinc/80/50/83/554805083.db2.gz GVFOAYGGUFXSIM-RWJVBYDYSA-N 0 0 545.426 4.683 50 0 KJAARN CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101606707 554805023 /nfs/dbraw/zinc/80/50/23/554805023.db2.gz GVFOAYGGUFXSIM-IDCDSMMUSA-N 0 0 545.426 4.683 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2cc(C)ccc2OC)C3=O)cc1 ZINC000101608515 554805034 /nfs/dbraw/zinc/80/50/34/554805034.db2.gz UBHGFDSCWVBVRL-HKBQPEDESA-N 0 0 540.620 4.620 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2cc(C)ccc2OC)C3=O)cc1 ZINC000101608520 554805120 /nfs/dbraw/zinc/80/51/20/554805120.db2.gz UBHGFDSCWVBVRL-WJOKGBTCSA-N 0 0 540.620 4.620 50 0 KJAARN CC(C)[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101609277 554805299 /nfs/dbraw/zinc/80/52/99/554805299.db2.gz YWZHRYBPRQRKJJ-NPJKBUODSA-N 0 0 526.596 4.530 50 0 KJAARN CC(C)[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101609281 554805309 /nfs/dbraw/zinc/80/53/09/554805309.db2.gz YWZHRYBPRQRKJJ-RPWGJLQWSA-N 0 0 526.596 4.530 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000101609282 554805411 /nfs/dbraw/zinc/80/54/11/554805411.db2.gz QQSFSBCOQUIJRI-GDLZYMKVSA-N 0 0 531.012 4.956 50 0 KJAARN CC(C)[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101609286 554805384 /nfs/dbraw/zinc/80/53/84/554805384.db2.gz YWZHRYBPRQRKJJ-UJCZQSIQSA-N 0 0 526.596 4.530 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000101609287 554805429 /nfs/dbraw/zinc/80/54/29/554805429.db2.gz QQSFSBCOQUIJRI-LJAQVGFWSA-N 0 0 531.012 4.956 50 0 KJAARN CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000101609290 554805359 /nfs/dbraw/zinc/80/53/59/554805359.db2.gz YWZHRYBPRQRKJJ-LUYUGSQRSA-N 0 0 526.596 4.530 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101609392 554805431 /nfs/dbraw/zinc/80/54/31/554805431.db2.gz QELGOHSUEVBACO-SSEXGKCCSA-N 0 0 545.039 4.952 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101609397 554805400 /nfs/dbraw/zinc/80/54/00/554805400.db2.gz QELGOHSUEVBACO-PMERELPUSA-N 0 0 545.039 4.952 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000101609529 554805367 /nfs/dbraw/zinc/80/53/67/554805367.db2.gz AUFWCBPNDBUKDN-SSEXGKCCSA-N 0 0 545.039 4.952 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000101609534 554805306 /nfs/dbraw/zinc/80/53/06/554805306.db2.gz AUFWCBPNDBUKDN-PMERELPUSA-N 0 0 545.039 4.952 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSC1=N/C(=C/c2cn(C)nc2C)C(=O)N1CC ZINC000101610566 554805696 /nfs/dbraw/zinc/80/56/96/554805696.db2.gz CYFCNMIACDMMRG-UDWIEESQSA-N 0 0 537.667 4.565 50 0 KJAARN Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4c(C)nn(-c5ccccc5)c4C)c(=O)n32)o1 ZINC000101610933 554805673 /nfs/dbraw/zinc/80/56/73/554805673.db2.gz OWNSDQOMRXUETE-NULZLWRNSA-N 0 0 563.683 4.886 50 0 KJAARN Cc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4c(C)nn(-c5ccccc5)c4C)c(=O)n32)o1 ZINC000101610939 554805692 /nfs/dbraw/zinc/80/56/92/554805692.db2.gz OWNSDQOMRXUETE-HRIDGTDGSA-N 0 0 563.683 4.886 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSC2=N/C(=C/c3cn(C)nc3C)C(=O)N2c2ccccc2)c(C(=O)OCC)c1C ZINC000101611110 554805706 /nfs/dbraw/zinc/80/57/06/554805706.db2.gz GEEGREGMXLHVKQ-DEDYPNTBSA-N 0 0 595.703 4.567 50 0 KJAARN CCn1nc(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C ZINC000101611505 554805680 /nfs/dbraw/zinc/80/56/80/554805680.db2.gz UEJHXCMDAKQMTQ-RISWYLRJSA-N 0 0 546.096 4.669 50 0 KJAARN CCn1nc(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C ZINC000101611512 554805676 /nfs/dbraw/zinc/80/56/76/554805676.db2.gz UEJHXCMDAKQMTQ-LMSRTUJASA-N 0 0 546.096 4.669 50 0 KJAARN Cc1nn(-c2ccccc2)c(C)c1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1C)=C(C)N=2 ZINC000101611647 554805705 /nfs/dbraw/zinc/80/57/05/554805705.db2.gz PCADBAPAJDDBOK-RAWKODRKSA-N 0 0 559.695 4.985 50 0 KJAARN Cc1nn(-c2ccccc2)c(C)c1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1C)=C(C)N=2 ZINC000101611653 554805658 /nfs/dbraw/zinc/80/56/58/554805658.db2.gz PCADBAPAJDDBOK-XGLKJEJJSA-N 0 0 559.695 4.985 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4c(C)nn(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000101612155 554805860 /nfs/dbraw/zinc/80/58/60/554805860.db2.gz YZOJQTKWNOXPBX-ASUJOLEISA-N 0 0 589.721 4.993 50 0 KJAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4c(C)nn(-c5ccccc5)c4C)c(=O)n32)cc1 ZINC000101612165 554805810 /nfs/dbraw/zinc/80/58/10/554805810.db2.gz YZOJQTKWNOXPBX-OGMUYLFESA-N 0 0 589.721 4.993 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSC1=N/C(=C/c2cnn(C)c2C)C(=O)N1CC ZINC000101612532 554805885 /nfs/dbraw/zinc/80/58/85/554805885.db2.gz AYWQZAVENWPQDQ-UDWIEESQSA-N 0 0 537.667 4.565 50 0 KJAARN CC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCN(C(C)=O)C4)c1 ZINC000101616597 554806089 /nfs/dbraw/zinc/80/60/89/554806089.db2.gz QVLCUEJXOINIJB-UHFFFAOYSA-N 0 0 546.674 4.594 50 0 KJAARN CC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2C)CCN(C(C)=O)C4)c1 ZINC000101616605 554806156 /nfs/dbraw/zinc/80/61/56/554806156.db2.gz XIRJJPLSZXSSNC-UHFFFAOYSA-N 0 0 546.674 4.594 50 0 KJAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000101616684 554806134 /nfs/dbraw/zinc/80/61/34/554806134.db2.gz 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CCCCn1c(CNC(=O)c2cc(OC)cc(OC)c2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101655069 554819267 /nfs/dbraw/zinc/81/92/67/554819267.db2.gz BVWLMONWVHDTGO-KRWDZBQOSA-N 0 0 615.778 4.872 50 0 KJAARN CCCCn1c(CNC(=O)c2cc(OC)cc(OC)c2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101655074 554819211 /nfs/dbraw/zinc/81/92/11/554819211.db2.gz BVWLMONWVHDTGO-QGZVFWFLSA-N 0 0 615.778 4.872 50 0 KJAARN CCCCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000101655097 554819228 /nfs/dbraw/zinc/81/92/28/554819228.db2.gz OIQGMSFEECKHPW-UHFFFAOYSA-N 0 0 615.778 4.873 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)COc3ccccc3)n1CCc1ccccc1)CCC2 ZINC000101655122 554819276 /nfs/dbraw/zinc/81/92/76/554819276.db2.gz CEJVZCALINABLL-UHFFFAOYSA-N 0 0 619.769 4.674 50 0 KJAARN CCCCn1c(CNC(=O)c2cccc(F)c2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101657130 554819670 /nfs/dbraw/zinc/81/96/70/554819670.db2.gz HAXUURJYMHLIHR-INIZCTEOSA-N 0 0 573.716 4.994 50 0 KJAARN CCCCn1c(CNC(=O)c2cccc(F)c2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101657133 554819679 /nfs/dbraw/zinc/81/96/79/554819679.db2.gz HAXUURJYMHLIHR-MRXNPFEDSA-N 0 0 573.716 4.994 50 0 KJAARN CCCCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101657428 554819877 /nfs/dbraw/zinc/81/98/77/554819877.db2.gz FMXKQXCLZYSOEV-SFHVURJKSA-N 0 0 599.779 4.792 50 0 KJAARN CCCCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101657432 554819881 /nfs/dbraw/zinc/81/98/81/554819881.db2.gz FMXKQXCLZYSOEV-GOSISDBHSA-N 0 0 599.779 4.792 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)COc3ccc(Cl)cc3Cl)n1C)CCC2 ZINC000101657560 554819893 /nfs/dbraw/zinc/81/98/93/554819893.db2.gz FZICCIWYVRKMJB-CYBMUJFWSA-N 0 0 612.561 4.663 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)COc3ccc(Cl)cc3Cl)n1C)CCC2 ZINC000101657566 554819895 /nfs/dbraw/zinc/81/98/95/554819895.db2.gz FZICCIWYVRKMJB-ZDUSSCGKSA-N 0 0 612.561 4.663 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccco3)n1-c1cccc(C)c1)CCC2 ZINC000101657581 554819911 /nfs/dbraw/zinc/81/99/11/554819911.db2.gz ZLQADEAUOFCFDF-QGZVFWFLSA-N 0 0 579.704 4.945 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccco3)n1-c1cccc(C)c1)CCC2 ZINC000101657585 554819903 /nfs/dbraw/zinc/81/99/03/554819903.db2.gz ZLQADEAUOFCFDF-KRWDZBQOSA-N 0 0 579.704 4.945 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccc(C)c(C)c3)n1C)CCCC2 ZINC000101657589 554820111 /nfs/dbraw/zinc/82/01/11/554820111.db2.gz AZAHTQRDITVIGZ-QGZVFWFLSA-N 0 0 555.726 4.598 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccc(C)c(C)c3)n1C)CCCC2 ZINC000101657593 554820075 /nfs/dbraw/zinc/82/00/75/554820075.db2.gz AZAHTQRDITVIGZ-KRWDZBQOSA-N 0 0 555.726 4.598 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3cccc(C)c3)n1C)CCCCC2 ZINC000101657621 554820122 /nfs/dbraw/zinc/82/01/22/554820122.db2.gz FKEJRFXDURISEB-QGZVFWFLSA-N 0 0 555.726 4.680 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3cccc(C)c3)n1C)CCCCC2 ZINC000101657624 554820107 /nfs/dbraw/zinc/82/01/07/554820107.db2.gz FKEJRFXDURISEB-KRWDZBQOSA-N 0 0 555.726 4.680 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccc(C)c(C)c3)n1C)CCCCC2 ZINC000101657701 554820064 /nfs/dbraw/zinc/82/00/64/554820064.db2.gz IQCVVAKUIHWGTI-GOSISDBHSA-N 0 0 569.753 4.988 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccc(C)c(C)c3)n1C)CCCCC2 ZINC000101657707 554820118 /nfs/dbraw/zinc/82/01/18/554820118.db2.gz IQCVVAKUIHWGTI-SFHVURJKSA-N 0 0 569.753 4.988 50 0 KJAARN CCCCn1c(CNC(=O)c2ccccc2OC)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101657710 554820120 /nfs/dbraw/zinc/82/01/20/554820120.db2.gz XKHUCXGRGXQCAI-KRWDZBQOSA-N 0 0 585.752 4.863 50 0 KJAARN CCCCn1c(CNC(=O)c2ccccc2OC)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101657712 554820088 /nfs/dbraw/zinc/82/00/88/554820088.db2.gz XKHUCXGRGXQCAI-QGZVFWFLSA-N 0 0 585.752 4.863 50 0 KJAARN CCCCn1c(CNC(=O)Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101657944 554820292 /nfs/dbraw/zinc/82/02/92/554820292.db2.gz JDHLYVIAVQQPQI-SFHVURJKSA-N 0 0 569.753 4.783 50 0 KJAARN CCCCn1c(CNC(=O)Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101657947 554820248 /nfs/dbraw/zinc/82/02/48/554820248.db2.gz JDHLYVIAVQQPQI-GOSISDBHSA-N 0 0 569.753 4.783 50 0 KJAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)COc1ccccc1 ZINC000101659104 554820720 /nfs/dbraw/zinc/82/07/20/554820720.db2.gz MRFDOFDDZQWZJJ-UHFFFAOYSA-N 0 0 553.555 4.536 50 0 KJAARN COc1cc(OC)cc(C(=O)N(Cc2ccc(OC)c(OS(=O)(=O)c3ccc(F)cc3)c2)CC(C)C)c1 ZINC000101659134 554820656 /nfs/dbraw/zinc/82/06/56/554820656.db2.gz UVGJQANMGFOXIY-UHFFFAOYSA-N 0 0 531.602 4.918 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)Cc3ccccc3)n1-c1ccccc1OC)CCC2 ZINC000101659163 554820694 /nfs/dbraw/zinc/82/06/94/554820694.db2.gz UHQMWPDITRBACB-LJQANCHMSA-N 0 0 619.769 4.981 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)Cc3ccccc3)n1-c1ccccc1OC)CCC2 ZINC000101659165 554821032 /nfs/dbraw/zinc/82/10/32/554821032.db2.gz UHQMWPDITRBACB-IBGZPJMESA-N 0 0 619.769 4.981 50 0 KJAARN CCCCn1c(CNC(=O)Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000101659166 554821027 /nfs/dbraw/zinc/82/10/27/554821027.db2.gz YEBUCZJPGCRWTD-IBGZPJMESA-N 0 0 615.778 4.780 50 0 KJAARN CCCCn1c(CNC(=O)Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000101659169 554820950 /nfs/dbraw/zinc/82/09/50/554820950.db2.gz YEBUCZJPGCRWTD-LJQANCHMSA-N 0 0 615.778 4.780 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)COc3ccccc3)n1-c1ccc(F)cc1)CCC2 ZINC000101659180 554820968 /nfs/dbraw/zinc/82/09/68/554820968.db2.gz OPJDKSSEUXORLS-GOSISDBHSA-N 0 0 623.732 4.948 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)COc3ccccc3)n1-c1ccc(F)cc1)CCC2 ZINC000101659182 554821008 /nfs/dbraw/zinc/82/10/08/554821008.db2.gz OPJDKSSEUXORLS-SFHVURJKSA-N 0 0 623.732 4.948 50 0 KJAARN CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101659202 554821005 /nfs/dbraw/zinc/82/10/05/554821005.db2.gz GONSQOLBVAXVCI-XMMPIXPASA-N 0 0 565.619 4.725 50 0 KJAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101659204 554821035 /nfs/dbraw/zinc/82/10/35/554821035.db2.gz GONSQOLBVAXVCI-DEOSSOPVSA-N 0 0 565.619 4.725 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)COc3ccccc3)n1Cc1ccccc1)CCC2 ZINC000101659236 554820983 /nfs/dbraw/zinc/82/09/83/554820983.db2.gz RWHAJVJWPFVYIV-HXUWFJFHSA-N 0 0 619.769 4.868 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)COc3ccccc3)n1Cc1ccccc1)CCC2 ZINC000101659238 554821025 /nfs/dbraw/zinc/82/10/25/554821025.db2.gz RWHAJVJWPFVYIV-FQEVSTJZSA-N 0 0 619.769 4.868 50 0 KJAARN COc1cc2c(cc1OC)[C@H](COc1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 ZINC000101659600 554821110 /nfs/dbraw/zinc/82/11/10/554821110.db2.gz CIEZUWDIWYULJG-SANMLTNESA-N 0 0 620.646 4.562 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](COc1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 ZINC000101659602 554821181 /nfs/dbraw/zinc/82/11/81/554821181.db2.gz CIEZUWDIWYULJG-AREMUKBSSA-N 0 0 620.646 4.562 50 0 KJAARN CCCCn1c(CNC(=O)c2cccc(F)c2)nnc1S[C@@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000101659690 554821388 /nfs/dbraw/zinc/82/13/88/554821388.db2.gz PYMSXVQNSQZAIB-KRWDZBQOSA-N 0 0 619.741 4.990 50 0 KJAARN CCCCn1c(CNC(=O)c2cccc(F)c2)nnc1S[C@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000101659695 554821330 /nfs/dbraw/zinc/82/13/30/554821330.db2.gz PYMSXVQNSQZAIB-QGZVFWFLSA-N 0 0 619.741 4.990 50 0 KJAARN CCCCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101659889 554821337 /nfs/dbraw/zinc/82/13/37/554821337.db2.gz FHJWLWRBDUEGTM-KRWDZBQOSA-N 0 0 615.778 4.872 50 0 KJAARN CCCCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000101659892 554821343 /nfs/dbraw/zinc/82/13/43/554821343.db2.gz FHJWLWRBDUEGTM-QGZVFWFLSA-N 0 0 615.778 4.872 50 0 KJAARN CCCCn1c(CNC(=O)c2ccccc2OC)nnc1S[C@@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000101660052 554821532 /nfs/dbraw/zinc/82/15/32/554821532.db2.gz UZGVVUKNVMUAPG-SFHVURJKSA-N 0 0 631.777 4.859 50 0 KJAARN CCCCn1c(CNC(=O)c2ccccc2OC)nnc1S[C@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC ZINC000101660055 554821488 /nfs/dbraw/zinc/82/14/88/554821488.db2.gz UZGVVUKNVMUAPG-GOSISDBHSA-N 0 0 631.777 4.859 50 0 KJAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2C)c(C(=O)OCC)c1C ZINC000101660066 554821551 /nfs/dbraw/zinc/82/15/51/554821551.db2.gz JAUCYAWWLXPQFV-CQSZACIVSA-N 0 0 627.667 4.607 50 0 KJAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2C)c(C(=O)OCC)c1C ZINC000101660069 554821485 /nfs/dbraw/zinc/82/14/85/554821485.db2.gz JAUCYAWWLXPQFV-AWEZNQCLSA-N 0 0 627.667 4.607 50 0 KJAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)c1ccccc1OC ZINC000101660257 554821594 /nfs/dbraw/zinc/82/15/94/554821594.db2.gz SGPOPODCGXRMDY-UHFFFAOYSA-N 0 0 553.555 4.779 50 0 KJAARN COc1cc(C(=O)N(Cc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)CC(C)C)cc(OC)c1OC ZINC000101664401 554822323 /nfs/dbraw/zinc/82/23/23/554822323.db2.gz WKRVRUBRSYAKES-UHFFFAOYSA-N 0 0 531.602 4.918 50 0 KJAARN COc1cc(C(=O)N(Cc2cccc(OS(=O)(=O)c3ccc(F)cc3)c2)CC(C)C)cc(OC)c1OC ZINC000101664457 554822411 /nfs/dbraw/zinc/82/24/11/554822411.db2.gz XHLIZUJFAOGHEH-UHFFFAOYSA-N 0 0 531.602 4.918 50 0 KJAARN COc1ccc(C(=O)N/C(=C\c2cccc(Br)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(Cl)c1 ZINC000101666088 554822592 /nfs/dbraw/zinc/82/25/92/554822592.db2.gz ZBCOCSATKFOKAR-KAMBDREGSA-N 0 0 582.882 4.690 50 0 biogenic KJAARN COc1ccc(C(=O)N/C(=C\c2cccc(Cl)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(Cl)c1 ZINC000101666161 554822540 /nfs/dbraw/zinc/82/25/40/554822540.db2.gz XSHAQOQNEFALAT-KAMBDREGSA-N 0 0 538.431 4.581 50 0 biogenic KJAARN COc1ccc(Cl)cc1C(=O)N/C(=C/c1ccccc1Cl)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000101666724 554822625 /nfs/dbraw/zinc/82/26/25/554822625.db2.gz WHEBCUGHUXMVIS-JOQYERDFSA-N 0 0 538.431 4.581 50 0 biogenic KJAARN O=C(NC(=Cc1cccc(Br)c1)C(=O)N1CC2CC(C1)c1cccc(=O)n1C2)c1ccccc1Cl ZINC000101666959 554822821 /nfs/dbraw/zinc/82/28/21/554822821.db2.gz FINJAPLLAZHUDB-IVGYBKNSSA-N 0 0 552.856 4.681 50 0 biogenic KJAARN CC(C)N(CC(=O)Nc1nc(CC(=O)NCc2cccc(C(F)(F)F)c2)cs1)C(=O)c1ccc(F)cc1 ZINC000101670163 554823580 /nfs/dbraw/zinc/82/35/80/554823580.db2.gz ZXNDLSSBRIMGSH-UHFFFAOYSA-N 0 0 536.551 4.649 50 0 KJAARN CCOC(=O)N1CCC(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)c(Cl)c4)[C@@]4(C)C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000101671255 554824707 /nfs/dbraw/zinc/82/47/07/554824707.db2.gz LKZVPGWFHOORHA-CWIGUDLDSA-N 0 0 633.573 4.542 50 0 biogenic KJAARN CCOC(=O)N1CCC(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)c(Cl)c4)[C@@]4(C)C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000101671259 554824743 /nfs/dbraw/zinc/82/47/43/554824743.db2.gz LKZVPGWFHOORHA-KROZJEKDSA-N 0 0 633.573 4.542 50 0 biogenic KJAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O ZINC000101671617 554825132 /nfs/dbraw/zinc/82/51/32/554825132.db2.gz YZUYFDBAUXUNHL-VWPQPMDRSA-N 0 0 574.225 4.977 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101672048 554825508 /nfs/dbraw/zinc/82/55/08/554825508.db2.gz MEUGUJJXQASHQF-QYOOZWMWSA-N 0 0 561.516 4.631 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101672052 554825548 /nfs/dbraw/zinc/82/55/48/554825548.db2.gz MEUGUJJXQASHQF-QUMGSSFMSA-N 0 0 561.516 4.631 50 0 KJAARN O=C(Cc1csc(NC(=O)CN(C(=O)c2ccccc2)C2CC2)n1)NCCc1ccc(Cl)cc1Cl ZINC000101674241 554827763 /nfs/dbraw/zinc/82/77/63/554827763.db2.gz PIZWMGNHKGOENM-UHFFFAOYSA-N 0 0 531.465 4.595 50 0 KJAARN COc1cccc(NC(=O)Nc2cc(C(=O)NCCC(C)C)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000101676791 554828089 /nfs/dbraw/zinc/82/80/89/554828089.db2.gz JKZISRIOPKYWII-GGAORHGYSA-N 0 0 543.668 4.901 50 0 KJAARN COc1cccc(NC(=O)Nc2cc(C(=O)NC[C@@H]3COc4ccccc4O3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000101676853 554827960 /nfs/dbraw/zinc/82/79/60/554827960.db2.gz NRSHYDRAGOVPLD-RWCIVJTCSA-N 0 0 621.694 4.694 50 0 KJAARN COc1cc2c(cc1CNC(=O)CSc1nc3sc(C)c(C)c3c(=O)n1-c1ccccc1)OCCCO2 ZINC000101679574 554828235 /nfs/dbraw/zinc/82/82/35/554828235.db2.gz FHYYLBMQZUDMCD-UHFFFAOYSA-N 0 0 537.663 4.642 50 0 KJAARN Cc1cc2c(cc1CNC(=O)Cn1cc(C(=O)C(F)(F)F)c3cc(Br)ccc31)OCCCO2 ZINC000101680240 554828499 /nfs/dbraw/zinc/82/84/99/554828499.db2.gz AZQWKJDUOBVFAD-UHFFFAOYSA-N 0 0 525.321 4.935 50 0 KJAARN CCCCN(CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000101680690 554828470 /nfs/dbraw/zinc/82/84/70/554828470.db2.gz AWHQUFBOVGVMMA-UHFFFAOYSA-N 0 0 587.746 4.744 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2F)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000101681219 554828509 /nfs/dbraw/zinc/82/85/09/554828509.db2.gz BZQQNMGRAZQBDA-UHFFFAOYSA-N 0 0 545.061 4.868 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(F)c(Cl)c1)C2 ZINC000101681336 554828485 /nfs/dbraw/zinc/82/84/85/554828485.db2.gz QYEJDQSPXMHSIQ-UHFFFAOYSA-N 0 0 539.032 4.807 50 0 KJAARN COc1ccc(NC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N3CCC(C)CC3)CC2)c(OC)c1 ZINC000101682513 554828508 /nfs/dbraw/zinc/82/85/08/554828508.db2.gz UJCFRTYBUISCCF-UHFFFAOYSA-N 0 0 537.686 4.744 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000101684582 554829184 /nfs/dbraw/zinc/82/91/84/554829184.db2.gz ZEPCXQZINHZJGH-UHFFFAOYSA-N 0 0 549.697 4.904 50 0 KJAARN COc1cc(NC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N3CCC(C)CC3)CC2)cc(OC)c1 ZINC000101684634 554829198 /nfs/dbraw/zinc/82/91/98/554829198.db2.gz LHRVPJJNBORHIJ-UHFFFAOYSA-N 0 0 537.686 4.744 50 0 KJAARN Cc1nsc2ncc(C(=O)N3CCCC3)c(N3CCC(C(=O)NCc4cccc(Br)c4)CC3)c12 ZINC000101684752 554829182 /nfs/dbraw/zinc/82/91/82/554829182.db2.gz LQOZEQJKJLBCFU-UHFFFAOYSA-N 0 0 542.503 4.531 50 0 KJAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684867 554829185 /nfs/dbraw/zinc/82/91/85/554829185.db2.gz GFKIAIHIRHCNCO-LJAQVGFWSA-N 0 0 560.695 4.717 50 0 KJAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684870 554829191 /nfs/dbraw/zinc/82/91/91/554829191.db2.gz GFKIAIHIRHCNCO-GDLZYMKVSA-N 0 0 560.695 4.717 50 0 KJAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684952 554829176 /nfs/dbraw/zinc/82/91/76/554829176.db2.gz PVYLDVOFSQLUBB-NDEPHWFRSA-N 0 0 548.684 4.573 50 0 KJAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684955 554829545 /nfs/dbraw/zinc/82/95/45/554829545.db2.gz PVYLDVOFSQLUBB-MUUNZHRXSA-N 0 0 548.684 4.573 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101685524 554829491 /nfs/dbraw/zinc/82/94/91/554829491.db2.gz OKEMNJCRSQPOQC-GDLZYMKVSA-N 0 0 572.637 4.589 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101685528 554829478 /nfs/dbraw/zinc/82/94/78/554829478.db2.gz OKEMNJCRSQPOQC-LJAQVGFWSA-N 0 0 572.637 4.589 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101685570 554829504 /nfs/dbraw/zinc/82/95/04/554829504.db2.gz XJSXTMKMGUCBER-GDLZYMKVSA-N 0 0 572.637 4.589 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101685573 554829528 /nfs/dbraw/zinc/82/95/28/554829528.db2.gz XJSXTMKMGUCBER-LJAQVGFWSA-N 0 0 572.637 4.589 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101686353 554829465 /nfs/dbraw/zinc/82/94/65/554829465.db2.gz VCFSMJXAESROQE-GDLZYMKVSA-N 0 0 572.637 4.589 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101686362 554829496 /nfs/dbraw/zinc/82/94/96/554829496.db2.gz VCFSMJXAESROQE-LJAQVGFWSA-N 0 0 572.637 4.589 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101686405 554829760 /nfs/dbraw/zinc/82/97/60/554829760.db2.gz JUORTKNSUJYTBM-PMERELPUSA-N 0 0 586.664 4.979 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101686411 554829707 /nfs/dbraw/zinc/82/97/07/554829707.db2.gz JUORTKNSUJYTBM-SSEXGKCCSA-N 0 0 586.664 4.979 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000101686471 554829704 /nfs/dbraw/zinc/82/97/04/554829704.db2.gz UPUGZIPPRXWCTN-MNNSJKJDSA-N 0 0 576.738 4.743 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000101686474 554829732 /nfs/dbraw/zinc/82/97/32/554829732.db2.gz UPUGZIPPRXWCTN-KPURRNSFSA-N 0 0 576.738 4.743 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101686534 554829711 /nfs/dbraw/zinc/82/97/11/554829711.db2.gz VXVLYDDZDCEHQC-PMERELPUSA-N 0 0 586.664 4.979 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101686540 554829743 /nfs/dbraw/zinc/82/97/43/554829743.db2.gz VXVLYDDZDCEHQC-SSEXGKCCSA-N 0 0 586.664 4.979 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101686577 554829699 /nfs/dbraw/zinc/82/96/99/554829699.db2.gz WSXWITZTARCRCL-HHHXNRCGSA-N 0 0 560.676 4.512 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101686581 554829667 /nfs/dbraw/zinc/82/96/67/554829667.db2.gz WSXWITZTARCRCL-MHZLTWQESA-N 0 0 560.676 4.512 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000101686739 554829695 /nfs/dbraw/zinc/82/96/95/554829695.db2.gz CFWYPWQRCRMOBW-SANMLTNESA-N 0 0 568.674 4.746 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000101686744 554829775 /nfs/dbraw/zinc/82/97/75/554829775.db2.gz CFWYPWQRCRMOBW-AREMUKBSSA-N 0 0 568.674 4.746 50 0 KJAARN O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCCN1CCN(c2ccccc2)CC1 ZINC000101687668 554829955 /nfs/dbraw/zinc/82/99/55/554829955.db2.gz YNPOYPYDUQKEBE-OOAXWGSJSA-N 0 0 533.097 4.758 50 0 KJAARN COc1ccc(CCNC(=O)c2cc(-c3ccccn3)nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)cc1OC ZINC000101687905 554829972 /nfs/dbraw/zinc/82/99/72/554829972.db2.gz WFTINCLUYMUGNP-UHFFFAOYSA-N 0 0 574.703 4.707 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000101688165 554829967 /nfs/dbraw/zinc/82/99/67/554829967.db2.gz VNYGCADPLWNHQR-DWXRJYCRSA-N 0 0 589.520 4.752 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000101688169 554829986 /nfs/dbraw/zinc/82/99/86/554829986.db2.gz VNYGCADPLWNHQR-WXTAPIANSA-N 0 0 589.520 4.752 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000101688184 554829959 /nfs/dbraw/zinc/82/99/59/554829959.db2.gz FDDQDZOWYUEWSN-DWXRJYCRSA-N 0 0 589.520 4.752 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000101688186 554829966 /nfs/dbraw/zinc/82/99/66/554829966.db2.gz FDDQDZOWYUEWSN-WXTAPIANSA-N 0 0 589.520 4.752 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)ccc2N2CCCCC2)cc1 ZINC000101688393 554830207 /nfs/dbraw/zinc/83/02/07/554830207.db2.gz MUHAKJPRQUAJDB-UHFFFAOYSA-N 0 0 596.197 4.992 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)Cc2ccccc2)cc1 ZINC000101688968 554830177 /nfs/dbraw/zinc/83/01/77/554830177.db2.gz CRZYGJTWTPBMEF-UHFFFAOYSA-N 0 0 592.696 4.947 50 0 KJAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000101689249 554830395 /nfs/dbraw/zinc/83/03/95/554830395.db2.gz OFLWJIDRHGXPDY-UHFFFAOYSA-N 0 0 568.674 4.955 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCCCC2)c1)c1ccc2c(c1)OCO2 ZINC000101689277 554830394 /nfs/dbraw/zinc/83/03/94/554830394.db2.gz SWTIFKGCHLEQFI-UHFFFAOYSA-N 0 0 572.637 4.785 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N3CCCCC3)CC2)cc1 ZINC000101689348 554830454 /nfs/dbraw/zinc/83/04/54/554830454.db2.gz CRAQKPQEOSNPPY-UHFFFAOYSA-N 0 0 554.647 4.565 50 0 KJAARN COc1cccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)n3nc(-c4ccccc4)cc3n2)c1 ZINC000101689656 554830391 /nfs/dbraw/zinc/83/03/91/554830391.db2.gz JZJQVOSLWHCKOM-UHFFFAOYSA-N 0 0 547.615 4.759 50 0 KJAARN COc1ccccc1-c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000101690553 554830788 /nfs/dbraw/zinc/83/07/88/554830788.db2.gz AZFAZOOWFDOAED-UHFFFAOYSA-N 0 0 547.615 4.759 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000101690814 554830766 /nfs/dbraw/zinc/83/07/66/554830766.db2.gz RJYJFRPTBQBDNZ-SANMLTNESA-N 0 0 570.690 4.992 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000101690817 554830801 /nfs/dbraw/zinc/83/08/01/554830801.db2.gz RJYJFRPTBQBDNZ-AREMUKBSSA-N 0 0 570.690 4.992 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000101691790 554830781 /nfs/dbraw/zinc/83/07/81/554830781.db2.gz UBHGIBODSZFRQZ-UHFFFAOYSA-N 0 0 568.674 4.779 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000101692294 554831047 /nfs/dbraw/zinc/83/10/47/554831047.db2.gz UQKIMCKTSMVHFN-DWXRJYCRSA-N 0 0 589.520 4.752 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000101692297 554831058 /nfs/dbraw/zinc/83/10/58/554831058.db2.gz UQKIMCKTSMVHFN-WXTAPIANSA-N 0 0 589.520 4.752 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101692581 554831044 /nfs/dbraw/zinc/83/10/44/554831044.db2.gz 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/nfs/dbraw/zinc/83/10/21/554831021.db2.gz SEVQSSCSEMAEKM-XMMPIXPASA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc(OC)c3)C2)cc1 ZINC000101694762 554831280 /nfs/dbraw/zinc/83/12/80/554831280.db2.gz QZTARDYXDWIKGX-DEOSSOPVSA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000101694765 554831224 /nfs/dbraw/zinc/83/12/24/554831224.db2.gz QZTARDYXDWIKGX-XMMPIXPASA-N 0 0 534.059 4.650 50 0 KJAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000101700722 554831544 /nfs/dbraw/zinc/83/15/44/554831544.db2.gz AMZNDRLRJHDNLV-UHFFFAOYSA-N 0 0 543.645 4.502 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cccc(C)c1 ZINC000101701334 554831527 /nfs/dbraw/zinc/83/15/27/554831527.db2.gz BCRTXSRASKBBIA-AREMUKBSSA-N 0 0 503.624 4.519 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1cccc(C)c1 ZINC000101701342 554831511 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QQGGZYVCIWFFBH-VWLOTQADSA-N 0 0 509.603 4.639 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccccc1F ZINC000101709697 554831697 /nfs/dbraw/zinc/83/16/97/554831697.db2.gz QQGGZYVCIWFFBH-RUZDIDTESA-N 0 0 509.603 4.639 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1cccc(F)c1 ZINC000101709749 554831728 /nfs/dbraw/zinc/83/17/28/554831728.db2.gz WGLMOSSBNBKNCB-VWLOTQADSA-N 0 0 509.603 4.639 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1cccc(F)c1 ZINC000101709755 554831747 /nfs/dbraw/zinc/83/17/47/554831747.db2.gz WGLMOSSBNBKNCB-RUZDIDTESA-N 0 0 509.603 4.639 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C(F)(F)F)N=C3SC=C(CC(=O)N4CCCC4)N32)cc1 ZINC000101709911 554831739 /nfs/dbraw/zinc/83/17/39/554831739.db2.gz WHFVSTYTMSUKES-HXUWFJFHSA-N 0 0 509.550 4.777 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C(F)(F)F)N=C3SC=C(CC(=O)N4CCCC4)N32)cc1 ZINC000101709914 554831692 /nfs/dbraw/zinc/83/16/92/554831692.db2.gz WHFVSTYTMSUKES-FQEVSTJZSA-N 0 0 509.550 4.777 50 0 KJAARN Cc1ccc(C)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c1 ZINC000101710020 554831712 /nfs/dbraw/zinc/83/17/12/554831712.db2.gz BIQROQVHUYFXSC-HHHXNRCGSA-N 0 0 517.651 4.871 50 0 KJAARN Cc1ccc(C)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c1 ZINC000101710024 554831701 /nfs/dbraw/zinc/83/17/01/554831701.db2.gz BIQROQVHUYFXSC-MHZLTWQESA-N 0 0 517.651 4.871 50 0 KJAARN Cc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c(C)c1 ZINC000101710074 554831694 /nfs/dbraw/zinc/83/16/94/554831694.db2.gz MOUNZMWDVJYASS-HHHXNRCGSA-N 0 0 517.651 4.871 50 0 KJAARN Cc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c(C)c1 ZINC000101710078 554831670 /nfs/dbraw/zinc/83/16/70/554831670.db2.gz MOUNZMWDVJYASS-MHZLTWQESA-N 0 0 517.651 4.871 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccc(C)cc1 ZINC000101710149 554831724 /nfs/dbraw/zinc/83/17/24/554831724.db2.gz MOVGEJNLXJICLR-AREMUKBSSA-N 0 0 505.640 4.808 50 0 KJAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1ccc(C)cc1 ZINC000101710152 554831753 /nfs/dbraw/zinc/83/17/53/554831753.db2.gz MOVGEJNLXJICLR-SANMLTNESA-N 0 0 505.640 4.808 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1ccc(C)cc1 ZINC000101710705 554831901 /nfs/dbraw/zinc/83/19/01/554831901.db2.gz PKNTUYUJKBOZPA-AREMUKBSSA-N 0 0 503.624 4.519 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1ccc(C)cc1 ZINC000101710709 554831944 /nfs/dbraw/zinc/83/19/44/554831944.db2.gz PKNTUYUJKBOZPA-SANMLTNESA-N 0 0 503.624 4.519 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000101710731 554831932 /nfs/dbraw/zinc/83/19/32/554831932.db2.gz VRLZTZKKVYQJKY-RUZDIDTESA-N 0 0 524.042 4.864 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000101710735 554831930 /nfs/dbraw/zinc/83/19/30/554831930.db2.gz VRLZTZKKVYQJKY-VWLOTQADSA-N 0 0 524.042 4.864 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cccc(Cl)c1 ZINC000101710796 554831961 /nfs/dbraw/zinc/83/19/61/554831961.db2.gz CUWMLNGWMDCLST-RUZDIDTESA-N 0 0 524.042 4.864 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1cccc(Cl)c1 ZINC000101710801 554831908 /nfs/dbraw/zinc/83/19/08/554831908.db2.gz CUWMLNGWMDCLST-VWLOTQADSA-N 0 0 524.042 4.864 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101711610 554831926 /nfs/dbraw/zinc/83/19/26/554831926.db2.gz JSMBXPLYRNLLLD-VWLOTQADSA-N 0 0 524.042 4.907 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101711614 554831941 /nfs/dbraw/zinc/83/19/41/554831941.db2.gz JSMBXPLYRNLLLD-RUZDIDTESA-N 0 0 524.042 4.907 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cc(C)ccc1C ZINC000101713456 554832107 /nfs/dbraw/zinc/83/21/07/554832107.db2.gz XQDZFFSBRYPDDO-HHHXNRCGSA-N 0 0 517.651 4.828 50 0 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CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101715570 554832133 /nfs/dbraw/zinc/83/21/33/554832133.db2.gz HAFJXHWUEBCTPH-VWLOTQADSA-N 0 0 524.042 4.907 50 0 KJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000101715574 554832146 /nfs/dbraw/zinc/83/21/46/554832146.db2.gz HAFJXHWUEBCTPH-RUZDIDTESA-N 0 0 524.042 4.907 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)cc1OC ZINC000101727564 554833080 /nfs/dbraw/zinc/83/30/80/554833080.db2.gz ODRMRWHJGZCRTG-QHCPKHFHSA-N 0 0 538.616 4.637 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)cc1OC ZINC000101727569 554833033 /nfs/dbraw/zinc/83/30/33/554833033.db2.gz ODRMRWHJGZCRTG-HSZRJFAPSA-N 0 0 538.616 4.637 50 0 KJAARN Cc1ccc(Nc2sc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c(N)c2C(=O)Nc2ccccc2)cc1 ZINC000101731979 554833497 /nfs/dbraw/zinc/83/34/97/554833497.db2.gz ZHLWJSSBSTVGPW-RUZDIDTESA-N 0 0 563.705 4.590 50 0 KJAARN Cc1ccc(Nc2sc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c(N)c2C(=O)Nc2ccccc2)cc1 ZINC000101731982 554833477 /nfs/dbraw/zinc/83/34/77/554833477.db2.gz ZHLWJSSBSTVGPW-VWLOTQADSA-N 0 0 563.705 4.590 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101733690 554833518 /nfs/dbraw/zinc/83/35/18/554833518.db2.gz ADDYKAHMOTYENP-IBGZPJMESA-N 0 0 544.592 4.971 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101733695 554833527 /nfs/dbraw/zinc/83/35/27/554833527.db2.gz ADDYKAHMOTYENP-LJQANCHMSA-N 0 0 544.592 4.971 50 0 KJAARN COC(=O)c1c(NC(=O)c2cccnc2)c2cc(NCc3ccc(C(=O)OC)cc3)cnc2n1Cc1ccccc1 ZINC000101734214 554833700 /nfs/dbraw/zinc/83/37/00/554833700.db2.gz FMPNDJYMJSJNEO-UHFFFAOYSA-N 0 0 549.587 4.917 50 0 KJAARN COc1ccc(-c2ccc(C(=O)N(Cc3ccncc3)Cc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)o2)cc1 ZINC000101735828 1066210044 /nfs/dbraw/zinc/21/00/44/1066210044.db2.gz YZQUPVLGGLTCHS-UHFFFAOYSA-N 0 0 587.673 4.921 50 0 KJAARN COCCC(=O)Nc1c2cc(N[C@@H](C)Cc3cccnc3)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000101741542 554834231 /nfs/dbraw/zinc/83/42/31/554834231.db2.gz FPRMMZGZKPCEPA-FQEVSTJZSA-N 0 0 554.651 4.960 50 0 KJAARN COCCC(=O)Nc1c2cc(N[C@H](C)Cc3cccnc3)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000101741546 554834298 /nfs/dbraw/zinc/83/42/98/554834298.db2.gz FPRMMZGZKPCEPA-HXUWFJFHSA-N 0 0 554.651 4.960 50 0 KJAARN COc1cc(CC(=O)N2CC[C@H]3[C@H](CCC(=O)N3CC(c3ccccc3)c3ccccc3)C2)cc(OC)c1OC ZINC000101741704 554834221 /nfs/dbraw/zinc/83/42/21/554834221.db2.gz LUEJGQBHJGXIKP-IAPPQJPRSA-N 0 0 542.676 4.927 50 0 KJAARN Cc1nonc1CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000101742103 554834234 /nfs/dbraw/zinc/83/42/34/554834234.db2.gz MPAXQGDUASWPMR-HHHXNRCGSA-N 0 0 555.635 4.933 50 0 KJAARN Cc1nonc1CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000101742108 554834261 /nfs/dbraw/zinc/83/42/61/554834261.db2.gz MPAXQGDUASWPMR-MHZLTWQESA-N 0 0 555.635 4.933 50 0 KJAARN CCOC(=O)Cc1csc(NC=C2C(=O)N(c3ccccc3C(F)(F)F)C(=O)c3ccccc32)n1 ZINC000101744264 562812096 /nfs/dbraw/zinc/81/20/96/562812096.db2.gz WKGGBAOWGXKNGQ-SFQUDFHCSA-N 0 0 501.486 4.908 50 0 KJAARN O=C(c1cccc(Cl)c1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C1CC1 ZINC000101749788 554834719 /nfs/dbraw/zinc/83/47/19/554834719.db2.gz WRZVHRIKUJYLBK-QHCPKHFHSA-N 0 0 532.037 4.633 50 0 KJAARN O=C(c1cccc(Cl)c1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C1CC1 ZINC000101749791 554834705 /nfs/dbraw/zinc/83/47/05/554834705.db2.gz WRZVHRIKUJYLBK-HSZRJFAPSA-N 0 0 532.037 4.633 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000101749803 554834695 /nfs/dbraw/zinc/83/46/95/554834695.db2.gz VWRPRAVYDDHCFO-MUUNZHRXSA-N 0 0 578.735 4.987 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000101749807 554834722 /nfs/dbraw/zinc/83/47/22/554834722.db2.gz VWRPRAVYDDHCFO-NDEPHWFRSA-N 0 0 578.735 4.987 50 0 KJAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2)n1Cc1ccccc1 ZINC000101750100 554834758 /nfs/dbraw/zinc/83/47/58/554834758.db2.gz MRWAKWMTNDKZIQ-PMERELPUSA-N 0 0 557.716 4.964 50 0 KJAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)n1Cc1ccccc1 ZINC000101750104 554834732 /nfs/dbraw/zinc/83/47/32/554834732.db2.gz MRWAKWMTNDKZIQ-SSEXGKCCSA-N 0 0 557.716 4.964 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1 ZINC000101750137 554835028 /nfs/dbraw/zinc/83/50/28/554835028.db2.gz IBYAQJRUXCPWQP-DEOSSOPVSA-N 0 0 531.625 4.613 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)c1ccc(F)cc1 ZINC000101750142 554835010 /nfs/dbraw/zinc/83/50/10/554835010.db2.gz IBYAQJRUXCPWQP-XMMPIXPASA-N 0 0 531.625 4.613 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccc(C)cc1 ZINC000101750194 554834992 /nfs/dbraw/zinc/83/49/92/554834992.db2.gz NWPTUZCSFSHMLE-UHFFFAOYSA-N 0 0 535.588 4.808 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1cccc(F)c1 ZINC000101750235 554834937 /nfs/dbraw/zinc/83/49/37/554834937.db2.gz SBGCKTSHMVMHMB-UHFFFAOYSA-N 0 0 539.551 4.639 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccccc1C ZINC000101750240 554835017 /nfs/dbraw/zinc/83/50/17/554835017.db2.gz UHTIBAKXGZWIDC-UHFFFAOYSA-N 0 0 535.588 4.808 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)c1ccccc1F ZINC000101750256 554834942 /nfs/dbraw/zinc/83/49/42/554834942.db2.gz MMWJCGHEPJHRKU-QFIPXVFZSA-N 0 0 531.625 4.613 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)c1ccccc1F ZINC000101750258 554835019 /nfs/dbraw/zinc/83/50/19/554835019.db2.gz MMWJCGHEPJHRKU-JOCHJYFZSA-N 0 0 531.625 4.613 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccc(F)cc1 ZINC000101750265 554834956 /nfs/dbraw/zinc/83/49/56/554834956.db2.gz KWWHRZOAKYQCDM-UHFFFAOYSA-N 0 0 539.551 4.639 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccccc1F ZINC000101750374 554834972 /nfs/dbraw/zinc/83/49/72/554834972.db2.gz RTQAAMGNJDUGTB-UHFFFAOYSA-N 0 0 539.551 4.639 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000101750926 554834968 /nfs/dbraw/zinc/83/49/68/554834968.db2.gz PKTBEBPKWDUVJR-QFIPXVFZSA-N 0 0 553.578 4.856 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000101750930 554834918 /nfs/dbraw/zinc/83/49/18/554834918.db2.gz PKTBEBPKWDUVJR-JOCHJYFZSA-N 0 0 553.578 4.856 50 0 KJAARN CC(C)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)c1cccc(Cl)c1 ZINC000101750945 554834980 /nfs/dbraw/zinc/83/49/80/554834980.db2.gz QPUVJLHSUVFWTL-QHCPKHFHSA-N 0 0 534.053 4.879 50 0 KJAARN CC(C)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)c1cccc(Cl)c1 ZINC000101750949 554834995 /nfs/dbraw/zinc/83/49/95/554834995.db2.gz QPUVJLHSUVFWTL-HSZRJFAPSA-N 0 0 534.053 4.879 50 0 KJAARN COCCn1c(CN(CC2CC2)C(=O)c2ccc(Cl)cc2Cl)cnc1S(=O)(=O)Cc1ccccc1 ZINC000101751061 554834976 /nfs/dbraw/zinc/83/49/76/554834976.db2.gz PIPNOQDFKJDSQW-UHFFFAOYSA-N 0 0 536.481 4.863 50 0 KJAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000101751412 554835168 /nfs/dbraw/zinc/83/51/68/554835168.db2.gz RQUWKWFWVZXLQA-NDEPHWFRSA-N 0 0 561.679 4.795 50 0 KJAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000101751416 554835097 /nfs/dbraw/zinc/83/50/97/554835097.db2.gz RQUWKWFWVZXLQA-MUUNZHRXSA-N 0 0 561.679 4.795 50 0 KJAARN O=C(C1CCCC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000101751513 554835101 /nfs/dbraw/zinc/83/51/01/554835101.db2.gz XRYIEYKMSKAMLI-SANMLTNESA-N 0 0 539.673 4.742 50 0 KJAARN O=C(C1CCCC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000101751518 554835159 /nfs/dbraw/zinc/83/51/59/554835159.db2.gz XRYIEYKMSKAMLI-AREMUKBSSA-N 0 0 539.673 4.742 50 0 KJAARN O=C(c1cccs1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000101751528 554835154 /nfs/dbraw/zinc/83/51/54/554835154.db2.gz NCNUOTKIURETEB-DEOSSOPVSA-N 0 0 553.681 4.927 50 0 KJAARN O=C(c1cccs1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000101751532 554835172 /nfs/dbraw/zinc/83/51/72/554835172.db2.gz NCNUOTKIURETEB-XMMPIXPASA-N 0 0 553.681 4.927 50 0 KJAARN COc1cccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2Cc2ccccc2)C2CC2)c1 ZINC000101751539 554835157 /nfs/dbraw/zinc/83/51/57/554835157.db2.gz KZKOBVCSTDIEPD-UHFFFAOYSA-N 0 0 533.625 4.858 50 0 KJAARN O=C(c1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000101751620 554835130 /nfs/dbraw/zinc/83/51/30/554835130.db2.gz KZZOZQJWYBXTKO-MHZLTWQESA-N 0 0 547.652 4.866 50 0 KJAARN O=C(c1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000101751625 554835122 /nfs/dbraw/zinc/83/51/22/554835122.db2.gz KZZOZQJWYBXTKO-HHHXNRCGSA-N 0 0 547.652 4.866 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2Cc2ccccc2)C2CC2)cc1 ZINC000101751648 554835118 /nfs/dbraw/zinc/83/51/18/554835118.db2.gz PVJQQLLUGSZEJC-UHFFFAOYSA-N 0 0 533.625 4.858 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000101751806 554835074 /nfs/dbraw/zinc/83/50/74/554835074.db2.gz XNJPZIGPPWOUPK-UHFFFAOYSA-N 0 0 538.069 4.848 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1)C(=O)c1ccccc1F ZINC000101751890 554835436 /nfs/dbraw/zinc/83/54/36/554835436.db2.gz YALRVMFHAXHYCO-UHFFFAOYSA-N 0 0 535.641 4.642 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC000101751915 554835408 /nfs/dbraw/zinc/83/54/08/554835408.db2.gz LRWQLAKXGSYOHP-UHFFFAOYSA-N 0 0 535.641 4.642 50 0 KJAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000101751940 554835426 /nfs/dbraw/zinc/83/54/26/554835426.db2.gz DCSYQZSCPQZYTD-LJAQVGFWSA-N 0 0 543.689 4.656 50 0 KJAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000101751944 554835372 /nfs/dbraw/zinc/83/53/72/554835372.db2.gz DCSYQZSCPQZYTD-GDLZYMKVSA-N 0 0 543.689 4.656 50 0 KJAARN O=C(c1ccc(F)cc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000101751977 554835398 /nfs/dbraw/zinc/83/53/98/554835398.db2.gz GTXRGELRSCUDPF-NDEPHWFRSA-N 0 0 547.652 4.866 50 0 KJAARN O=C(c1ccc(F)cc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000101751980 554835440 /nfs/dbraw/zinc/83/54/40/554835440.db2.gz GTXRGELRSCUDPF-MUUNZHRXSA-N 0 0 547.652 4.866 50 0 KJAARN O=C(c1ccccc1F)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000101751988 554835430 /nfs/dbraw/zinc/83/54/30/554835430.db2.gz QBXNGDAOFINUFS-SANMLTNESA-N 0 0 547.652 4.866 50 0 KJAARN O=C(c1ccccc1F)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000101751991 554835410 /nfs/dbraw/zinc/83/54/10/554835410.db2.gz QBXNGDAOFINUFS-AREMUKBSSA-N 0 0 547.652 4.866 50 0 KJAARN O=C(c1cccs1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000101752033 554835439 /nfs/dbraw/zinc/83/54/39/554835439.db2.gz FDEAVADEZDLULD-VWLOTQADSA-N 0 0 535.691 4.788 50 0 KJAARN O=C(c1cccs1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000101752036 554835422 /nfs/dbraw/zinc/83/54/22/554835422.db2.gz FDEAVADEZDLULD-RUZDIDTESA-N 0 0 535.691 4.788 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1CCOC)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000101752073 554835400 /nfs/dbraw/zinc/83/54/00/554835400.db2.gz OKSOITQIJVXQPF-UHFFFAOYSA-N 0 0 543.995 4.838 50 0 KJAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000101752108 554835424 /nfs/dbraw/zinc/83/54/24/554835424.db2.gz NLUCTCZVLRZHSH-UHFFFAOYSA-N 0 0 556.059 4.987 50 0 KJAARN COCCn1c(CN(C(=O)c2ccc(Cl)cc2Cl)C2CC2)cnc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000101752384 554835577 /nfs/dbraw/zinc/83/55/77/554835577.db2.gz AENGYDKBCJFJGB-UHFFFAOYSA-N 0 0 536.481 4.923 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1 ZINC000101752402 554835541 /nfs/dbraw/zinc/83/55/41/554835541.db2.gz HRIPRYKRZQZCAN-VWLOTQADSA-N 0 0 531.625 4.613 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)c1ccc(F)cc1 ZINC000101752404 554835522 /nfs/dbraw/zinc/83/55/22/554835522.db2.gz HRIPRYKRZQZCAN-RUZDIDTESA-N 0 0 531.625 4.613 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000101752425 554835480 /nfs/dbraw/zinc/83/54/80/554835480.db2.gz FQWXPWYJRUFTTI-QHCPKHFHSA-N 0 0 535.588 4.717 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000101752430 554835554 /nfs/dbraw/zinc/83/55/54/554835554.db2.gz FQWXPWYJRUFTTI-HSZRJFAPSA-N 0 0 535.588 4.717 50 0 KJAARN O=C(c1cccc(Cl)c1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)CC1CC1 ZINC000101752535 554835512 /nfs/dbraw/zinc/83/55/12/554835512.db2.gz AHHAHGHHPQVLTR-VWLOTQADSA-N 0 0 546.064 4.881 50 0 KJAARN O=C(c1cccc(Cl)c1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)CC1CC1 ZINC000101752537 554835473 /nfs/dbraw/zinc/83/54/73/554835473.db2.gz AHHAHGHHPQVLTR-RUZDIDTESA-N 0 0 546.064 4.881 50 0 KJAARN COCCn1c(CN(C(=O)c2ccc(Cl)cc2Cl)C2CC2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000101752791 554835557 /nfs/dbraw/zinc/83/55/57/554835557.db2.gz JLIQHUVQBWSDLP-UHFFFAOYSA-N 0 0 540.444 4.754 50 0 KJAARN COc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccc(F)cc3)n2Cc2ccccc2)C2CC2)cc1 ZINC000101752816 554835483 /nfs/dbraw/zinc/83/54/83/554835483.db2.gz HWGULRTUSPMNKN-UHFFFAOYSA-N 0 0 533.625 4.858 50 0 KJAARN CC(C)(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000101752864 554835545 /nfs/dbraw/zinc/83/55/45/554835545.db2.gz GHNNSNHDPGDURY-SANMLTNESA-N 0 0 541.689 4.988 50 0 KJAARN CC(C)(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000101752868 554835518 /nfs/dbraw/zinc/83/55/18/554835518.db2.gz GHNNSNHDPGDURY-AREMUKBSSA-N 0 0 541.689 4.988 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)c1ccccc1F ZINC000101752945 554835514 /nfs/dbraw/zinc/83/55/14/554835514.db2.gz KEYCHVNTXLIWGV-QHCPKHFHSA-N 0 0 531.625 4.613 50 0 KJAARN CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)c1ccccc1F ZINC000101752949 554835465 /nfs/dbraw/zinc/83/54/65/554835465.db2.gz KEYCHVNTXLIWGV-HSZRJFAPSA-N 0 0 531.625 4.613 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCOC2)c2cc(NCc3nc4ccccc4n3C)cnc2n1CCc1ccccc1 ZINC000101754445 1066210368 /nfs/dbraw/zinc/21/03/68/1066210368.db2.gz UFGQJNVHUSDVDX-OAQYLSRUSA-N 0 0 552.635 4.539 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(NCc3nc4ccccc4n3C)cnc2n1CCc1ccccc1 ZINC000101754448 1066210353 /nfs/dbraw/zinc/21/03/53/1066210353.db2.gz UFGQJNVHUSDVDX-NRFANRHFSA-N 0 0 552.635 4.539 50 0 KJAARN Cc1cc(-c2ccc(OCC(=O)NCCc3nc4ccccc4n3C)c(CN3CCOCC3)c2)c2ccccc2n1 ZINC000101755452 554835749 /nfs/dbraw/zinc/83/57/49/554835749.db2.gz BDKBRKMKWRYTJJ-UHFFFAOYSA-N 0 0 549.675 4.667 50 0 KJAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(NCc3ccc(F)c(OC)c3)cnc2n1CCc1ccccn1 ZINC000101756576 1066210378 /nfs/dbraw/zinc/21/03/78/1066210378.db2.gz SFBREGKDDYTYPY-UHFFFAOYSA-N 0 0 531.588 4.959 50 0 KJAARN CC(C)(C)c1ccc(COc2coc(CN3CCCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)cc2=O)cc1 ZINC000101757276 554836075 /nfs/dbraw/zinc/83/60/75/554836075.db2.gz ZZVLCPAFBLJCOW-UHFFFAOYSA-N 0 0 546.636 4.691 50 0 KJAARN CC(C)(C)c1ccc(COc2coc(CN3CCN(C(=O)C4CCN(c5nccc(C(F)(F)F)n5)CC4)CC3)cc2=O)cc1 ZINC000101757370 554836186 /nfs/dbraw/zinc/83/61/86/554836186.db2.gz LWUOHRXVBVMCEV-UHFFFAOYSA-N 0 0 613.681 4.886 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)c(OCc4ccc(C(C)(C)C)cc4)co3)CC2)c(C)c1 ZINC000101757435 554836333 /nfs/dbraw/zinc/83/63/33/554836333.db2.gz BLUCSNNVOJDSGZ-UHFFFAOYSA-N 0 0 538.710 4.948 50 0 KJAARN CC(C)(C)c1ccc(COc2coc(CN3CCN(S(=O)(=O)c4cc(F)c(F)cc4Cl)CC3)cc2=O)cc1 ZINC000101757448 554836236 /nfs/dbraw/zinc/83/62/36/554836236.db2.gz GJZOZFROBMMHEV-UHFFFAOYSA-N 0 0 567.054 4.954 50 0 KJAARN CC(C)(C)c1ccc(COc2coc(CN3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc2=O)cc1 ZINC000101757487 554836349 /nfs/dbraw/zinc/83/63/49/554836349.db2.gz BCBBCVLMOXOHNN-UHFFFAOYSA-N 0 0 580.625 4.921 50 0 KJAARN CCCN(C(=O)CSc1nc(C)nc2sc(-c3ccccc3)cc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000101759285 554836613 /nfs/dbraw/zinc/83/66/13/554836613.db2.gz JUFZLRATOPPOAD-UHFFFAOYSA-N 0 0 572.716 4.683 50 0 KJAARN Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)COc1ccc(-c2cc(C)nc3ccccc32)cc1CN1CCOCC1 ZINC000101766203 554837133 /nfs/dbraw/zinc/83/71/33/554837133.db2.gz DZXAKEHVOYJBCQ-QHCPKHFHSA-N 0 0 541.696 4.991 50 0 KJAARN Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)COc1ccc(-c2cc(C)nc3ccccc32)cc1CN1CCOCC1 ZINC000101766208 554837158 /nfs/dbraw/zinc/83/71/58/554837158.db2.gz DZXAKEHVOYJBCQ-HSZRJFAPSA-N 0 0 541.696 4.991 50 0 KJAARN Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)N(Cc3ccccc3Cl)C2)n1 ZINC000101766905 554837122 /nfs/dbraw/zinc/83/71/22/554837122.db2.gz NEJOIBRZQRFYHH-GJZUVCINSA-N 0 0 540.108 4.970 50 0 KJAARN CN(Cc1cscn1)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)CC1 ZINC000101771363 554837404 /nfs/dbraw/zinc/83/74/04/554837404.db2.gz NHCFGNLFAGSCNQ-UHFFFAOYSA-N 0 0 542.583 4.833 50 0 KJAARN COc1ccc(CNC(=O)COc2ccc(-c3ccc(F)cc3)cc2CN(C)Cc2nonc2C)cc1OC ZINC000101773624 554837628 /nfs/dbraw/zinc/83/76/28/554837628.db2.gz OCNYXVMRTLQVJP-UHFFFAOYSA-N 0 0 534.588 4.529 50 0 KJAARN Cc1nonc1CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000101780145 554838195 /nfs/dbraw/zinc/83/81/95/554838195.db2.gz ZBESVDZJKYUNSL-UHFFFAOYSA-N 0 0 583.689 4.750 50 0 KJAARN COc1cc([C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc(OC)c1OC ZINC000101780336 554838200 /nfs/dbraw/zinc/83/82/00/554838200.db2.gz BUTUOJLDOZVYJS-KAYWLYCHSA-N 0 0 557.691 4.534 50 0 KJAARN COc1cc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc(OC)c1OC ZINC000101780341 554838227 /nfs/dbraw/zinc/83/82/27/554838227.db2.gz BUTUOJLDOZVYJS-RRPNLBNLSA-N 0 0 557.691 4.534 50 0 KJAARN COc1cc([C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc(OC)c1OC ZINC000101780346 554838212 /nfs/dbraw/zinc/83/82/12/554838212.db2.gz BUTUOJLDOZVYJS-SXOMAYOGSA-N 0 0 557.691 4.534 50 0 KJAARN COc1cc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)cc(OC)c1OC ZINC000101780350 554838190 /nfs/dbraw/zinc/83/81/90/554838190.db2.gz BUTUOJLDOZVYJS-SVBPBHIXSA-N 0 0 557.691 4.534 50 0 KJAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(NCc3cc(OC)cc(OC)c3)cnc2n1CCc1ccccn1 ZINC000101785133 554838529 /nfs/dbraw/zinc/83/85/29/554838529.db2.gz APMPHVIWFRFIDR-UHFFFAOYSA-N 0 0 543.624 4.829 50 0 KJAARN O=S(=O)([N-]c1nncs1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnn2C2C[NH2+]C2)cc1F ZINC000101788058 554838784 /nfs/dbraw/zinc/83/87/84/554838784.db2.gz XGPDJOZWOGPDLD-UHFFFAOYSA-N 0 0 574.969 4.950 50 0 KJAARN COC(=O)c1c(NC(=O)C2CC2)c2cc(NCc3cc4c(c(OC)c3)OCO4)cnc2n1Cc1ccccc1 ZINC000101788836 1066210773 /nfs/dbraw/zinc/21/07/73/1066210773.db2.gz IAVCSZYQHAJMFO-UHFFFAOYSA-N 0 0 528.565 4.569 50 0 KJAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000101789357 554838775 /nfs/dbraw/zinc/83/87/75/554838775.db2.gz NRTKBXXHCXIJEY-HXUWFJFHSA-N 0 0 528.184 4.661 50 0 KJAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000101789360 554838661 /nfs/dbraw/zinc/83/86/61/554838661.db2.gz NRTKBXXHCXIJEY-FQEVSTJZSA-N 0 0 528.184 4.661 50 0 KJAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(I)cc1 ZINC000101790124 554838779 /nfs/dbraw/zinc/83/87/79/554838779.db2.gz MAZVJJGIHRCQSV-HSZRJFAPSA-N 0 0 517.750 4.952 50 0 KJAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(I)cc1 ZINC000101790127 554838682 /nfs/dbraw/zinc/83/86/82/554838682.db2.gz MAZVJJGIHRCQSV-QHCPKHFHSA-N 0 0 517.750 4.952 50 0 KJAARN O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccc(I)cc1 ZINC000101790495 554838677 /nfs/dbraw/zinc/83/86/77/554838677.db2.gz OKONPMQEFXBOOL-XMMPIXPASA-N 0 0 531.777 4.995 50 0 KJAARN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccc(I)cc1 ZINC000101790499 554838667 /nfs/dbraw/zinc/83/86/67/554838667.db2.gz OKONPMQEFXBOOL-DEOSSOPVSA-N 0 0 531.777 4.995 50 0 KJAARN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000101791663 554838731 /nfs/dbraw/zinc/83/87/31/554838731.db2.gz VFBHIOYJQIKNCO-DEOSSOPVSA-N 0 0 543.590 4.617 50 0 KJAARN CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000101791667 554838751 /nfs/dbraw/zinc/83/87/51/554838751.db2.gz VFBHIOYJQIKNCO-XMMPIXPASA-N 0 0 543.590 4.617 50 0 KJAARN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000101792786 554838693 /nfs/dbraw/zinc/83/86/93/554838693.db2.gz MZJBJJBQEWSEJQ-DEOSSOPVSA-N 0 0 543.590 4.617 50 0 KJAARN CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000101792790 554838686 /nfs/dbraw/zinc/83/86/86/554838686.db2.gz MZJBJJBQEWSEJQ-XMMPIXPASA-N 0 0 543.590 4.617 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000101793427 554839029 /nfs/dbraw/zinc/83/90/29/554839029.db2.gz MMCMROONUKWRPN-UHFFFAOYSA-N 0 0 544.054 4.617 50 0 KJAARN COc1cccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000101793592 554839032 /nfs/dbraw/zinc/83/90/32/554839032.db2.gz BUKCRBUYDHGLJO-UHFFFAOYSA-N 0 0 544.054 4.860 50 0 KJAARN O=C(c1cccs1)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101793597 554839052 /nfs/dbraw/zinc/83/90/52/554839052.db2.gz TVNWUTREPNGKOT-UHFFFAOYSA-N 0 0 520.057 4.913 50 0 KJAARN O=C(COc1ccccc1)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101793601 554839036 /nfs/dbraw/zinc/83/90/36/554839036.db2.gz PUNRKJPXMGWUHP-UHFFFAOYSA-N 0 0 544.054 4.617 50 0 KJAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc(I)cc1 ZINC000101795194 554839173 /nfs/dbraw/zinc/83/91/73/554839173.db2.gz MIUXNKRYWYDQKQ-HSZRJFAPSA-N 0 0 517.750 4.952 50 0 KJAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc(I)cc1 ZINC000101795197 554839199 /nfs/dbraw/zinc/83/91/99/554839199.db2.gz MIUXNKRYWYDQKQ-QHCPKHFHSA-N 0 0 517.750 4.952 50 0 KJAARN Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)N(Cc3cc(F)ccc3F)C2)n1 ZINC000101797012 554839298 /nfs/dbraw/zinc/83/92/98/554839298.db2.gz IUUVODAZHJEKCV-GJZUVCINSA-N 0 0 541.643 4.595 50 0 KJAARN Cc1nonc1CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)NCc1nc2ccccc2s1 ZINC000101797745 554839150 /nfs/dbraw/zinc/83/91/50/554839150.db2.gz DPQBOWJHULNIIY-UHFFFAOYSA-N 0 0 557.632 4.711 50 0 KJAARN COC(=O)c1c(NC(=O)c2cccnc2)c2cc(NCc3ccc4c(c3)OCCO4)cnc2n1Cc1ccccc1 ZINC000101801630 554839522 /nfs/dbraw/zinc/83/95/22/554839522.db2.gz FBJBZALDRARZEW-UHFFFAOYSA-N 0 0 549.587 4.902 50 0 KJAARN COc1cc(CN(Cc2ccncc2)C(=O)Cc2cccc(C(F)(F)F)c2)cc(OC)c1OCCN1CCOCC1 ZINC000101807655 1066210878 /nfs/dbraw/zinc/21/08/78/1066210878.db2.gz TZRGVEVGMKPBIS-UHFFFAOYSA-N 0 0 573.612 4.600 50 0 KJAARN CNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1 ZINC000101812035 554839768 /nfs/dbraw/zinc/83/97/68/554839768.db2.gz NLCLOGJCKHZCIR-FQEVSTJZSA-N 0 0 526.920 4.804 50 0 KJAARN CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1 ZINC000101812040 554839809 /nfs/dbraw/zinc/83/98/09/554839809.db2.gz NLCLOGJCKHZCIR-HXUWFJFHSA-N 0 0 526.920 4.804 50 0 KJAARN COC(=O)c1c(NC(C)=O)c2cc(NCc3ccc(OC)c(OC)c3)cnc2n1CCc1ccc(OC)cc1 ZINC000101813097 1066210807 /nfs/dbraw/zinc/21/08/07/1066210807.db2.gz PGHCEXHFHWNQSJ-UHFFFAOYSA-N 0 0 532.597 4.662 50 0 KJAARN CC(C)C[C@@H](C)[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(F)c(F)c4)ccc3n2)CC1 ZINC000101813849 554840021 /nfs/dbraw/zinc/84/00/21/554840021.db2.gz VWMANVOHXQWAKD-QGZVFWFLSA-N 0 0 532.613 4.569 50 0 KJAARN CC(C)C[C@H](C)[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(F)c(F)c4)ccc3n2)CC1 ZINC000101813854 554839994 /nfs/dbraw/zinc/83/99/94/554839994.db2.gz VWMANVOHXQWAKD-KRWDZBQOSA-N 0 0 532.613 4.569 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3cccc(C)c3)nn3c2nc(C)cc3C)cc1S(=O)(=O)NC1CCCC1 ZINC000101819655 554840153 /nfs/dbraw/zinc/84/01/53/554840153.db2.gz UQDKSNLZOCOOBO-UHFFFAOYSA-N 0 0 533.654 4.803 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(C)cc3)nn3c2nc(C)cc3C)cc1S(=O)(=O)NC1CCCC1 ZINC000101819662 554840188 /nfs/dbraw/zinc/84/01/88/554840188.db2.gz SHKBPTQVWTYGJY-UHFFFAOYSA-N 0 0 533.654 4.803 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccccc3C)nn3c2nc(C)cc3C)cc1S(=O)(=O)NC1CCCC1 ZINC000101819700 554840144 /nfs/dbraw/zinc/84/01/44/554840144.db2.gz RFGQFZVXMWEWHQ-UHFFFAOYSA-N 0 0 533.654 4.803 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(F)cc3)nn3c2nc(C)cc3C)cc1S(=O)(=O)NC1CCCC1 ZINC000101819712 554840163 /nfs/dbraw/zinc/84/01/63/554840163.db2.gz OIDDQRJJVHFFLL-UHFFFAOYSA-N 0 0 537.617 4.634 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccccc3F)nn3c2nc(C)cc3C)cc1S(=O)(=O)NC1CCCC1 ZINC000101819717 554840213 /nfs/dbraw/zinc/84/02/13/554840213.db2.gz ORWQINASGKDJSK-UHFFFAOYSA-N 0 0 537.617 4.634 50 0 KJAARN COc1ccc(NC(=O)c2nn3c(nc(C)cc3C)c2-c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1 ZINC000101819739 554840150 /nfs/dbraw/zinc/84/01/50/554840150.db2.gz SXUUDYRBFLFMPG-UHFFFAOYSA-N 0 0 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KJAARN CCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3ccc(C)cc3C)nn3c2nc(C)cc3C)ccc1OC ZINC000101819788 554840167 /nfs/dbraw/zinc/84/01/67/554840167.db2.gz ULKFAJXEZOXXFM-UHFFFAOYSA-N 0 0 535.670 4.921 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3cc(C)ccc3C)nn3c2nc(C)cc3C)ccc1OC ZINC000101819794 554840142 /nfs/dbraw/zinc/84/01/42/554840142.db2.gz IQLZFXODACNYLP-UHFFFAOYSA-N 0 0 535.670 4.921 50 0 KJAARN CCc1ccc(NC(=O)c2nn3c(nc(C)cc3C)c2-c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)cc1 ZINC000101819815 554840460 /nfs/dbraw/zinc/84/04/60/554840460.db2.gz CXFCKCXUWDQNMX-UHFFFAOYSA-N 0 0 535.670 4.867 50 0 KJAARN CCc1ccccc1NC(=O)c1nn2c(nc(C)cc2C)c1-c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 ZINC000101819820 554840395 /nfs/dbraw/zinc/84/03/95/554840395.db2.gz DARCITJBMJLURG-UHFFFAOYSA-N 0 0 535.670 4.867 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3c(C)cccc3C)nn3c2nc(C)cc3C)ccc1OC ZINC000101819825 554840470 /nfs/dbraw/zinc/84/04/70/554840470.db2.gz RMSVVAUVIKBXMC-UHFFFAOYSA-N 0 0 535.670 4.921 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3cccc(C)c3C)nn3c2nc(C)cc3C)ccc1OC ZINC000101819834 554840444 /nfs/dbraw/zinc/84/04/44/554840444.db2.gz WPRBNXWCXKGCGN-UHFFFAOYSA-N 0 0 535.670 4.921 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3ccc(Cl)cc3)nn3c2nc(C)cc3C)ccc1OC ZINC000101819845 554840466 /nfs/dbraw/zinc/84/04/66/554840466.db2.gz CLCFOAXUEXEHIR-UHFFFAOYSA-N 0 0 542.061 4.958 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3cccc(Cl)c3)nn3c2nc(C)cc3C)ccc1OC ZINC000101819852 554840390 /nfs/dbraw/zinc/84/03/90/554840390.db2.gz XICRZVSTRFGNBS-UHFFFAOYSA-N 0 0 542.061 4.958 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3ccccc3Cl)nn3c2nc(C)cc3C)ccc1OC ZINC000101819859 554840471 /nfs/dbraw/zinc/84/04/71/554840471.db2.gz RMRPVILFQMLWQU-UHFFFAOYSA-N 0 0 542.061 4.958 50 0 KJAARN Cc1cc(C)n2nc(C(=O)Nc3ccc(C(C)C)cc3)c(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2n1 ZINC000101819933 554840428 /nfs/dbraw/zinc/84/04/28/554840428.db2.gz CYGNBNXALSVUMH-UHFFFAOYSA-N 0 0 547.681 4.718 50 0 KJAARN 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CC(=O)c1ccc(NC(=O)c2nn3c(nc(C)cc3C)c2-c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000101820181 554840617 /nfs/dbraw/zinc/84/06/17/554840617.db2.gz XJCZJGBFIQVJDF-UHFFFAOYSA-N 0 0 545.665 4.951 50 0 KJAARN CC(=O)c1cccc(NC(=O)c2nn3c(nc(C)cc3C)c2-c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000101820202 554840542 /nfs/dbraw/zinc/84/05/42/554840542.db2.gz LEOVALQUHVEJGW-UHFFFAOYSA-N 0 0 531.638 4.561 50 0 KJAARN Cc1cc(C)n2nc(C(=O)Nc3ccc(F)cc3F)c(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)c2n1 ZINC000101820276 554840867 /nfs/dbraw/zinc/84/08/67/554840867.db2.gz MNIBRBCXXCRWJE-UHFFFAOYSA-N 0 0 525.581 4.637 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3cccc(C)c3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000101820313 554840788 /nfs/dbraw/zinc/84/07/88/554840788.db2.gz CQEQJVTXCMBTAS-UHFFFAOYSA-N 0 0 533.654 4.757 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(C)cc3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000101820319 554840844 /nfs/dbraw/zinc/84/08/44/554840844.db2.gz TUEPBWXTNFHTRL-UHFFFAOYSA-N 0 0 533.654 4.757 50 0 KJAARN COc1ccc(-c2c(C(=O)N[C@@H](C)c3ccccc3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000101820373 554840807 /nfs/dbraw/zinc/84/08/07/554840807.db2.gz AEPTYGJECLANMD-NRFANRHFSA-N 0 0 547.681 4.687 50 0 KJAARN COc1ccc(-c2c(C(=O)N[C@H](C)c3ccccc3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000101820379 554840801 /nfs/dbraw/zinc/84/08/01/554840801.db2.gz AEPTYGJECLANMD-OAQYLSRUSA-N 0 0 547.681 4.687 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccccc3C)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000101820404 554840816 /nfs/dbraw/zinc/84/08/16/554840816.db2.gz UQEZBAROSGPHCV-UHFFFAOYSA-N 0 0 533.654 4.757 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(F)cc3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000101820420 554840798 /nfs/dbraw/zinc/84/07/98/554840798.db2.gz XJTXYKMVHSJDCY-UHFFFAOYSA-N 0 0 537.617 4.588 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3cccc(F)c3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000101820428 554840804 /nfs/dbraw/zinc/84/08/04/554840804.db2.gz HULGXEVLOKMBPP-UHFFFAOYSA-N 0 0 537.617 4.588 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccccc3F)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000101820433 554840813 /nfs/dbraw/zinc/84/08/13/554840813.db2.gz JHYUPXFFEAUGGX-UHFFFAOYSA-N 0 0 537.617 4.588 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@@H]2CCCO2)cc1 ZINC000101820436 554840870 /nfs/dbraw/zinc/84/08/70/554840870.db2.gz ZBVCEYJIPPHEMD-QFIPXVFZSA-N 0 0 539.585 4.757 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@H]2CCCO2)cc1 ZINC000101820444 554840862 /nfs/dbraw/zinc/84/08/62/554840862.db2.gz ZBVCEYJIPPHEMD-JOCHJYFZSA-N 0 0 539.585 4.757 50 0 KJAARN COc1ccc(-c2c(C(=O)NC3CCCCCC3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000101820456 554840794 /nfs/dbraw/zinc/84/07/94/554840794.db2.gz KBPJSTCWJDBQCN-UHFFFAOYSA-N 0 0 539.702 4.649 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3cc(C)ccc3F)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820532 554840969 /nfs/dbraw/zinc/84/09/69/554840969.db2.gz IKNABRKCCBRGHJ-UHFFFAOYSA-N 0 0 537.617 4.506 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(C)cc3F)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820537 554841011 /nfs/dbraw/zinc/84/10/11/554841011.db2.gz RNOANJIQDWDPSO-UHFFFAOYSA-N 0 0 537.617 4.506 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3cccc(F)c3C)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820544 554840984 /nfs/dbraw/zinc/84/09/84/554840984.db2.gz NBLMJQFCNZXRHF-UHFFFAOYSA-N 0 0 537.617 4.506 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(F)c(C)c3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820550 554840960 /nfs/dbraw/zinc/84/09/60/554840960.db2.gz VKOSHRBSIYHDSB-UHFFFAOYSA-N 0 0 537.617 4.506 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(C)c(F)c3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820596 554840953 /nfs/dbraw/zinc/84/09/53/554840953.db2.gz GKOHEBXSECUNQQ-UHFFFAOYSA-N 0 0 537.617 4.506 50 0 KJAARN CCc1cccc(C)c1NC(=O)c1nn2c(nc(C)cc2C)c1-c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000101820627 554840977 /nfs/dbraw/zinc/84/09/77/554840977.db2.gz LQKYNAJLQCSDJQ-UHFFFAOYSA-N 0 0 547.681 4.929 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3cc(C)cc(C)c3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820648 554840987 /nfs/dbraw/zinc/84/09/87/554840987.db2.gz ZGGGCPKSYNLBAS-UHFFFAOYSA-N 0 0 533.654 4.675 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(C)c(C)c3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820661 554841031 /nfs/dbraw/zinc/84/10/31/554841031.db2.gz SGIYDPKOEZEPIR-UHFFFAOYSA-N 0 0 533.654 4.675 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(C)cc3C)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820678 554840994 /nfs/dbraw/zinc/84/09/94/554840994.db2.gz WDMDYEXCNYANRV-UHFFFAOYSA-N 0 0 533.654 4.675 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3cc(C)ccc3C)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820682 554840972 /nfs/dbraw/zinc/84/09/72/554840972.db2.gz WTAOZXGFPKLOBP-UHFFFAOYSA-N 0 0 533.654 4.675 50 0 KJAARN CCc1ccc(NC(=O)c2nn3c(nc(C)cc3C)c2-c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000101820706 554841262 /nfs/dbraw/zinc/84/12/62/554841262.db2.gz UHGOMDJOYMCMAK-UHFFFAOYSA-N 0 0 533.654 4.621 50 0 KJAARN CCc1ccccc1NC(=O)c1nn2c(nc(C)cc2C)c1-c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000101820710 554841278 /nfs/dbraw/zinc/84/12/78/554841278.db2.gz OAZFYIFUXMNESG-UHFFFAOYSA-N 0 0 533.654 4.621 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3c(C)cccc3C)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820713 554841238 /nfs/dbraw/zinc/84/12/38/554841238.db2.gz UIZUCYCWSBIJIU-UHFFFAOYSA-N 0 0 533.654 4.675 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccc(Cl)cc3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820722 554841274 /nfs/dbraw/zinc/84/12/74/554841274.db2.gz RYEYWJUARVDJTD-UHFFFAOYSA-N 0 0 540.045 4.712 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3cccc(Cl)c3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820728 554841222 /nfs/dbraw/zinc/84/12/22/554841222.db2.gz OUMSSBWJUHVEMF-UHFFFAOYSA-N 0 0 540.045 4.712 50 0 KJAARN COc1ccc(-c2c(C(=O)Nc3ccccc3Cl)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000101820731 554841276 /nfs/dbraw/zinc/84/12/76/554841276.db2.gz AIUONADHWYJFNA-UHFFFAOYSA-N 0 0 540.045 4.712 50 0 KJAARN CC[C@H](C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1ccccc1 ZINC000101824381 554841244 /nfs/dbraw/zinc/84/12/44/554841244.db2.gz CGUUYTQYAZWQGU-LVXARBLLSA-N 0 0 548.709 4.560 50 0 KJAARN CC[C@@H](C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)c1ccccc1 ZINC000101824384 554841287 /nfs/dbraw/zinc/84/12/87/554841287.db2.gz CGUUYTQYAZWQGU-HFZDXXHNSA-N 0 0 548.709 4.560 50 0 KJAARN CC[C@H](C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 ZINC000101824391 554841250 /nfs/dbraw/zinc/84/12/50/554841250.db2.gz CGUUYTQYAZWQGU-RLWLMLJZSA-N 0 0 548.709 4.560 50 0 KJAARN CC[C@@H](C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 ZINC000101824394 554841272 /nfs/dbraw/zinc/84/12/72/554841272.db2.gz CGUUYTQYAZWQGU-QFQXNSOFSA-N 0 0 548.709 4.560 50 0 KJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000101829380 554841450 /nfs/dbraw/zinc/84/14/50/554841450.db2.gz UZXOACCOPANNCN-UHFFFAOYSA-N 0 0 526.481 4.960 50 0 KJAARN CC(C)CCNC(=O)c1ccc(Cn2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000101832110 554841691 /nfs/dbraw/zinc/84/16/91/554841691.db2.gz CDXMCLMTDKWBTO-UHFFFAOYSA-N 0 0 542.705 4.672 50 0 KJAARN CC(C)CCNC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccc(F)cc3)nc3ccccc3c2=O)cc1 ZINC000101832115 554841614 /nfs/dbraw/zinc/84/16/14/554841614.db2.gz MVLKFVSSZUKJEI-UHFFFAOYSA-N 0 0 546.668 4.768 50 0 KJAARN COc1cc2c(cc1OC)n(Cc1cccc(Cl)c1)c(=O)n(Cc1ccc(C(=O)NCCC(C)C)cc1)c2=O ZINC000101832214 554841611 /nfs/dbraw/zinc/84/16/11/554841611.db2.gz ZGXNWSJHIQYWLK-UHFFFAOYSA-N 0 0 550.055 4.706 50 0 KJAARN COc1cc2c(cc1OC)n(Cc1ccc(Cl)cc1)c(=O)n(Cc1ccc(C(=O)NCCC(C)C)cc1)c2=O ZINC000101832238 554841658 /nfs/dbraw/zinc/84/16/58/554841658.db2.gz MQSOUNWJSXBGRF-UHFFFAOYSA-N 0 0 550.055 4.706 50 0 KJAARN COc1cc2c(cc1OC)n(Cc1ccccc1Cl)c(=O)n(Cc1ccc(C(=O)NCCC(C)C)cc1)c2=O ZINC000101832252 554841618 /nfs/dbraw/zinc/84/16/18/554841618.db2.gz KAJAHVZKBUOTBO-UHFFFAOYSA-N 0 0 550.055 4.706 50 0 KJAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccccc3)c3ccccc3)nn2C)C1 ZINC000101838746 554841961 /nfs/dbraw/zinc/84/19/61/554841961.db2.gz QOLDOGTWFVNYIX-UHFFFAOYSA-N 0 0 535.069 4.976 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2 ZINC000101838805 554842070 /nfs/dbraw/zinc/84/20/70/554842070.db2.gz KRTRTSKUDYFCOC-UHFFFAOYSA-N 0 0 540.689 4.893 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000101838813 554842097 /nfs/dbraw/zinc/84/20/97/554842097.db2.gz QMMGWFWOHHZUPZ-UHFFFAOYSA-N 0 0 527.071 4.729 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1cccc3cccnc31)C2 ZINC000101838844 554842132 /nfs/dbraw/zinc/84/21/32/554842132.db2.gz YYEJVRIESPYSRY-UHFFFAOYSA-N 0 0 537.645 4.562 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4)c4ccccc4)nn3C)C2)cc1Cl ZINC000101838914 554842125 /nfs/dbraw/zinc/84/21/25/554842125.db2.gz DBQWHXUFCISPOP-UHFFFAOYSA-N 0 0 535.069 4.976 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2F)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc3c(c1)CCC3)C2 ZINC000101838932 554842086 /nfs/dbraw/zinc/84/20/86/554842086.db2.gz FJXYJJGLWHGADV-UHFFFAOYSA-N 0 0 544.652 4.642 50 0 KJAARN Cc1cc(C)cc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4F)c4ccccc4)nn3C)C2)c1 ZINC000101838937 554842083 /nfs/dbraw/zinc/84/20/83/554842083.db2.gz CKTTUBMLKFBAPL-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccccc3F)c3ccccc3)nn2C)C1 ZINC000101838964 554842093 /nfs/dbraw/zinc/84/20/93/554842093.db2.gz GFCUYTSFBGDOIR-UHFFFAOYSA-N 0 0 536.604 4.601 50 0 KJAARN CCOc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4F)c4ccccc4)nn3C)C2)cc1 ZINC000101838969 554842104 /nfs/dbraw/zinc/84/21/04/554842104.db2.gz BSABBHMCPICDRS-UHFFFAOYSA-N 0 0 548.640 4.552 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2F)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000101838983 554842136 /nfs/dbraw/zinc/84/21/36/554842136.db2.gz WHOBBWBTVXHMLI-UHFFFAOYSA-N 0 0 539.032 4.807 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2F)c2ccccc2)c2c1CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000101838991 554842064 /nfs/dbraw/zinc/84/20/64/554842064.db2.gz PDGXRNKNUVZAMP-UHFFFAOYSA-N 0 0 539.032 4.807 50 0 KJAARN CCc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4F)c4ccccc4)nn3C)C2)cc1 ZINC000101838996 554842117 /nfs/dbraw/zinc/84/21/17/554842117.db2.gz LKSGZXVTOFTQLZ-UHFFFAOYSA-N 0 0 532.641 4.716 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4F)c4ccccc4)nn3C)C2)cc1C ZINC000101839014 554842128 /nfs/dbraw/zinc/84/21/28/554842128.db2.gz FFHKFYWPZRAWJJ-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4F)c4ccccc4)nn3C)C2)c(C)c1 ZINC000101839021 554842079 /nfs/dbraw/zinc/84/20/79/554842079.db2.gz NKONGBUBDUHRKB-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN Cc1cc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4F)c4ccccc4)nn3C)C2)ccc1F ZINC000101839033 554842139 /nfs/dbraw/zinc/84/21/39/554842139.db2.gz NERJYYPUHYKBHT-UHFFFAOYSA-N 0 0 536.604 4.601 50 0 KJAARN Cn1nc(CN(C(=O)c2ccccc2F)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000101839053 554842113 /nfs/dbraw/zinc/84/21/13/554842113.db2.gz ZYSZLBAITQGTCW-UHFFFAOYSA-N 0 0 539.032 4.807 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)Cc2ccccc2F)CC3)c2ccccc2)cc1 ZINC000101839097 554842313 /nfs/dbraw/zinc/84/23/13/554842313.db2.gz VMHPEOKLOMUBIB-UHFFFAOYSA-N 0 0 532.641 4.603 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccc4c(c2)CCC4)CC3)c2ccccc2)cc1 ZINC000101839110 554842350 /nfs/dbraw/zinc/84/23/50/554842350.db2.gz NBHALELIDDUMHF-UHFFFAOYSA-N 0 0 540.689 4.811 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccc(C)c(F)c2)CC3)c2ccccc2)cc1 ZINC000101839114 554842339 /nfs/dbraw/zinc/84/23/39/554842339.db2.gz MUJULLPNMWSOAL-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN CC(=O)c1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(C)cc4)c4ccccc4)nn3C)C2)cc1 ZINC000101839120 554842321 /nfs/dbraw/zinc/84/23/21/554842321.db2.gz PKFVVMZURGSPTE-UHFFFAOYSA-N 0 0 542.661 4.525 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccc(F)cc2F)CC3)c2ccccc2)cc1 ZINC000101839130 554842296 /nfs/dbraw/zinc/84/22/96/554842296.db2.gz RJEJTEFCONIEKX-UHFFFAOYSA-N 0 0 536.604 4.601 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2cc(F)ccc2F)CC3)c2ccccc2)cc1 ZINC000101839143 554842359 /nfs/dbraw/zinc/84/23/59/554842359.db2.gz KZCLFHKPCGXUFJ-UHFFFAOYSA-N 0 0 536.604 4.601 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2cc(F)ccc2C)CC3)c2ccccc2)cc1 ZINC000101839147 554842308 /nfs/dbraw/zinc/84/23/08/554842308.db2.gz XXAKPAGVOCJWBC-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN CCOc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(C)cc4)c4ccccc4)nn3C)C2)cc1 ZINC000101839154 554842353 /nfs/dbraw/zinc/84/23/53/554842353.db2.gz XVSPQRWQOSUFGK-UHFFFAOYSA-N 0 0 544.677 4.721 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccccc2Cl)CC3)c2ccccc2)cc1 ZINC000101839158 554842319 /nfs/dbraw/zinc/84/23/19/554842319.db2.gz UNYSMMDVZKRYTP-UHFFFAOYSA-N 0 0 535.069 4.976 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)c2ccccc2)cc1 ZINC000101839167 554842326 /nfs/dbraw/zinc/84/23/26/554842326.db2.gz JOMNEUNPIWYNOX-UHFFFAOYSA-N 0 0 535.069 4.976 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccc(F)c(C)c2)CC3)c2ccccc2)cc1 ZINC000101839201 554842335 /nfs/dbraw/zinc/84/23/35/554842335.db2.gz YDIJABFHCYGZMN-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN Cc1ccc(C(=O)N(Cc2nn(C)c3c2CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)c2ccccc2)cc1 ZINC000101839213 554842315 /nfs/dbraw/zinc/84/23/15/554842315.db2.gz NRPHHTIXVNBORQ-UHFFFAOYSA-N 0 0 535.069 4.976 50 0 KJAARN Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc3c(c1)CCC3)C2 ZINC000101839286 554842482 /nfs/dbraw/zinc/84/24/82/554842482.db2.gz OYJCHGCGINGRBH-UHFFFAOYSA-N 0 0 544.652 4.642 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)cc1F ZINC000101839294 554842535 /nfs/dbraw/zinc/84/25/35/554842535.db2.gz ZXIWKPIYUCZEGM-UHFFFAOYSA-N 0 0 536.604 4.601 50 0 KJAARN Cc1cc(C)cc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)c1 ZINC000101839300 554842525 /nfs/dbraw/zinc/84/25/25/554842525.db2.gz ZSOBDPKFDMWDJL-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccc(F)cc3)c3ccccc3)nn2C)C1 ZINC000101839344 554842495 /nfs/dbraw/zinc/84/24/95/554842495.db2.gz FGWFUAHGOCLSDI-UHFFFAOYSA-N 0 0 536.604 4.601 50 0 KJAARN CCOc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)cc1 ZINC000101839353 554842537 /nfs/dbraw/zinc/84/25/37/554842537.db2.gz SHGBOSORZDFWNG-UHFFFAOYSA-N 0 0 548.640 4.552 50 0 KJAARN Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000101839370 554842477 /nfs/dbraw/zinc/84/24/77/554842477.db2.gz LTUHBHQQJRURIL-UHFFFAOYSA-N 0 0 539.032 4.807 50 0 KJAARN Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000101839378 554842470 /nfs/dbraw/zinc/84/24/70/554842470.db2.gz MQBJZDNPGDNXEM-UHFFFAOYSA-N 0 0 539.032 4.807 50 0 KJAARN CCc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)cc1 ZINC000101839386 554842511 /nfs/dbraw/zinc/84/25/11/554842511.db2.gz NERDWZRFMUCTOM-UHFFFAOYSA-N 0 0 532.641 4.716 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)cc1C ZINC000101839413 554842515 /nfs/dbraw/zinc/84/25/15/554842515.db2.gz PNSUWQVBZGRZDM-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)c(C)c1 ZINC000101839421 554842473 /nfs/dbraw/zinc/84/24/73/554842473.db2.gz DIVNOPUVFROZIX-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000101839429 554842553 /nfs/dbraw/zinc/84/25/53/554842553.db2.gz CDGWPQBNGSPKRS-UHFFFAOYSA-N 0 0 545.061 4.868 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)c1 ZINC000101839441 554842521 /nfs/dbraw/zinc/84/25/21/554842521.db2.gz ZUVPXACFIOEWEF-UHFFFAOYSA-N 0 0 532.641 4.770 50 0 KJAARN Cc1cc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)ccc1F ZINC000101839457 554842579 /nfs/dbraw/zinc/84/25/79/554842579.db2.gz QEHBINGSFRWOKF-UHFFFAOYSA-N 0 0 536.604 4.601 50 0 KJAARN Cn1nc(CN(C(=O)c2ccc(F)cc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000101839479 554842822 /nfs/dbraw/zinc/84/28/22/554842822.db2.gz ZPMWPHOFDQFYNP-UHFFFAOYSA-N 0 0 539.032 4.807 50 0 KJAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(NCc3ccc(OC)cc3OC)cnc2n1CCc1ccccn1 ZINC000101842329 1066211287 /nfs/dbraw/zinc/21/12/87/1066211287.db2.gz HJVGJYJJVWDSRC-UHFFFAOYSA-N 0 0 543.624 4.829 50 0 KJAARN COc1ccc2cc(CN(CCc3ccc(F)cc3)C(=O)c3cc4c([nH]c3=O)CCCC4)c(N3CCOCC3)nc2c1 ZINC000101843094 1066211373 /nfs/dbraw/zinc/21/13/73/1066211373.db2.gz SOJJZTGMCCSSDF-UHFFFAOYSA-N 0 0 570.665 4.671 50 0 KJAARN COc1ccccc1CCN1C(=O)c2cccc(N3CCC(C(=O)N4CCN(c5ccccc5Cl)CC4)CC3)c2C1=O ZINC000101844200 554843252 /nfs/dbraw/zinc/84/32/52/554843252.db2.gz JGPHAQSNZKOTBN-UHFFFAOYSA-N 0 0 587.120 4.753 50 0 KJAARN 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O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C2CCC2)ccc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000101904647 554848403 /nfs/dbraw/zinc/84/84/03/554848403.db2.gz GMAZYNFHWLTZEZ-UHFFFAOYSA-N 0 0 546.618 4.986 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000101904712 554848387 /nfs/dbraw/zinc/84/83/87/554848387.db2.gz IAZFNBGNPWRUQM-UHFFFAOYSA-N 0 0 534.607 4.842 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000101905237 554848408 /nfs/dbraw/zinc/84/84/08/554848408.db2.gz ANPPRLFPHRUIOU-UHFFFAOYSA-N 0 0 534.607 4.842 50 0 KJAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)c3ccccc3F)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000101905337 554848419 /nfs/dbraw/zinc/84/84/19/554848419.db2.gz BEPREMNVGJFUGE-UHFFFAOYSA-N 0 0 534.607 4.842 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000101905865 554848581 /nfs/dbraw/zinc/84/85/81/554848581.db2.gz CQTLXHCXJVUMCS-UHFFFAOYSA-N 0 0 546.618 4.986 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCN(C(=O)C2CCCC2)CC1 ZINC000101905909 554848573 /nfs/dbraw/zinc/84/85/73/554848573.db2.gz NISIRECGOOMZGX-UHFFFAOYSA-N 0 0 546.618 4.986 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000101906121 554848761 /nfs/dbraw/zinc/84/87/61/554848761.db2.gz DBOHENXKSIHNOG-UHFFFAOYSA-N 0 0 534.607 4.842 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C2CCC2)ccc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000101906141 554848759 /nfs/dbraw/zinc/84/87/59/554848759.db2.gz AJJRXSMGGCRZDD-UHFFFAOYSA-N 0 0 532.591 4.596 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000101906347 554848756 /nfs/dbraw/zinc/84/87/56/554848756.db2.gz RJVVZOWQLRGDPI-UHFFFAOYSA-N 0 0 534.607 4.842 50 0 KJAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000101906435 554848805 /nfs/dbraw/zinc/84/88/05/554848805.db2.gz UQDDXZMKKZXMGO-UHFFFAOYSA-N 0 0 534.607 4.842 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C2CCCC2)ccc1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000101906452 554848772 /nfs/dbraw/zinc/84/87/72/554848772.db2.gz UGGNZVGDHJSHTI-UHFFFAOYSA-N 0 0 546.618 4.986 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1)c1cccs1 ZINC000101906553 554848776 /nfs/dbraw/zinc/84/87/76/554848776.db2.gz SQNMDKXVXFCFMD-UHFFFAOYSA-N 0 0 534.657 4.908 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCN(C(=O)C2CC2)CC1 ZINC000101906562 554849033 /nfs/dbraw/zinc/84/90/33/554849033.db2.gz LISDPTRHVRTAJK-UHFFFAOYSA-N 0 0 535.019 4.720 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000101906570 554849047 /nfs/dbraw/zinc/84/90/47/554849047.db2.gz HTDPDUBMNFRFQF-UHFFFAOYSA-N 0 0 534.607 4.842 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C2CCCC2)ccc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000101906596 554849071 /nfs/dbraw/zinc/84/90/71/554849071.db2.gz STGZOIXQUXPLKH-UHFFFAOYSA-N 0 0 546.618 4.986 50 0 KJAARN Cc1ccc(CNC(=O)COC(=O)CCc2nc3cc(C(F)(F)F)ccc3n(Cc3ccccc3)c2=O)cc1 ZINC000101906661 554849081 /nfs/dbraw/zinc/84/90/81/554849081.db2.gz WVDORWLNNYOGPW-UHFFFAOYSA-N 0 0 537.538 4.564 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000101908225 554849069 /nfs/dbraw/zinc/84/90/69/554849069.db2.gz GKHDDZOVAIUXHP-AREMUKBSSA-N 0 0 521.639 4.894 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000101908228 554849073 /nfs/dbraw/zinc/84/90/73/554849073.db2.gz GKHDDZOVAIUXHP-SANMLTNESA-N 0 0 521.639 4.894 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@@H]1c1cc(OC)ccc1OC ZINC000101908233 554849080 /nfs/dbraw/zinc/84/90/80/554849080.db2.gz LJPNWKGUOZFTPO-AREMUKBSSA-N 0 0 521.639 4.894 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@H]1c1cc(OC)ccc1OC ZINC000101908236 554849062 /nfs/dbraw/zinc/84/90/62/554849062.db2.gz LJPNWKGUOZFTPO-SANMLTNESA-N 0 0 521.639 4.894 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101908242 554849040 /nfs/dbraw/zinc/84/90/40/554849040.db2.gz OFJGMOGTRHLOEY-AREMUKBSSA-N 0 0 521.639 4.894 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000101908244 554849255 /nfs/dbraw/zinc/84/92/55/554849255.db2.gz OFJGMOGTRHLOEY-SANMLTNESA-N 0 0 521.639 4.894 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@@H]1c1ccc(OC)cc1OC ZINC000101908248 554849122 /nfs/dbraw/zinc/84/91/22/554849122.db2.gz XDNTXMDIJOOTMX-AREMUKBSSA-N 0 0 521.639 4.894 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@H]1c1ccc(OC)cc1OC ZINC000101908252 554849150 /nfs/dbraw/zinc/84/91/50/554849150.db2.gz XDNTXMDIJOOTMX-SANMLTNESA-N 0 0 521.639 4.894 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@@H]1c1cccc(OC)c1OC ZINC000101908256 554849188 /nfs/dbraw/zinc/84/91/88/554849188.db2.gz WSLIUHIKZLBLHI-RUZDIDTESA-N 0 0 521.639 4.894 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NC(C)C)N2[C@H]1c1cccc(OC)c1OC ZINC000101908261 554849251 /nfs/dbraw/zinc/84/92/51/554849251.db2.gz WSLIUHIKZLBLHI-VWLOTQADSA-N 0 0 521.639 4.894 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NCc3ccc(F)cc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101909251 554849165 /nfs/dbraw/zinc/84/91/65/554849165.db2.gz QXOWOVVPGVFQNB-URXFXBBRSA-N 0 0 546.565 4.758 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NCc3ccc(F)cc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101909254 554849266 /nfs/dbraw/zinc/84/92/66/554849266.db2.gz QXOWOVVPGVFQNB-XUZZJYLKSA-N 0 0 546.565 4.758 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NCc3ccc(F)cc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101909259 554849208 /nfs/dbraw/zinc/84/92/08/554849208.db2.gz QXOWOVVPGVFQNB-QPPBQGQZSA-N 0 0 546.565 4.758 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NCc3ccc(F)cc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101909262 554849236 /nfs/dbraw/zinc/84/92/36/554849236.db2.gz QXOWOVVPGVFQNB-ZJSXRUAMSA-N 0 0 546.565 4.758 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCc3cccc(F)c3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000101909344 554849259 /nfs/dbraw/zinc/84/92/59/554849259.db2.gz POICLUSOSBTNIS-IGKIAQTJSA-N 0 0 547.030 4.589 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCc3cccc(F)c3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000101909348 554849146 /nfs/dbraw/zinc/84/91/46/554849146.db2.gz POICLUSOSBTNIS-RPLLCQBOSA-N 0 0 547.030 4.589 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCc3cccc(F)c3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000101909351 554849192 /nfs/dbraw/zinc/84/91/92/554849192.db2.gz POICLUSOSBTNIS-SQHAQQRYSA-N 0 0 547.030 4.589 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCc3cccc(F)c3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000101909355 554849492 /nfs/dbraw/zinc/84/94/92/554849492.db2.gz POICLUSOSBTNIS-SHQCIBLASA-N 0 0 547.030 4.589 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCc3cccs3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000101909373 554849421 /nfs/dbraw/zinc/84/94/21/554849421.db2.gz FLBDUDIIWJQCBA-OZXSUGGESA-N 0 0 549.096 4.554 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCc3cccs3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000101909378 554849486 /nfs/dbraw/zinc/84/94/86/554849486.db2.gz FLBDUDIIWJQCBA-JYFHCDHNSA-N 0 0 549.096 4.554 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCc3cccs3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000101909382 554849462 /nfs/dbraw/zinc/84/94/62/554849462.db2.gz FLBDUDIIWJQCBA-BVAGGSTKSA-N 0 0 549.096 4.554 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCc3cccs3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000101909387 554849509 /nfs/dbraw/zinc/84/95/09/554849509.db2.gz FLBDUDIIWJQCBA-ZEQKJWHPSA-N 0 0 549.096 4.554 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCc3ccc(F)cc3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000101911055 554849758 /nfs/dbraw/zinc/84/97/58/554849758.db2.gz WTHRCAWIDWGVEF-WNJJXGMVSA-N 0 0 540.639 4.553 50 0 KJAARN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCc3ccc(F)cc3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000101911057 554849716 /nfs/dbraw/zinc/84/97/16/554849716.db2.gz WTHRCAWIDWGVEF-LITSAYRRSA-N 0 0 540.639 4.553 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCc3ccc(F)cc3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000101911061 554849696 /nfs/dbraw/zinc/84/96/96/554849696.db2.gz WTHRCAWIDWGVEF-UHSQPCAPSA-N 0 0 540.639 4.553 50 0 KJAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCc3ccc(F)cc3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000101911064 554849700 /nfs/dbraw/zinc/84/97/00/554849700.db2.gz WTHRCAWIDWGVEF-GGXMVOPNSA-N 0 0 540.639 4.553 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC(C)C)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101911122 554849753 /nfs/dbraw/zinc/84/97/53/554849753.db2.gz CXPYBGSBJYZESY-IBGZPJMESA-N 0 0 530.565 4.581 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)NC(C)C)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101911126 554849682 /nfs/dbraw/zinc/84/96/82/554849682.db2.gz CXPYBGSBJYZESY-LJQANCHMSA-N 0 0 530.565 4.581 50 0 KJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000101911130 554849749 /nfs/dbraw/zinc/84/97/49/554849749.db2.gz FIDHLUHSZBMVDT-KRWDZBQOSA-N 0 0 531.458 4.869 50 0 KJAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)NC(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000101911134 554849762 /nfs/dbraw/zinc/84/97/62/554849762.db2.gz FIDHLUHSZBMVDT-QGZVFWFLSA-N 0 0 531.458 4.869 50 0 KJAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cc(C)cc(C)c2)CC1 ZINC000101916084 554850119 /nfs/dbraw/zinc/85/01/19/554850119.db2.gz YEGJJFZBFXUQRQ-UHFFFAOYSA-N 0 0 533.032 4.827 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)NCCc3ccccc3)nc3ccc(Cl)cc3c2=O)cc1 ZINC000101916099 554850129 /nfs/dbraw/zinc/85/01/29/554850129.db2.gz BGAXKKRUFDZLFF-UHFFFAOYSA-N 0 0 549.096 4.687 50 0 KJAARN O=C(Nc1ccc(Br)cc1F)N1CCN(Cc2nc3cccnc3n2-c2cccc(F)c2)CC1 ZINC000101916102 554850108 /nfs/dbraw/zinc/85/01/08/554850108.db2.gz UJQMNHLJIVHVAC-UHFFFAOYSA-N 0 0 527.373 4.811 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccccc3)nc3ccc(Cl)cc3c2=O)cc1 ZINC000101916105 554850117 /nfs/dbraw/zinc/85/01/17/554850117.db2.gz JUIZRAVFAZBAFB-UHFFFAOYSA-N 0 0 535.069 4.645 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 ZINC000101916160 554850103 /nfs/dbraw/zinc/85/01/03/554850103.db2.gz IGONEJRGRJNATN-UHFFFAOYSA-N 0 0 535.069 4.645 50 0 KJAARN CC(C)NC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccccc3Cl)nc3ccccc3c2=O)cc1 ZINC000101916173 554850136 /nfs/dbraw/zinc/85/01/36/554850136.db2.gz CZAKPIMMDGAAMK-UHFFFAOYSA-N 0 0 535.069 4.645 50 0 KJAARN COc1cc(NC(=O)N2CCC3(CC2)Oc2ccccc2C(=O)N3Cc2ccc(F)cc2)cc(OC)c1OC ZINC000101916620 554850673 /nfs/dbraw/zinc/85/06/73/554850673.db2.gz MTEWFZHJVYRLAT-UHFFFAOYSA-N 0 0 535.572 4.911 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c4ccccc4oc3C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000101917195 554850572 /nfs/dbraw/zinc/85/05/72/554850572.db2.gz IYFHQDUESBTBKR-UHFFFAOYSA-N 0 0 604.704 4.882 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000101917364 554850569 /nfs/dbraw/zinc/85/05/69/554850569.db2.gz FLBLJVDXBHAQEE-UHFFFAOYSA-N 0 0 545.592 4.682 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000101917399 554850618 /nfs/dbraw/zinc/85/06/18/554850618.db2.gz PSJBIPFGGXUAQR-UHFFFAOYSA-N 0 0 616.740 4.752 50 0 KJAARN COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)c1 ZINC000101917421 554850643 /nfs/dbraw/zinc/85/06/43/554850643.db2.gz HFRONHGFSILQIG-UHFFFAOYSA-N 0 0 616.740 4.752 50 0 KJAARN Cc1ccc(C)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCc4ccccn4)N32)c1 ZINC000101920071 554851354 /nfs/dbraw/zinc/85/13/54/554851354.db2.gz SAOKJTCWHUSOJK-AREMUKBSSA-N 0 0 504.656 4.974 50 0 KJAARN Cc1ccc(C)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCc4ccccn4)N32)c1 ZINC000101920072 554851349 /nfs/dbraw/zinc/85/13/49/554851349.db2.gz SAOKJTCWHUSOJK-SANMLTNESA-N 0 0 504.656 4.974 50 0 KJAARN Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCc4ccccn4)N32)c(C)c1 ZINC000101920294 554851316 /nfs/dbraw/zinc/85/13/16/554851316.db2.gz VWYYBFSUQVXAII-AREMUKBSSA-N 0 0 504.656 4.974 50 0 KJAARN Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCc4ccccn4)N32)c(C)c1 ZINC000101920297 554851357 /nfs/dbraw/zinc/85/13/57/554851357.db2.gz VWYYBFSUQVXAII-SANMLTNESA-N 0 0 504.656 4.974 50 0 KJAARN CCOC(=O)C1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccccc4C)N23)CC1 ZINC000101920429 554851616 /nfs/dbraw/zinc/85/16/16/554851616.db2.gz OWIAYSHSALGAGK-VWLOTQADSA-N 0 0 525.671 4.713 50 0 KJAARN CCOC(=O)C1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccccc4C)N23)CC1 ZINC000101920435 554851642 /nfs/dbraw/zinc/85/16/42/554851642.db2.gz OWIAYSHSALGAGK-RUZDIDTESA-N 0 0 525.671 4.713 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccccc4C)N23)C1 ZINC000101920442 554851631 /nfs/dbraw/zinc/85/16/31/554851631.db2.gz ANMRPZYFMNAKFE-NLFFAJNJSA-N 0 0 525.671 4.713 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccccc4C)N23)C1 ZINC000101920446 554851614 /nfs/dbraw/zinc/85/16/14/554851614.db2.gz ANMRPZYFMNAKFE-CPJSRVTESA-N 0 0 525.671 4.713 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccccc4C)N23)C1 ZINC000101920449 554851620 /nfs/dbraw/zinc/85/16/20/554851620.db2.gz ANMRPZYFMNAKFE-CJFMBICVSA-N 0 0 525.671 4.713 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccccc4C)N23)C1 ZINC000101920454 554851583 /nfs/dbraw/zinc/85/15/83/554851583.db2.gz ANMRPZYFMNAKFE-NBGIEHNGSA-N 0 0 525.671 4.713 50 0 KJAARN Cc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NCc3ccc4c(c3)OCO4)N21 ZINC000101920460 554851608 /nfs/dbraw/zinc/85/16/08/554851608.db2.gz MIKDBLQTLSCRIK-AREMUKBSSA-N 0 0 519.623 4.957 50 0 KJAARN Cc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NCc3ccc4c(c3)OCO4)N21 ZINC000101920463 554851644 /nfs/dbraw/zinc/85/16/44/554851644.db2.gz MIKDBLQTLSCRIK-SANMLTNESA-N 0 0 519.623 4.957 50 0 KJAARN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C(F)(F)F)N=C2SC=C(CC(=O)NCc3ccncc3)N21 ZINC000101920572 554851594 /nfs/dbraw/zinc/85/15/94/554851594.db2.gz GONAXICYIMKJOJ-JOCHJYFZSA-N 0 0 546.571 4.866 50 0 KJAARN COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C(F)(F)F)N=C2SC=C(CC(=O)NCc3ccncc3)N21 ZINC000101920574 554851618 /nfs/dbraw/zinc/85/16/18/554851618.db2.gz GONAXICYIMKJOJ-QFIPXVFZSA-N 0 0 546.571 4.866 50 0 KJAARN O=C1NCCCC[C@@H]1N(Cc1ccc(OCc2ccccn2)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101931069 1066211943 /nfs/dbraw/zinc/21/19/43/1066211943.db2.gz WZMSSYBVZHFWQV-DEOSSOPVSA-N 0 0 533.572 4.539 50 0 KJAARN O=C1NCCCC[C@@H]1N(Cc1ccc(OCc2ccccn2)cc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000101934784 1066212025 /nfs/dbraw/zinc/21/20/25/1066212025.db2.gz WFQKEZHLJZMIKM-QHCPKHFHSA-N 0 0 533.572 4.539 50 0 KJAARN O=C(COc1ccc(-c2csc3ccccc32)cc1CN1CCN(c2ccccn2)CC1)N1CCC[C@H](CO)C1 ZINC000101935852 554852062 /nfs/dbraw/zinc/85/20/62/554852062.db2.gz YJQBEPAGHBUBHQ-DEOSSOPVSA-N 0 0 556.732 4.895 50 0 KJAARN O=C(COc1ccc(-c2csc3ccccc32)cc1CN1CCN(c2ccccn2)CC1)N1CCC[C@@H](CO)C1 ZINC000101935861 554851983 /nfs/dbraw/zinc/85/19/83/554851983.db2.gz YJQBEPAGHBUBHQ-XMMPIXPASA-N 0 0 556.732 4.895 50 0 KJAARN COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CCOc2c(cc(-c3cc(Cl)ccc3OC)cc2OC)C1 ZINC000101939089 1066212040 /nfs/dbraw/zinc/21/20/40/1066212040.db2.gz ATJVJYWSOHRBBW-QFIPXVFZSA-N 0 0 522.985 4.880 50 0 KJAARN Cc1cc(Oc2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)ccc1F ZINC000101945696 554852640 /nfs/dbraw/zinc/85/26/40/554852640.db2.gz QQRYRENFRBQOSC-UHFFFAOYSA-N 0 0 529.538 4.686 50 0 KJAARN CN1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000101945878 554852612 /nfs/dbraw/zinc/85/26/12/554852612.db2.gz NTCOJYFCXWLULS-UHFFFAOYSA-N 0 0 533.501 4.516 50 0 KJAARN CN1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)CC1 ZINC000101946466 554852617 /nfs/dbraw/zinc/85/26/17/554852617.db2.gz MHJAITOMEDLYNH-UHFFFAOYSA-N 0 0 533.501 4.516 50 0 KJAARN CN1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)CC1 ZINC000101946685 554852561 /nfs/dbraw/zinc/85/25/61/554852561.db2.gz MIYVLCTWDBMAIX-UHFFFAOYSA-N 0 0 534.394 4.804 50 0 KJAARN Cc1cc(Oc2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)ccc1F ZINC000101947928 554852566 /nfs/dbraw/zinc/85/25/66/554852566.db2.gz HPYOKMWEVGZVIB-UHFFFAOYSA-N 0 0 529.538 4.686 50 0 KJAARN COc1cccc(CNC(=O)CN2c3ccccc3N=C(c3ccc(Br)s3)CC2=O)c1OC ZINC000101948133 554852899 /nfs/dbraw/zinc/85/28/99/554852899.db2.gz XVBMPTVEWCLULC-UHFFFAOYSA-N 0 0 528.428 4.702 50 0 KJAARN O=C(CN1c2ccccc2N=C(c2ccc(Br)s2)CC1=O)Nc1ccc2c(c1)OCCO2 ZINC000101948235 554852907 /nfs/dbraw/zinc/85/29/07/554852907.db2.gz ZMVGZFRISDAFGK-UHFFFAOYSA-N 0 0 512.385 4.778 50 0 KJAARN COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000101948270 554852872 /nfs/dbraw/zinc/85/28/72/554852872.db2.gz QJHKAATZGJDDCG-ZSJKCPIUSA-N 0 0 622.484 4.646 50 0 KJAARN COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(O)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000101948278 554852890 /nfs/dbraw/zinc/85/28/90/554852890.db2.gz QJHKAATZGJDDCG-QARYAGPDSA-N 0 0 622.484 4.646 50 0 KJAARN CN1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)CC1 ZINC000101948343 554852924 /nfs/dbraw/zinc/85/29/24/554852924.db2.gz HCBBWRYNPVJROZ-UHFFFAOYSA-N 0 0 534.394 4.804 50 0 KJAARN CN1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)CC1 ZINC000101948395 554852859 /nfs/dbraw/zinc/85/28/59/554852859.db2.gz ODKHLGUCTVMBCH-UHFFFAOYSA-N 0 0 533.501 4.516 50 0 KJAARN CN1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000101948413 554852852 /nfs/dbraw/zinc/85/28/52/554852852.db2.gz RBRZPTKNLCSHAZ-UHFFFAOYSA-N 0 0 533.501 4.516 50 0 KJAARN COc1ccc(CCn2cnc3c4cc(F)ccc4n(Cc4ccc(N5CCCC5=O)cc4)c3c2=O)cc1OC ZINC000101948574 554852898 /nfs/dbraw/zinc/85/28/98/554852898.db2.gz CGFHZCDKPRCPMD-UHFFFAOYSA-N 0 0 540.595 4.925 50 0 KJAARN Cc1nc(SCc2ccc(C(=O)N3CCOCC3)cc2)nc(N2CCN(c3ccccc3Cl)CC2)c1C ZINC000101954558 554853115 /nfs/dbraw/zinc/85/31/15/554853115.db2.gz SMTUOBORJJNXED-UHFFFAOYSA-N 0 0 538.117 4.838 50 0 KJAARN COC(C)(C)CN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N(C)[C@H](C)c4cc(-c5ccccc5)n[nH]4)C3)c2C1=O ZINC000101958313 554853347 /nfs/dbraw/zinc/85/33/47/554853347.db2.gz CNACAMIEHQLFKY-IFMALSPDSA-N 0 0 543.668 4.534 50 0 KJAARN COC(C)(C)CN1C(=O)c2cccc(N3CCC[C@H](C(=O)N(C)[C@H](C)c4cc(-c5ccccc5)n[nH]4)C3)c2C1=O ZINC000101958317 554853321 /nfs/dbraw/zinc/85/33/21/554853321.db2.gz CNACAMIEHQLFKY-IRLDBZIGSA-N 0 0 543.668 4.534 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101958504 554853313 /nfs/dbraw/zinc/85/33/13/554853313.db2.gz NIPUPSVMESGDDN-DHLKQENFSA-N 0 0 528.590 4.602 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101958507 554853340 /nfs/dbraw/zinc/85/33/40/554853340.db2.gz NIPUPSVMESGDDN-RDGATRHJSA-N 0 0 528.590 4.602 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101958511 554853323 /nfs/dbraw/zinc/85/33/23/554853323.db2.gz NIPUPSVMESGDDN-WIOPSUGQSA-N 0 0 528.590 4.602 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101958514 554853295 /nfs/dbraw/zinc/85/32/95/554853295.db2.gz NIPUPSVMESGDDN-RCZVLFRGSA-N 0 0 528.590 4.602 50 0 KJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@H](C)O)OCO5)c3N2)cc1OC ZINC000101960519 554853625 /nfs/dbraw/zinc/85/36/25/554853625.db2.gz UNQLKEWKYSJNIF-IEBOFQNGSA-N 0 0 534.491 4.595 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(F)cc2F)C3=O)cc1 ZINC000101963544 554853609 /nfs/dbraw/zinc/85/36/09/554853609.db2.gz ALGMFGVXFQXEJX-GDLZYMKVSA-N 0 0 532.547 4.581 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(c2ccc(F)cc2F)C3=O)cc1 ZINC000101963548 554853581 /nfs/dbraw/zinc/85/35/81/554853581.db2.gz ALGMFGVXFQXEJX-LJAQVGFWSA-N 0 0 532.547 4.581 50 0 KJAARN CCOc1ccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000101963573 554853616 /nfs/dbraw/zinc/85/36/16/554853616.db2.gz CFVOOTMDDHQZRT-HKBQPEDESA-N 0 0 540.620 4.702 50 0 KJAARN CCOc1ccc(N2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000101963576 554853611 /nfs/dbraw/zinc/85/36/11/554853611.db2.gz CFVOOTMDDHQZRT-WJOKGBTCSA-N 0 0 540.620 4.702 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2OC)N(CCCc2ccccc2)C3=O)cc1 ZINC000101963582 554853544 /nfs/dbraw/zinc/85/35/44/554853544.db2.gz IIMZUJVOQXPKLS-JGCGQSQUSA-N 0 0 538.648 4.731 50 0 KJAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2OC)N(CCCc2ccccc2)C3=O)cc1 ZINC000101963585 554853718 /nfs/dbraw/zinc/85/37/18/554853718.db2.gz IIMZUJVOQXPKLS-YTTGMZPUSA-N 0 0 538.648 4.731 50 0 KJAARN CCc1ccc(CN2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000101963678 554853702 /nfs/dbraw/zinc/85/37/02/554853702.db2.gz BVJMBTHLWNKJOD-YTTGMZPUSA-N 0 0 538.648 4.861 50 0 KJAARN CCc1ccc(CN2C(=O)c3cc(-c4ccc(OC)cc4)nn3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000101963682 554853740 /nfs/dbraw/zinc/85/37/40/554853740.db2.gz BVJMBTHLWNKJOD-JGCGQSQUSA-N 0 0 538.648 4.861 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)c12 ZINC000101963847 554853721 /nfs/dbraw/zinc/85/37/21/554853721.db2.gz IFROKVDPPAJIDK-UHFFFAOYSA-N 0 0 526.574 4.659 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccc(C(C)C)cc5)n4)c(=O)n23)C1 ZINC000101969838 554855957 /nfs/dbraw/zinc/85/59/57/554855957.db2.gz NOCDTUIEKBOEGQ-JOCHJYFZSA-N 0 0 561.708 4.693 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccc(C(C)C)cc5)n4)c(=O)n23)C1 ZINC000101969842 554855986 /nfs/dbraw/zinc/85/59/86/554855986.db2.gz NOCDTUIEKBOEGQ-QFIPXVFZSA-N 0 0 561.708 4.693 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(OC)cc3)nc2O)cc1 ZINC000101969904 554856276 /nfs/dbraw/zinc/85/62/76/554856276.db2.gz ADAUXGJMQUAZOM-UIOOFZCWSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(OC)cc3)nc2O)cc1 ZINC000101969908 554856165 /nfs/dbraw/zinc/85/61/65/554856165.db2.gz ADAUXGJMQUAZOM-FTJBHMTQSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(OC)cc3)nc2O)cc1 ZINC000101969913 554856284 /nfs/dbraw/zinc/85/62/84/554856284.db2.gz ADAUXGJMQUAZOM-IZZNHLLZSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(OC)cc3)nc2O)cc1 ZINC000101969916 554856117 /nfs/dbraw/zinc/85/61/17/554856117.db2.gz ADAUXGJMQUAZOM-CLJLJLNGSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969952 554856268 /nfs/dbraw/zinc/85/62/68/554856268.db2.gz PCHVGGCUFZVCPM-UIOOFZCWSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969955 554856128 /nfs/dbraw/zinc/85/61/28/554856128.db2.gz PCHVGGCUFZVCPM-FTJBHMTQSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969958 554856210 /nfs/dbraw/zinc/85/62/10/554856210.db2.gz PCHVGGCUFZVCPM-IZZNHLLZSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969961 554856191 /nfs/dbraw/zinc/85/61/91/554856191.db2.gz PCHVGGCUFZVCPM-CLJLJLNGSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972673 554861034 /nfs/dbraw/zinc/86/10/34/554861034.db2.gz QODICRJGZKULRM-OZXSUGGESA-N 0 0 542.617 4.910 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972678 554861076 /nfs/dbraw/zinc/86/10/76/554861076.db2.gz QODICRJGZKULRM-BVAGGSTKSA-N 0 0 542.617 4.910 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972682 554860942 /nfs/dbraw/zinc/86/09/42/554860942.db2.gz QODICRJGZKULRM-JYFHCDHNSA-N 0 0 542.617 4.910 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972686 554861051 /nfs/dbraw/zinc/86/10/51/554861051.db2.gz QODICRJGZKULRM-ZEQKJWHPSA-N 0 0 542.617 4.910 50 0 KJAARN COc1ccc(CN2C(=O)c3cccc(N4CCC(C(=O)N5CCCC[C@@H]5c5cccnc5)CC4)c3C2=O)c(OC)c1 ZINC000101973043 554861577 /nfs/dbraw/zinc/86/15/77/554861577.db2.gz SVQPZEXGIJMLJZ-HHHXNRCGSA-N 0 0 568.674 4.865 50 0 KJAARN COc1ccc(CN2C(=O)c3cccc(N4CCC(C(=O)N5CCCC[C@H]5c5cccnc5)CC4)c3C2=O)c(OC)c1 ZINC000101973047 554861573 /nfs/dbraw/zinc/86/15/73/554861573.db2.gz SVQPZEXGIJMLJZ-MHZLTWQESA-N 0 0 568.674 4.865 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101973426 554862320 /nfs/dbraw/zinc/86/23/20/554862320.db2.gz CDWNFIVQTQSKCR-OZXSUGGESA-N 0 0 542.617 4.910 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101973432 554862332 /nfs/dbraw/zinc/86/23/32/554862332.db2.gz CDWNFIVQTQSKCR-BVAGGSTKSA-N 0 0 542.617 4.910 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101973434 554862293 /nfs/dbraw/zinc/86/22/93/554862293.db2.gz CDWNFIVQTQSKCR-JYFHCDHNSA-N 0 0 542.617 4.910 50 0 KJAARN COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101973440 554862370 /nfs/dbraw/zinc/86/23/70/554862370.db2.gz CDWNFIVQTQSKCR-ZEQKJWHPSA-N 0 0 542.617 4.910 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4cccc(OC)c4)C[C@H]3c3ccc(OC)cc3)nc2O)cc1 ZINC000101973542 554862564 /nfs/dbraw/zinc/86/25/64/554862564.db2.gz CRFDREDRGWFGKX-UIOOFZCWSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4cccc(OC)c4)C[C@@H]3c3ccc(OC)cc3)nc2O)cc1 ZINC000101973545 554862634 /nfs/dbraw/zinc/86/26/34/554862634.db2.gz CRFDREDRGWFGKX-FTJBHMTQSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4cccc(OC)c4)C[C@H]3c3ccc(OC)cc3)nc2O)cc1 ZINC000101973549 554862687 /nfs/dbraw/zinc/86/26/87/554862687.db2.gz CRFDREDRGWFGKX-IZZNHLLZSA-N 0 0 544.633 4.890 50 0 KJAARN COc1ccc(NC(=O)Cc2sc(N3N=C(c4cccc(OC)c4)C[C@@H]3c3ccc(OC)cc3)nc2O)cc1 ZINC000101973554 554862696 /nfs/dbraw/zinc/86/26/96/554862696.db2.gz CRFDREDRGWFGKX-CLJLJLNGSA-N 0 0 544.633 4.890 50 0 KJAARN C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000101983886 554863901 /nfs/dbraw/zinc/86/39/01/554863901.db2.gz VFZCGTMHQIXLSI-MOPGFXCFSA-N 0 0 541.048 4.634 50 0 KJAARN C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000101983889 554863882 /nfs/dbraw/zinc/86/38/82/554863882.db2.gz VFZCGTMHQIXLSI-OALUTQOASA-N 0 0 541.048 4.634 50 0 KJAARN CCOC(=O)C1C(Nc2ccccc2)=C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 ZINC000101993615 554864152 /nfs/dbraw/zinc/86/41/52/554864152.db2.gz HWJSXQRKMJTQQU-KJWPAHLWSA-N 0 0 502.405 4.796 50 0 KJAARN COCC(=O)Nc1c2cc(NCc3cccc(OC)c3OC)cnc2n(CCCc2ccccc2)c1C(=O)OC ZINC000101994912 1066217423 /nfs/dbraw/zinc/21/74/23/1066217423.db2.gz FPFJGBRESOTOCA-UHFFFAOYSA-N 0 0 546.624 4.670 50 0 KJAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)CC(C)C)cc1C ZINC000101997723 554865592 /nfs/dbraw/zinc/86/55/92/554865592.db2.gz BEBGKWISRARKDR-UHFFFAOYSA-N 0 0 552.119 4.955 50 0 KJAARN CC(C)CC(=O)N(CC(=O)Nc1cc(N2CCN(C(=O)NC(C)C)CC2)ccc1Cl)Cc1ccc(F)cc1 ZINC000101998010 554865609 /nfs/dbraw/zinc/86/56/09/554865609.db2.gz MSIUPWWETZLMDH-UHFFFAOYSA-N 0 0 546.087 4.733 50 0 KJAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000101998692 1066217336 /nfs/dbraw/zinc/21/73/36/1066217336.db2.gz ICTWNWTXAVZVJT-UHFFFAOYSA-N 0 0 590.668 4.530 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSC1=N/C(=C/c3cnn(C)c3)C(=O)N1c1ccccc1)C[C@@H](C)CC2 ZINC000102000280 554865870 /nfs/dbraw/zinc/86/58/70/554865870.db2.gz SHSNTRAFTQLMPS-RSZPVBOMSA-N 0 0 563.705 4.899 50 0 KJAARN COc1ccc(-c2nc3c(c(SCC(=O)Nc4cccc(OC)c4)n2)Cc2c(CO)cnc(C)c2O3)cc1 ZINC000102000875 554865856 /nfs/dbraw/zinc/86/58/56/554865856.db2.gz HVFWZTNFZUAOIE-UHFFFAOYSA-N 0 0 530.606 4.784 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSC1=N/C(=C/c2cn(C)nc2C)C(=O)N1CCCOC ZINC000102000930 554865860 /nfs/dbraw/zinc/86/58/60/554865860.db2.gz ULXVLAPZIDYJCX-HYARGMPZSA-N 0 0 581.720 4.581 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCN(C(=O)CC(C)C)CC3)c(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000102001182 554865932 /nfs/dbraw/zinc/86/59/32/554865932.db2.gz RBHCUTOFLHULQZ-UHFFFAOYSA-N 0 0 580.726 4.950 50 0 KJAARN COc1cccc(N2CCN(C(=O)COc3ccc(-c4cc(C)nc5ccccc54)cc3CN3CCOCC3)CC2)c1 ZINC000102001974 554866239 /nfs/dbraw/zinc/86/62/39/554866239.db2.gz BPCRPTGLRLCSKJ-UHFFFAOYSA-N 0 0 566.702 4.779 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)c3cccc(F)c3)cc2)CC1 ZINC000102002053 554866160 /nfs/dbraw/zinc/86/61/60/554866160.db2.gz WPFYCBLMEGDUKL-UHFFFAOYSA-N 0 0 548.634 4.941 50 0 KJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)c3ccccc3F)cc2)CC1 ZINC000102002057 554866216 /nfs/dbraw/zinc/86/62/16/554866216.db2.gz PRHDMFCEECBSPB-UHFFFAOYSA-N 0 0 548.634 4.941 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCOC2)c2cc(N[C@@H](C)CCn3cccn3)cnc2n1CCCc1ccccc1 ZINC000102004464 554866712 /nfs/dbraw/zinc/86/67/12/554866712.db2.gz ZPHZCFXLPAMOKD-JTHBVZDNSA-N 0 0 544.656 4.518 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCOC2)c2cc(N[C@H](C)CCn3cccn3)cnc2n1CCCc1ccccc1 ZINC000102004465 554866656 /nfs/dbraw/zinc/86/66/56/554866656.db2.gz ZPHZCFXLPAMOKD-FYYLOGMGSA-N 0 0 544.656 4.518 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(N[C@@H](C)CCn3cccn3)cnc2n1CCCc1ccccc1 ZINC000102004472 554866738 /nfs/dbraw/zinc/86/67/38/554866738.db2.gz ZPHZCFXLPAMOKD-GMAHTHKFSA-N 0 0 544.656 4.518 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(N[C@H](C)CCn3cccn3)cnc2n1CCCc1ccccc1 ZINC000102004478 554866668 /nfs/dbraw/zinc/86/66/68/554866668.db2.gz ZPHZCFXLPAMOKD-GGAORHGYSA-N 0 0 544.656 4.518 50 0 KJAARN O=S(=O)(c1nnn2c3ccsc3c(NCc3ccc(F)cc3)nc12)c1ccc(Br)cc1 ZINC000102004860 554866701 /nfs/dbraw/zinc/86/67/01/554866701.db2.gz HDEYQAUSMYLHMX-UHFFFAOYSA-N 0 0 518.393 4.686 50 0 KJAARN COc1ccccc1Nc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccsc21 ZINC000102004892 554866864 /nfs/dbraw/zinc/86/68/64/554866864.db2.gz YNRNZOIDTWQSQK-UHFFFAOYSA-N 0 0 516.402 4.687 50 0 KJAARN COc1cccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)c1 ZINC000102004898 554866838 /nfs/dbraw/zinc/86/68/38/554866838.db2.gz WKHYADFPESBCGS-UHFFFAOYSA-N 0 0 516.402 4.687 50 0 KJAARN COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)cc1OC ZINC000102004910 554866898 /nfs/dbraw/zinc/86/68/98/554866898.db2.gz GPGYNOPSOIIGEC-UHFFFAOYSA-N 0 0 546.428 4.695 50 0 KJAARN COC(=O)c1c(NC(=O)c2ccccc2)c2cc(NCc3ccc4nsnc4c3)cnc2n1C[C@@H]1CCCO1 ZINC000102008548 1066217873 /nfs/dbraw/zinc/21/78/73/1066217873.db2.gz KIHWMJVNXHUUDW-FQEVSTJZSA-N 0 0 542.621 4.871 50 0 KJAARN COC(=O)c1c(NC(=O)c2ccccc2)c2cc(NCc3ccc4nsnc4c3)cnc2n1C[C@H]1CCCO1 ZINC000102008553 1066217850 /nfs/dbraw/zinc/21/78/50/1066217850.db2.gz KIHWMJVNXHUUDW-HXUWFJFHSA-N 0 0 542.621 4.871 50 0 KJAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CN1Cc1cc2c(c(OC)c1)OCO2 ZINC000102017713 1066217773 /nfs/dbraw/zinc/21/77/73/1066217773.db2.gz DNUCLPFYPDXYJH-REWPJTCUSA-N 0 0 556.537 4.656 50 0 KJAARN CCN1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2csc(Nc3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000102021174 554867348 /nfs/dbraw/zinc/86/73/48/554867348.db2.gz SHOVNBWITFYYNM-UHFFFAOYSA-N 0 0 536.485 4.983 50 0 KJAARN CCN1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1 ZINC000102021186 554867452 /nfs/dbraw/zinc/86/74/52/554867452.db2.gz UZEYSXOIZAUMCA-UHFFFAOYSA-N 0 0 535.592 4.695 50 0 KJAARN O=c1c2cc(F)c(N3CCOCC3)cc2n(Cc2ccc(F)cc2)cc1S(=O)(=O)c1cccc(Cl)c1 ZINC000102021999 554867489 /nfs/dbraw/zinc/86/74/89/554867489.db2.gz QVCZWIQRCUUDBL-UHFFFAOYSA-N 0 0 530.980 4.651 50 0 KJAARN O=c1c2cc(F)c(N3CCOCC3)cc2n(Cc2cccc(F)c2)cc1S(=O)(=O)c1cccc(Cl)c1 ZINC000102022014 554867439 /nfs/dbraw/zinc/86/74/39/554867439.db2.gz VCMCKJKLEFZYNR-UHFFFAOYSA-N 0 0 530.980 4.651 50 0 KJAARN COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1COc1ccc(Br)cc1 ZINC000102026833 554867459 /nfs/dbraw/zinc/86/74/59/554867459.db2.gz WVEDPLCNIAJQNU-WUXMJOGZSA-N 0 0 587.492 4.710 50 0 KJAARN C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)N4CCN(C/C=C/c5ccccc5)CC4)CC3)c2C1=O ZINC000102027468 554867683 /nfs/dbraw/zinc/86/76/83/554867683.db2.gz UPSFRZIDPCREAM-CJHOVAGGSA-N 0 0 569.731 4.574 50 0 KJAARN C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)N4CCN(C/C=C/c5ccccc5)CC4)CC3)c2C1=O ZINC000102027471 554867595 /nfs/dbraw/zinc/86/75/95/554867595.db2.gz UPSFRZIDPCREAM-MFJULSPGSA-N 0 0 569.731 4.574 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC)C(=O)Nc1ccccc1OC ZINC000102033897 554868357 /nfs/dbraw/zinc/86/83/57/554868357.db2.gz AUVWCOLIRRRYRX-QHCPKHFHSA-N 0 0 552.653 4.632 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC)C(=O)Nc1ccccc1OC ZINC000102033900 554868342 /nfs/dbraw/zinc/86/83/42/554868342.db2.gz AUVWCOLIRRRYRX-HSZRJFAPSA-N 0 0 552.653 4.632 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1)C(=O)Nc1ccccc1OC ZINC000102036351 554869114 /nfs/dbraw/zinc/86/91/14/554869114.db2.gz LYZHHUPDPAIPJG-MHZLTWQESA-N 0 0 546.624 4.571 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(=O)Nc1ccccc1OC ZINC000102036355 554869067 /nfs/dbraw/zinc/86/90/67/554869067.db2.gz LYZHHUPDPAIPJG-HHHXNRCGSA-N 0 0 546.624 4.571 50 0 KJAARN CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000102038913 554869274 /nfs/dbraw/zinc/86/92/74/554869274.db2.gz IYHVMTSPFWLOBC-JOCHJYFZSA-N 0 0 528.477 4.660 50 0 KJAARN CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000102038919 554869339 /nfs/dbraw/zinc/86/93/39/554869339.db2.gz IYHVMTSPFWLOBC-QFIPXVFZSA-N 0 0 528.477 4.660 50 0 KJAARN CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102038979 554869235 /nfs/dbraw/zinc/86/92/35/554869235.db2.gz VFHLHTMMURYLEO-JOCHJYFZSA-N 0 0 544.039 4.886 50 0 KJAARN CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102038984 554869280 /nfs/dbraw/zinc/86/92/80/554869280.db2.gz VFHLHTMMURYLEO-QFIPXVFZSA-N 0 0 544.039 4.886 50 0 KJAARN 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ZINC000102238740 554902284 /nfs/dbraw/zinc/90/22/84/554902284.db2.gz PREFZVJLJKAOHB-NSYGIPOTSA-N 0 0 577.484 4.882 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000102238746 554902239 /nfs/dbraw/zinc/90/22/39/554902239.db2.gz PREFZVJLJKAOHB-CRICUBBOSA-N 0 0 577.484 4.882 50 0 KJAARN COc1cc(C2=NC(=S)N[C@H](c3cc(OC)c(OC)c(OC)c3)C2c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000102239224 554902316 /nfs/dbraw/zinc/90/23/16/554902316.db2.gz YCYNEPAHVOBNSO-XMMPIXPASA-N 0 0 562.648 4.702 50 0 KJAARN COc1cc(C2=NC(=S)N[C@@H](c3cc(OC)c(OC)c(OC)c3)C2c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000102239229 554902295 /nfs/dbraw/zinc/90/22/95/554902295.db2.gz YCYNEPAHVOBNSO-DEOSSOPVSA-N 0 0 562.648 4.702 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)c(C(=O)N3CCCCC3)c2)c1 ZINC000102239539 554902342 /nfs/dbraw/zinc/90/23/42/554902342.db2.gz SVDDLRMPMIYUNG-UHFFFAOYSA-N 0 0 544.627 4.675 50 0 KJAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)c(C(=O)N3CCCCC3)c2)cc1 ZINC000102239574 554902270 /nfs/dbraw/zinc/90/22/70/554902270.db2.gz OLLSCYBWYNXTOJ-UHFFFAOYSA-N 0 0 544.627 4.675 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)c(C(=O)N3CCCCC3)c2)c1 ZINC000102239596 554902299 /nfs/dbraw/zinc/90/22/99/554902299.db2.gz DHKLRFHRDBUWIV-UHFFFAOYSA-N 0 0 540.664 4.844 50 0 KJAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)c(C(=O)N3CCCCC3)c2)cc1 ZINC000102239612 554902279 /nfs/dbraw/zinc/90/22/79/554902279.db2.gz SMPNQVLMQQDKHD-UHFFFAOYSA-N 0 0 544.627 4.675 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000102239628 554902268 /nfs/dbraw/zinc/90/22/68/554902268.db2.gz XRSFGFRNSVKOAW-MHZLTWQESA-N 0 0 575.109 4.907 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000102239638 554902568 /nfs/dbraw/zinc/90/25/68/554902568.db2.gz XRSFGFRNSVKOAW-HHHXNRCGSA-N 0 0 575.109 4.907 50 0 KJAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000102239948 554902571 /nfs/dbraw/zinc/90/25/71/554902571.db2.gz IKYHREXHMXAAPG-NDEPHWFRSA-N 0 0 554.691 4.562 50 0 KJAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000102239952 554902540 /nfs/dbraw/zinc/90/25/40/554902540.db2.gz IKYHREXHMXAAPG-MUUNZHRXSA-N 0 0 554.691 4.562 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccc(F)cc4)C(=O)C4CCC4)cc3)CC2)cc1 ZINC000102241677 554902753 /nfs/dbraw/zinc/90/27/53/554902753.db2.gz DJMUIPTVKQQFLB-UHFFFAOYSA-N 0 0 558.654 4.564 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)C4CCCC4)cc3)CC2)cc1 ZINC000102241798 554902851 /nfs/dbraw/zinc/90/28/51/554902851.db2.gz GFZHASMNEMESHN-UHFFFAOYSA-N 0 0 554.691 4.815 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)CC(C)C)cc3)CC2)cc1 ZINC000102241819 554902815 /nfs/dbraw/zinc/90/28/15/554902815.db2.gz ZFMQQCVFIIUHCK-UHFFFAOYSA-N 0 0 542.680 4.671 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccc(F)cc4)C(=O)C4CCCC4)cc3)CC2)cc1 ZINC000102241825 554902737 /nfs/dbraw/zinc/90/27/37/554902737.db2.gz MOIICJAQFJXADI-UHFFFAOYSA-N 0 0 572.681 4.954 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)c4ccccc4)cc3)CC2)cc1 ZINC000102241885 554902762 /nfs/dbraw/zinc/90/27/62/554902762.db2.gz AYCFYLZDSHBLEB-UHFFFAOYSA-N 0 0 562.670 4.939 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000102241937 554902770 /nfs/dbraw/zinc/90/27/70/554902770.db2.gz DWZMWRGHBIMZHF-UHFFFAOYSA-N 0 0 549.071 4.802 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccc(F)cc4)C(=O)CC(C)C)cc3)CC2)cc1 ZINC000102241993 554902819 /nfs/dbraw/zinc/90/28/19/554902819.db2.gz LIKWEJFPTHXGKI-UHFFFAOYSA-N 0 0 560.670 4.810 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)Cc2ccc(F)cc2)cc1 ZINC000102242024 554903002 /nfs/dbraw/zinc/90/30/02/554903002.db2.gz UMAWPPDLPDZVCV-UHFFFAOYSA-N 0 0 560.670 4.810 50 0 KJAARN COc1cccc(CN2C(=O)c3cccc(N4CCN(C(=O)Cc5ccc6ccccc6c5)CC4)c3C2=O)c1OC ZINC000102242027 554902965 /nfs/dbraw/zinc/90/29/65/554902965.db2.gz DXVPDKLHHVUAID-UHFFFAOYSA-N 0 0 549.627 4.545 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccc(Cl)cc4)C(C)C)cc3)CC2)cc1 ZINC000102243183 554903330 /nfs/dbraw/zinc/90/33/30/554903330.db2.gz JDGLWAYBSLTUAQ-UHFFFAOYSA-N 0 0 549.071 4.800 50 0 KJAARN COCCN(Cc1cc2ccc(F)cc2nc1N1CCN(c2cccc(OC)c2)CC1)C(=O)Cc1ccsc1 ZINC000102247789 1066220783 /nfs/dbraw/zinc/22/07/83/1066220783.db2.gz QZYAPTKHBFGHNG-UHFFFAOYSA-N 0 0 548.684 4.988 50 0 KJAARN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)oc(=S)n2CN1CCN(c2ccc(O)cc2)CC1 ZINC000102249420 554903762 /nfs/dbraw/zinc/90/37/62/554903762.db2.gz ZXTKJBAJSNEROT-UHFFFAOYSA-N 0 0 531.059 4.903 50 0 KJAARN CCN1c2ccccc2/C(=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(OC)cc2)C1=O ZINC000102255412 554904533 /nfs/dbraw/zinc/90/45/33/554904533.db2.gz JSPXXLMXNQUZNG-HKWRFOASSA-N 0 0 549.368 4.906 50 0 KJAARN COc1cccc(CN2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)c1OC ZINC000102261446 554905151 /nfs/dbraw/zinc/90/51/51/554905151.db2.gz DIQIIEAFTKNNTH-UHFFFAOYSA-N 0 0 539.554 4.841 50 0 KJAARN Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000102263541 554905134 /nfs/dbraw/zinc/90/51/34/554905134.db2.gz IKNKZEQDUIBNJE-UHFFFAOYSA-N 0 0 545.448 4.869 50 0 KJAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)c4ccc(Br)cc4)o3)cc2)CC1 ZINC000102269054 554905659 /nfs/dbraw/zinc/90/56/59/554905659.db2.gz RMLAOJSSZUUWOF-UHFFFAOYSA-N 0 0 567.483 4.548 50 0 KJAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)c4ccc(Br)cc4)o3)cc2)C1 ZINC000102269161 554905615 /nfs/dbraw/zinc/90/56/15/554905615.db2.gz AAVCQRDUJPMYFH-MRXNPFEDSA-N 0 0 567.483 4.548 50 0 KJAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)c4ccc(Br)cc4)o3)cc2)C1 ZINC000102269165 554905639 /nfs/dbraw/zinc/90/56/39/554905639.db2.gz AAVCQRDUJPMYFH-INIZCTEOSA-N 0 0 567.483 4.548 50 0 KJAARN CSc1ccc2cc(CN(C[C@@H]3COc4ccccc4O3)C(=O)c3cncs3)c(N3CCOCC3)nc2c1 ZINC000102269347 1066220842 /nfs/dbraw/zinc/22/08/42/1066220842.db2.gz UDRGIGCNSFFZQG-OAQYLSRUSA-N 0 0 548.690 4.732 50 0 KJAARN CSc1ccc2cc(CN(C[C@H]3COc4ccccc4O3)C(=O)c3cncs3)c(N3CCOCC3)nc2c1 ZINC000102269352 1066220661 /nfs/dbraw/zinc/22/06/61/1066220661.db2.gz UDRGIGCNSFFZQG-NRFANRHFSA-N 0 0 548.690 4.732 50 0 KJAARN COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)N2CCCCC2)cc1 ZINC000102269691 554905629 /nfs/dbraw/zinc/90/56/29/554905629.db2.gz MHCBEGDDTJMKNN-JOCHJYFZSA-N 0 0 547.471 4.841 50 0 KJAARN COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)N2CCCCC2)cc1 ZINC000102269695 554905621 /nfs/dbraw/zinc/90/56/21/554905621.db2.gz MHCBEGDDTJMKNN-QFIPXVFZSA-N 0 0 547.471 4.841 50 0 KJAARN COc1ccc(Br)cc1CN(C)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C ZINC000102269992 554905610 /nfs/dbraw/zinc/90/56/10/554905610.db2.gz ALYKSQGEFGRXCS-UHFFFAOYSA-N 0 0 547.471 4.872 50 0 KJAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000102270372 554905620 /nfs/dbraw/zinc/90/56/20/554905620.db2.gz BNOOZKTVZXXTEW-UHFFFAOYSA-N 0 0 542.661 4.775 50 0 KJAARN CCOc1cc(/C=C\C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)ccc1OCc1ccccc1 ZINC000102273003 1066512237 /nfs/dbraw/zinc/51/22/37/1066512237.db2.gz SOFMBVYTPVWABG-JXAWBTAJSA-N 0 0 596.702 4.899 50 0 KJAARN CCOc1cc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)ccc1OCc1ccccc1 ZINC000102273007 1066512271 /nfs/dbraw/zinc/51/22/71/1066512271.db2.gz SOFMBVYTPVWABG-NBVRZTHBSA-N 0 0 596.702 4.899 50 0 KJAARN COC(=O)c1sc2nc(CSc3nnc(COc4ccc(Cl)cc4)n3Cc3ccco3)[nH]c(=O)c2c1C ZINC000102273880 554906079 /nfs/dbraw/zinc/90/60/79/554906079.db2.gz KVWXOTPJQOJEJH-UHFFFAOYSA-N 0 0 558.041 4.837 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)c(N2C(=O)c3ccccc3C2=O)cc1OC ZINC000102275155 554906081 /nfs/dbraw/zinc/90/60/81/554906081.db2.gz TZPSCJHOJLHVTQ-UHFFFAOYSA-N 0 0 529.332 4.607 50 0 KJAARN COc1ccc(-c2noc(-c3cn(Cc4ccc(NS(=O)(=O)c5ccc(F)c(F)c5)cc4)cn3)n2)cc1 ZINC000102278292 554906408 /nfs/dbraw/zinc/90/64/08/554906408.db2.gz XULBVHKTHQDFBO-UHFFFAOYSA-N 0 0 523.521 4.736 50 0 KJAARN COc1ccc(-c2noc(-c3cn(Cc4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)cn3)n2)cc1OC ZINC000102278370 554906517 /nfs/dbraw/zinc/90/65/17/554906517.db2.gz PVQYTABCCUNIHH-UHFFFAOYSA-N 0 0 531.594 4.775 50 0 KJAARN COc1ccc(-c2noc(-c3cn(Cc4ccc(NS(=O)(=O)c5ccc(F)cc5)cc4)cn3)n2)cc1OC ZINC000102278383 554906609 /nfs/dbraw/zinc/90/66/09/554906609.db2.gz SBUIWEFQSUPCIC-UHFFFAOYSA-N 0 0 535.557 4.606 50 0 KJAARN COc1ccc(-c2noc(-c3cn(Cc4ccc(NS(=O)(=O)c5cccc(F)c5)cc4)cn3)n2)cc1OC ZINC000102278389 554906567 /nfs/dbraw/zinc/90/65/67/554906567.db2.gz KOWOQBOMAASZGO-UHFFFAOYSA-N 0 0 535.557 4.606 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5ccc(C)cc5)no4)c3)cc2)cc1OC ZINC000102278468 554906494 /nfs/dbraw/zinc/90/64/94/554906494.db2.gz VTXYTWCRPKGEGY-UHFFFAOYSA-N 0 0 531.594 4.775 50 0 KJAARN COc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)cc1OC ZINC000102278657 554906492 /nfs/dbraw/zinc/90/64/92/554906492.db2.gz DZSODZYYZJCCNA-UHFFFAOYSA-N 0 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ZINC000102340370 554913147 /nfs/dbraw/zinc/91/31/47/554913147.db2.gz LQVNFAMAXXKKRJ-UHFFFAOYSA-N 0 0 535.815 4.888 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccc(Cl)c1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102340900 554913143 /nfs/dbraw/zinc/91/31/43/554913143.db2.gz XBJYINFAEVACAY-SANMLTNESA-N 0 0 572.102 4.520 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccc(Cl)c1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000102340903 554913127 /nfs/dbraw/zinc/91/31/27/554913127.db2.gz XBJYINFAEVACAY-AREMUKBSSA-N 0 0 572.102 4.520 50 0 KJAARN COc1ccc(CN2CCN(C(C)=O)CC2)cc1OC1CCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000102341834 1066221457 /nfs/dbraw/zinc/22/14/57/1066221457.db2.gz VDNNVIJVJZLPBM-UHFFFAOYSA-N 0 0 545.655 4.849 50 0 KJAARN COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCN(C(=O)[C@@H](C)c3n[nH]c(=O)c5ccccc53)C4)cc(C)c2c1 ZINC000102343866 554913439 /nfs/dbraw/zinc/91/34/39/554913439.db2.gz XUJYXXCHLYWCFC-IBGZPJMESA-N 0 0 580.641 4.997 50 0 KJAARN COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCCN(C(=O)[C@H](C)c3n[nH]c(=O)c5ccccc53)C4)cc(C)c2c1 ZINC000102343869 554913361 /nfs/dbraw/zinc/91/33/61/554913361.db2.gz XUJYXXCHLYWCFC-LJQANCHMSA-N 0 0 580.641 4.997 50 0 KJAARN COCCN(Cc1cc2ccc(OC)cc2nc1N1CCN(C(C)=O)CC1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000102352065 1066221417 /nfs/dbraw/zinc/22/14/17/1066221417.db2.gz DTRCXXFITVTZFT-UHFFFAOYSA-N 0 0 552.675 4.868 50 0 KJAARN CCn1cc(CNc2cnc3c(c2)c(NC(=O)[C@@H]2CCOC2)c(C(=O)OC)n3CCCc2ccccc2)c(C)n1 ZINC000102358814 1066222210 /nfs/dbraw/zinc/22/22/10/1066222210.db2.gz CCYIBAUPUXKBDI-JOCHJYFZSA-N 0 0 544.656 4.568 50 0 KJAARN CCn1cc(CNc2cnc3c(c2)c(NC(=O)[C@H]2CCOC2)c(C(=O)OC)n3CCCc2ccccc2)c(C)n1 ZINC000102358817 1066372341 /nfs/dbraw/zinc/37/23/41/1066372341.db2.gz CCYIBAUPUXKBDI-QFIPXVFZSA-N 0 0 544.656 4.568 50 0 KJAARN Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCC(C(=O)N(C)Cc5cc6ccccc6s5)CC4)c3C2=O)n1 ZINC000102358901 554915664 /nfs/dbraw/zinc/91/56/64/554915664.db2.gz GVYROZHWPSZOOH-UHFFFAOYSA-N 0 0 555.704 4.886 50 0 KJAARN COc1cc(CC(=O)NCCc2nnc(SCc3ccccc3C)n2-c2ccc(F)cc2)cc(OC)c1OC ZINC000102366411 554915676 /nfs/dbraw/zinc/91/56/76/554915676.db2.gz FYLMSZORNJWYAJ-UHFFFAOYSA-N 0 0 550.656 4.934 50 0 KJAARN COc1cccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCc4ccncc4)N32)c1OC ZINC000102372855 554917266 /nfs/dbraw/zinc/91/72/66/554917266.db2.gz IEBRFHBLASQNJG-DEOSSOPVSA-N 0 0 536.654 4.722 50 0 KJAARN COc1cccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCc4ccncc4)N32)c1OC ZINC000102372860 554917288 /nfs/dbraw/zinc/91/72/88/554917288.db2.gz IEBRFHBLASQNJG-XMMPIXPASA-N 0 0 536.654 4.722 50 0 KJAARN COc1cccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCc4cccnc4)N32)c1OC ZINC000102373170 554917420 /nfs/dbraw/zinc/91/74/20/554917420.db2.gz YVCKVJYRQSFJCQ-DEOSSOPVSA-N 0 0 536.654 4.722 50 0 KJAARN COc1cccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCc4cccnc4)N32)c1OC ZINC000102373174 554917431 /nfs/dbraw/zinc/91/74/31/554917431.db2.gz YVCKVJYRQSFJCQ-XMMPIXPASA-N 0 0 536.654 4.722 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCc4cccnc4)N32)cc1OC ZINC000102373490 554917647 /nfs/dbraw/zinc/91/76/47/554917647.db2.gz QNAJXNTYOIVISQ-VWLOTQADSA-N 0 0 536.654 4.722 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCc4cccnc4)N32)cc1OC ZINC000102373495 554917678 /nfs/dbraw/zinc/91/76/78/554917678.db2.gz QNAJXNTYOIVISQ-RUZDIDTESA-N 0 0 536.654 4.722 50 0 KJAARN COc1ccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCCc4ccccn4)N32)cc1OC ZINC000102373521 554917629 /nfs/dbraw/zinc/91/76/29/554917629.db2.gz UIDLTOBAWRGOTI-SANMLTNESA-N 0 0 550.681 4.764 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCCc4ccccn4)N32)cc1OC ZINC000102373525 554917636 /nfs/dbraw/zinc/91/76/36/554917636.db2.gz UIDLTOBAWRGOTI-AREMUKBSSA-N 0 0 550.681 4.764 50 0 KJAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(OC(C)C)cc2)CC1 ZINC000102375925 554918132 /nfs/dbraw/zinc/91/81/32/554918132.db2.gz PRCJBTVHTKIDLQ-JLHYYAGUSA-N 0 0 541.645 4.797 50 0 KJAARN CC[C@H](C)NC(=O)c1cc(NC(=O)c2c(OC)cccc2OC)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000102376304 554918072 /nfs/dbraw/zinc/91/80/72/554918072.db2.gz YZUIBKSVWNDCKR-NRFANRHFSA-N 0 0 546.668 4.820 50 0 KJAARN Cc1nc2cc(N3C(=O)c4cccc(N5CCC[C@H](C(=O)NC[C@H]6C[C@@H]7C=C[C@H]6C7)C5)c4C3=O)ccc2s1 ZINC000102377202 554918281 /nfs/dbraw/zinc/91/82/81/554918281.db2.gz AJOPWRLUWFCRSN-IVAOSVALSA-N 0 0 526.662 4.950 50 0 KJAARN Cc1nc2cc(N3C(=O)c4cccc(N5CCC[C@@H](C(=O)NC[C@H]6C[C@@H]7C=C[C@H]6C7)C5)c4C3=O)ccc2s1 ZINC000102377204 554918229 /nfs/dbraw/zinc/91/82/29/554918229.db2.gz AJOPWRLUWFCRSN-PLACYPQZSA-N 0 0 526.662 4.950 50 0 KJAARN Cn1cccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000102380813 554918547 /nfs/dbraw/zinc/91/85/47/554918547.db2.gz OGYZAWOMPQVFIC-DEOSSOPVSA-N 0 0 588.656 4.649 50 0 KJAARN Cn1cccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000102380817 554918564 /nfs/dbraw/zinc/91/85/64/554918564.db2.gz OGYZAWOMPQVFIC-XMMPIXPASA-N 0 0 588.656 4.649 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(NCc3ccc4c(c3)OCO4)cnc2n1CCc1ccccc1 ZINC000102382880 1066222194 /nfs/dbraw/zinc/22/21/94/1066222194.db2.gz HGJXQNWUEIRTKN-DEOSSOPVSA-N 0 0 542.592 4.524 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(NCc3ccc4c(c3)OCO4)cnc2n1CCc1ccccc1 ZINC000102382882 1066222120 /nfs/dbraw/zinc/22/21/20/1066222120.db2.gz HGJXQNWUEIRTKN-XMMPIXPASA-N 0 0 542.592 4.524 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(NCc3ccc(OC)c(O)c3)cnc2n1CCc1ccccc1 ZINC000102383268 1066221964 /nfs/dbraw/zinc/22/19/64/1066221964.db2.gz FTBICHAXUPCMEY-VWLOTQADSA-N 0 0 544.608 4.509 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(NCc3ccc(OC)c(O)c3)cnc2n1CCc1ccccc1 ZINC000102383270 1066222228 /nfs/dbraw/zinc/22/22/28/1066222228.db2.gz FTBICHAXUPCMEY-RUZDIDTESA-N 0 0 544.608 4.509 50 0 KJAARN O=C(C1CCN(c2cccc3c2C(=O)N(Cc2nc4ccccc4s2)C3=O)CC1)N1CCN(c2ccccc2)CC1 ZINC000102384687 554918578 /nfs/dbraw/zinc/91/85/78/554918578.db2.gz FMCQSHSESRIONC-UHFFFAOYSA-N 0 0 565.699 4.658 50 0 KJAARN COC(=O)c1c(NC(=O)c2ccccc2)c2cc(NCc3ccc(NC(C)=O)cc3)cnc2n1C[C@@H]1CCCO1 ZINC000102384900 554918525 /nfs/dbraw/zinc/91/85/25/554918525.db2.gz VZCAEXPFVBOLDH-DEOSSOPVSA-N 0 0 541.608 4.825 50 0 KJAARN COC(=O)c1c(NC(=O)c2ccccc2)c2cc(NCc3ccc(NC(C)=O)cc3)cnc2n1C[C@H]1CCCO1 ZINC000102384903 554918554 /nfs/dbraw/zinc/91/85/54/554918554.db2.gz VZCAEXPFVBOLDH-XMMPIXPASA-N 0 0 541.608 4.825 50 0 KJAARN COCCn1c2ncc(NCc3ccc(NC(C)=O)cc3)cc2c(NC(=O)CCc2ccccc2)c1C(=O)OC ZINC000102385599 1066222161 /nfs/dbraw/zinc/22/21/61/1066222161.db2.gz PDEAYVVOHHAZGZ-UHFFFAOYSA-N 0 0 543.624 4.611 50 0 KJAARN COCC(=O)Nc1c2cc(NCc3cccc(F)c3F)cnc2n(CCc2ccc(OC)cc2)c1C(=O)OC ZINC000102386254 1066221877 /nfs/dbraw/zinc/22/18/77/1066221877.db2.gz ZYQNYNLNPHLRGE-UHFFFAOYSA-N 0 0 538.551 4.549 50 0 KJAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(NCc3ccc(NC(C)=O)cc3)cnc2n1Cc1ccccc1 ZINC000102386823 1066221898 /nfs/dbraw/zinc/22/18/98/1066221898.db2.gz DLOBRRVYQHEEKR-VWLOTQADSA-N 0 0 541.608 4.559 50 0 KJAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(NCc3ccc(NC(C)=O)cc3)cnc2n1Cc1ccccc1 ZINC000102386827 1066222103 /nfs/dbraw/zinc/22/21/03/1066222103.db2.gz DLOBRRVYQHEEKR-RUZDIDTESA-N 0 0 541.608 4.559 50 0 KJAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000102386898 1066222021 /nfs/dbraw/zinc/22/20/21/1066222021.db2.gz SXAMPMCZKUGZLW-UHFFFAOYSA-N 0 0 574.669 4.650 50 0 KJAARN COC(=O)c1c(NC(C)=O)c2cc(NCc3cccn3-c3nccs3)cnc2n1CCc1ccc(OC)cc1 ZINC000102387010 1066222258 /nfs/dbraw/zinc/22/22/58/1066222258.db2.gz NRZPNWXFYMTOIX-UHFFFAOYSA-N 0 0 544.637 4.892 50 0 KJAARN CCOc1cc(CNc2cc(C(=O)NCc3cccnc3)cc(S(=O)(=O)Nc3ccccc3)c2)ccc1OC ZINC000102387555 1066221917 /nfs/dbraw/zinc/22/19/17/1066221917.db2.gz IKSWIQYRHXRFPX-UHFFFAOYSA-N 0 0 546.649 4.832 50 0 KJAARN COc1cc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2F)ccc1OC1Cc2ccccc2C1 ZINC000102388189 1066498112 /nfs/dbraw/zinc/49/81/12/1066498112.db2.gz SUZOKZDAFPMSBL-QHCPKHFHSA-N 0 0 529.605 4.890 50 0 KJAARN COc1cc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2F)ccc1OC1Cc2ccccc2C1 ZINC000102388192 1066498291 /nfs/dbraw/zinc/49/82/91/1066498291.db2.gz SUZOKZDAFPMSBL-HSZRJFAPSA-N 0 0 529.605 4.890 50 0 KJAARN CCSc1nnc2c(n1)O[C@@H](c1cc(OC)cc(Br)c1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000102389803 554918745 /nfs/dbraw/zinc/91/87/45/554918745.db2.gz RJIWAQATNJSFSA-QFIPXVFZSA-N 0 0 545.415 4.791 50 0 KJAARN CCSc1nnc2c(n1)O[C@H](c1cc(OC)cc(Br)c1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000102389806 554918696 /nfs/dbraw/zinc/91/86/96/554918696.db2.gz RJIWAQATNJSFSA-JOCHJYFZSA-N 0 0 545.415 4.791 50 0 KJAARN CCCc1nc2onc(-c3ccccc3)c2c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000102390346 554918708 /nfs/dbraw/zinc/91/87/08/554918708.db2.gz VMNKDNSBWUFQRO-UHFFFAOYSA-N 0 0 531.560 4.767 50 0 KJAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(NCc3c(OC)cccc3OC)cnc2n1CCc1ccccn1 ZINC000102390551 1066222085 /nfs/dbraw/zinc/22/20/85/1066222085.db2.gz HGASTJORSHGARE-UHFFFAOYSA-N 0 0 543.624 4.829 50 0 KJAARN COCC(=O)Nc1c2cc(NCc3ccc(F)c(F)c3)cnc2n(CCc2ccc(OC)cc2)c1C(=O)OC ZINC000102390905 1066221948 /nfs/dbraw/zinc/22/19/48/1066221948.db2.gz LUCOPJXPLHGSGJ-UHFFFAOYSA-N 0 0 538.551 4.549 50 0 KJAARN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)c(OC)c1 ZINC000102391118 554918733 /nfs/dbraw/zinc/91/87/33/554918733.db2.gz RHERLWGTSYSDAH-NRFANRHFSA-N 0 0 567.465 4.965 50 0 KJAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)c(OC)c1 ZINC000102391122 554918674 /nfs/dbraw/zinc/91/86/74/554918674.db2.gz RHERLWGTSYSDAH-OAQYLSRUSA-N 0 0 567.465 4.965 50 0 KJAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1OC)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000102391161 554919025 /nfs/dbraw/zinc/91/90/25/554919025.db2.gz DSAXVVFTRFCSHG-YJYMSZOUSA-N 0 0 533.448 4.768 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1OC)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000102391164 554919080 /nfs/dbraw/zinc/91/90/80/554919080.db2.gz DSAXVVFTRFCSHG-DJJJIMSYSA-N 0 0 533.448 4.768 50 0 KJAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC)cc1OC)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000102391166 554919072 /nfs/dbraw/zinc/91/90/72/554919072.db2.gz DSAXVVFTRFCSHG-BFUOFWGJSA-N 0 0 533.448 4.768 50 0 KJAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(OC)cc1OC)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000102391168 554919075 /nfs/dbraw/zinc/91/90/75/554919075.db2.gz DSAXVVFTRFCSHG-ORAYPTAESA-N 0 0 533.448 4.768 50 0 KJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1)c1cccc(C(F)(F)F)c1 ZINC000102391329 554919010 /nfs/dbraw/zinc/91/90/10/554919010.db2.gz YAGCSDBFCMASLC-IBGZPJMESA-N 0 0 540.523 4.932 50 0 KJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1)c1cccc(C(F)(F)F)c1 ZINC000102391332 554919039 /nfs/dbraw/zinc/91/90/39/554919039.db2.gz YAGCSDBFCMASLC-LJQANCHMSA-N 0 0 540.523 4.932 50 0 KJAARN COCC(=O)Nc1c2cc(NCc3ccccc3F)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000102391568 1066222242 /nfs/dbraw/zinc/22/22/42/1066222242.db2.gz JTUXBSFYJIGPJB-UHFFFAOYSA-N 0 0 529.572 4.883 50 0 KJAARN 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COc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(C)cc2)S3(=O)=O)c1 ZINC000102451125 554931658 /nfs/dbraw/zinc/93/16/58/554931658.db2.gz QASGDUKYTZYHNL-UHFFFAOYSA-N 0 0 532.647 4.900 50 0 KJAARN COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(C)cc2)S3(=O)=O)cc1 ZINC000102451131 554931695 /nfs/dbraw/zinc/93/16/95/554931695.db2.gz GEYLLQQKULEZBE-UHFFFAOYSA-N 0 0 532.647 4.900 50 0 KJAARN Cc1ccc(CN2c3ccccc3-c3nc(SCC(=O)Nc4ccc5c(c4)OCO5)ncc3S2(=O)=O)cc1 ZINC000102451190 554931667 /nfs/dbraw/zinc/93/16/67/554931667.db2.gz ZOBNTRNICMUSQJ-UHFFFAOYSA-N 0 0 546.630 4.620 50 0 KJAARN Cc1ccc(CNC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(C)cc2)S3(=O)=O)cc1 ZINC000102451222 554931924 /nfs/dbraw/zinc/93/19/24/554931924.db2.gz ZYLFZBXDBVXUTO-UHFFFAOYSA-N 0 0 530.675 4.878 50 0 KJAARN COc1ccccc1NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O ZINC000102451242 554931915 /nfs/dbraw/zinc/93/19/15/554931915.db2.gz SXAGWBBRRMAMGU-UHFFFAOYSA-N 0 0 536.610 4.731 50 0 KJAARN COc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(F)cc2)S3(=O)=O)c1 ZINC000102451245 554931969 /nfs/dbraw/zinc/93/19/69/554931969.db2.gz ODEWHOHLMVQEFI-UHFFFAOYSA-N 0 0 536.610 4.731 50 0 KJAARN COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccc(F)cc2)S3(=O)=O)cc1 ZINC000102451250 554931945 /nfs/dbraw/zinc/93/19/45/554931945.db2.gz PWWSIANYJJFZKS-UHFFFAOYSA-N 0 0 536.610 4.731 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O)Nc1ccccc1F ZINC000102451257 554931931 /nfs/dbraw/zinc/93/19/31/554931931.db2.gz QDBISTRVJZMLPW-UHFFFAOYSA-N 0 0 524.574 4.862 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O)Nc1cccc(F)c1 ZINC000102451263 554931933 /nfs/dbraw/zinc/93/19/33/554931933.db2.gz JCJNTHYGZVBYSI-UHFFFAOYSA-N 0 0 524.574 4.862 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O)Nc1ccc(F)cc1 ZINC000102451266 554931953 /nfs/dbraw/zinc/93/19/53/554931953.db2.gz XUISKPBMVFCSDZ-UHFFFAOYSA-N 0 0 524.574 4.862 50 0 KJAARN 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O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(F)c1)S2(=O)=O)c1ccc2c(c1)OCO2 ZINC000102451490 554932118 /nfs/dbraw/zinc/93/21/18/554932118.db2.gz UPIWXLBMFXQNLH-UHFFFAOYSA-N 0 0 535.578 4.695 50 0 KJAARN COc1cccc(C(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2cccc(F)c2)S3(=O)=O)c1 ZINC000102451494 554932106 /nfs/dbraw/zinc/93/21/06/554932106.db2.gz YHZXIXNSYZFLPS-UHFFFAOYSA-N 0 0 521.595 4.975 50 0 KJAARN COc1ccccc1NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(C)c1)S2(=O)=O ZINC000102451512 554932092 /nfs/dbraw/zinc/93/20/92/554932092.db2.gz HHODQJQVANKHSH-UHFFFAOYSA-N 0 0 532.647 4.900 50 0 KJAARN COc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2cccc(C)c2)S3(=O)=O)c1 ZINC000102451516 554932121 /nfs/dbraw/zinc/93/21/21/554932121.db2.gz PSJHMDFVMXEAEZ-UHFFFAOYSA-N 0 0 532.647 4.900 50 0 KJAARN COc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2cccc(C)c2)S3(=O)=O)cc1 ZINC000102451522 554932037 /nfs/dbraw/zinc/93/20/37/554932037.db2.gz YKJNENOOVMLVBO-UHFFFAOYSA-N 0 0 532.647 4.900 50 0 KJAARN 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COc1ccc(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccc(OC)c(OC)c2)cc1OC ZINC000102451865 554932559 /nfs/dbraw/zinc/93/25/59/554932559.db2.gz JZGOLYXYUAHEEW-UHFFFAOYSA-N 0 0 551.621 4.961 50 0 KJAARN CCN(C(=O)N(CC)c1ccc(S(=O)(=O)c2ccccn2)cc1)c1ccc(S(=O)(=O)c2ccccn2)cc1 ZINC000102451952 554932550 /nfs/dbraw/zinc/93/25/50/554932550.db2.gz WWADBVKMTFWISI-UHFFFAOYSA-N 0 0 550.662 4.615 50 0 KJAARN CCCN(CCC)C(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1OC ZINC000102452010 554932721 /nfs/dbraw/zinc/93/27/21/554932721.db2.gz CODROJSOVZTYMX-UHFFFAOYSA-N 0 0 551.450 4.740 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(Cl)cc1)S2(=O)=O)NCc1ccccc1 ZINC000102452029 554932706 /nfs/dbraw/zinc/93/27/06/554932706.db2.gz KMAFRHANWRWNAD-UHFFFAOYSA-N 0 0 537.066 4.914 50 0 KJAARN O=C(CSc1ncc2c(n1)-c1ccc(Cl)cc1N(Cc1ccccc1)S2(=O)=O)Nc1ccc2c(c1)OCO2 ZINC000102452524 554932966 /nfs/dbraw/zinc/93/29/66/554932966.db2.gz MDZLSYRJJWIYOU-UHFFFAOYSA-N 0 0 567.048 4.965 50 0 KJAARN 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COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1c1ccccc1 ZINC000102683255 555006644 /nfs/dbraw/zinc/00/66/44/555006644.db2.gz BKKFLDMRFVVHEW-SVBPBHIXSA-N 0 0 537.582 4.981 50 0 KJAARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1Br ZINC000102684078 555006714 /nfs/dbraw/zinc/00/67/14/555006714.db2.gz CWFCQZJGVIHRMX-UHFFFAOYSA-N 0 0 588.543 4.962 50 0 KJAARN COc1cc(C(=O)N(Cc2ccc(OC3Cc4ccccc4C3)cc2)[C@H]2CCCCNC2=O)cc(OC)c1OC ZINC000102684356 1066225209 /nfs/dbraw/zinc/22/52/09/1066225209.db2.gz OFJXNNDTOLCXMV-MHZLTWQESA-N 0 0 544.648 4.570 50 0 KJAARN COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@@H]3CCCO3)C(=O)c3cccc4ccccc43)cc12 ZINC000102684983 1066225336 /nfs/dbraw/zinc/22/53/36/1066225336.db2.gz ACLMUWMTSUIVOF-SANMLTNESA-N 0 0 582.701 4.895 50 0 KJAARN COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@H]3CCCO3)C(=O)c3cccc4ccccc43)cc12 ZINC000102684987 1066225132 /nfs/dbraw/zinc/22/51/32/1066225132.db2.gz ACLMUWMTSUIVOF-AREMUKBSSA-N 0 0 582.701 4.895 50 0 KJAARN C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COCc1ccccc1 ZINC000102685722 555006868 /nfs/dbraw/zinc/00/68/68/555006868.db2.gz ORJWKIYMQSHCAJ-RCRUUEGKSA-N 0 0 535.685 4.501 50 0 KJAARN C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COCc1ccccc1 ZINC000102685725 555006909 /nfs/dbraw/zinc/00/69/09/555006909.db2.gz ORJWKIYMQSHCAJ-CHJDUVSTSA-N 0 0 535.685 4.501 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(CSc3nnc(-c4ccncc4)n3-c3ccccc3F)n2)C1 ZINC000102686102 555006858 /nfs/dbraw/zinc/00/68/58/555006858.db2.gz NBRCSCCKZHRVCO-GOSISDBHSA-N 0 0 552.657 4.633 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2csc(CSc3nnc(-c4ccncc4)n3-c3ccccc3F)n2)C1 ZINC000102686105 555006877 /nfs/dbraw/zinc/00/68/77/555006877.db2.gz NBRCSCCKZHRVCO-SFHVURJKSA-N 0 0 552.657 4.633 50 0 KJAARN O=C(NN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1cccc(Br)c1 ZINC000102686308 555006922 /nfs/dbraw/zinc/00/69/22/555006922.db2.gz RXVFDTUMGMCGSZ-NVPYSNMXSA-N 0 0 501.380 4.833 50 0 aggregator 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COc1ccc(OC)c2nc(N3CCC[C@@H](O)C3)c(CN(CCc3ccc(F)cc3)C(=O)c3ccoc3)cc12 ZINC000102706989 1066226005 /nfs/dbraw/zinc/22/60/05/1066226005.db2.gz QSSKPMWFDDORHJ-XMMPIXPASA-N 0 0 533.600 4.830 50 0 KJAARN CCOC(=O)N1CCN(c2nc3cc(Cl)ccc3cc2CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C2CC2)CC1 ZINC000102707362 1066226401 /nfs/dbraw/zinc/22/64/01/1066226401.db2.gz FDBLQPZOAHFRLW-UHFFFAOYSA-N 0 0 564.086 4.539 50 0 KJAARN COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1OCCc1scnc1C ZINC000102708016 1066226107 /nfs/dbraw/zinc/22/61/07/1066226107.db2.gz ARTIBZKWGHJGTH-QFIPXVFZSA-N 0 0 582.119 4.734 50 0 KJAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CN1Cc1ccc(OC)c(O)c1 ZINC000102709250 1066226149 /nfs/dbraw/zinc/22/61/49/1066226149.db2.gz REGJOYWVMYYRRW-REWPJTCUSA-N 0 0 534.012 4.748 50 0 KJAARN CSc1ccc(COc2coc(CN3CCN(C(=O)c4scc(S(=O)(=O)C(C)C)c4Cl)CC3)cc2=O)cc1 ZINC000102709562 555016091 /nfs/dbraw/zinc/01/60/91/555016091.db2.gz JDTISKJZOICCJJ-UHFFFAOYSA-N 0 0 597.180 4.796 50 0 KJAARN COc1ccc(OC)c2nc(N3CCCC3)c(CN(Cc3ccc4c(c3)OCO4)C(=O)c3cncs3)cc12 ZINC000102709580 1066226093 /nfs/dbraw/zinc/22/60/93/1066226093.db2.gz RTBSGUOIBYPNPR-UHFFFAOYSA-N 0 0 532.622 4.880 50 0 KJAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CN1Cc1cc(OC)c(O)c(OC)c1 ZINC000102709867 1066226284 /nfs/dbraw/zinc/22/62/84/1066226284.db2.gz MOQGFNORTZNYSU-OFNKIYASSA-N 0 0 564.038 4.757 50 0 KJAARN C[N@H+](Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCN(c2ccccn2)CC1 ZINC000102710368 555016426 /nfs/dbraw/zinc/01/64/26/555016426.db2.gz DQSKPUWSVFKJTI-UHFFFAOYSA-N 0 0 556.688 4.898 50 0 KJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000102711664 1066226946 /nfs/dbraw/zinc/22/69/46/1066226946.db2.gz CKHHPKGHHXBZAQ-UHFFFAOYSA-N 0 0 556.732 4.785 50 0 KJAARN COc1ccc2cc(CN(CCc3ccc(F)cc3)C(=O)c3ccc4c(c3)OCO4)c(N3CCOCC3)nc2c1 ZINC000102712567 1066226993 /nfs/dbraw/zinc/22/69/93/1066226993.db2.gz CTDCVCWPTGMPBI-UHFFFAOYSA-N 0 0 543.595 4.833 50 0 KJAARN COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccccc2C(F)(F)F)ccc1OCCc1scnc1C ZINC000102712635 1066226922 /nfs/dbraw/zinc/22/69/22/1066226922.db2.gz UBUCSYHQXPYGRE-NRFANRHFSA-N 0 0 597.681 4.960 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2coc3ccc(C)cc3c2=O)C[C@@H]2CCCO2)cc1 ZINC000102712656 555017296 /nfs/dbraw/zinc/01/72/96/555017296.db2.gz BRHDHLLNEYOKJM-MHZLTWQESA-N 0 0 574.699 4.809 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2coc3ccc(C)cc3c2=O)C[C@H]2CCCO2)cc1 ZINC000102712660 555017326 /nfs/dbraw/zinc/01/73/26/555017326.db2.gz BRHDHLLNEYOKJM-HHHXNRCGSA-N 0 0 574.699 4.809 50 0 KJAARN COc1cc2c(cc1CN1C[C@H](n3cnnn3)C[C@H]1C(=O)NCCc1ccccc1)oc(C)c2-c1ccccc1 ZINC000102713103 555017635 /nfs/dbraw/zinc/01/76/35/555017635.db2.gz TVUGDIUWLYGTTE-VPUSJEBWSA-N 0 0 536.636 4.578 50 0 KJAARN COc1ccccc1CCN1C(=O)c2cccc(N3CCC(C(=O)N4CCN(c5ccc(C)cc5C)CC4)CC3)c2C1=O ZINC000102713588 555017891 /nfs/dbraw/zinc/01/78/91/555017891.db2.gz JNBSCRJWWFPADK-UHFFFAOYSA-N 0 0 580.729 4.716 50 0 KJAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(OC3Cc4ccccc4C3)cc2)[C@H]2CCCCNC2=O)cc1OC ZINC000102713644 1066226730 /nfs/dbraw/zinc/22/67/30/1066226730.db2.gz CZTBWHFLDGHEFQ-AELSSEKOSA-N 0 0 540.660 4.961 50 0 KJAARN C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)N3CCc4ccccc4C3)n2)CCN1C(=O)CCC1CCCC1 ZINC000102720736 555020270 /nfs/dbraw/zinc/02/02/70/555020270.db2.gz RAKQJAJBDRUBFM-HXUWFJFHSA-N 0 0 542.149 4.815 50 0 KJAARN C[C@H]1CN(c2cc(Cl)nc(SCC(=O)N3CCc4ccccc4C3)n2)CCN1C(=O)CCC1CCCC1 ZINC000102720739 555020239 /nfs/dbraw/zinc/02/02/39/555020239.db2.gz RAKQJAJBDRUBFM-FQEVSTJZSA-N 0 0 542.149 4.815 50 0 KJAARN COc1ccccc1N1CCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5cc(F)ccc5C)n4)c(=O)n23)CC1 ZINC000102721657 555020416 /nfs/dbraw/zinc/02/04/16/555020416.db2.gz VIZSKUOYLVXANG-UHFFFAOYSA-N 0 0 586.693 4.573 50 0 KJAARN COc1ccccc1N1CCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5cccc(C)c5C)n4)c(=O)n23)CC1 ZINC000102721840 555020378 /nfs/dbraw/zinc/02/03/78/555020378.db2.gz ISCNSTQJLYNYMF-UHFFFAOYSA-N 0 0 582.730 4.742 50 0 KJAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4cc(Cl)ccc4OC)C[C@@H]23)cc1OC ZINC000102722267 555020453 /nfs/dbraw/zinc/02/04/53/555020453.db2.gz AJYKDEJENJYOLR-OZXSUGGESA-N 0 0 536.072 4.592 50 0 KJAARN O=C(N/C(=C\c1cc(Br)cs1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1 ZINC000102724144 555021038 /nfs/dbraw/zinc/02/10/38/555021038.db2.gz IUOSQBPKEHUOHX-WQHXNLHFSA-N 0 0 558.885 4.743 50 0 biogenic KJAARN CCOc1ccc(CCNC(=O)CN2c3ccccc3S(=O)(=O)N(c3cccc(CC)c3)C2=O)cc1OCC ZINC000102724376 555021013 /nfs/dbraw/zinc/02/10/13/555021013.db2.gz BXZCSEZUANDJMF-UHFFFAOYSA-N 0 0 551.665 4.541 50 0 KJAARN O=C(NCc1cccc(Cl)c1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccncc2)c1 ZINC000102724536 555021005 /nfs/dbraw/zinc/02/10/05/555021005.db2.gz UAMYHSRUEMVXPF-QPPBQGQZSA-N 0 0 554.050 4.703 50 0 KJAARN O=C(Nc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccncc1 ZINC000102724746 555021040 /nfs/dbraw/zinc/02/10/40/555021040.db2.gz SPSIAYMNBLCTIQ-BVAGGSTKSA-N 0 0 609.130 4.735 50 0 KJAARN COC(=O)c1cc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccs3)c2)cc(C(=O)OC)c1 ZINC000102724758 555021034 /nfs/dbraw/zinc/02/10/34/555021034.db2.gz CXKGXWWBHIEZHG-XXBNENTESA-N 0 0 626.691 4.611 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)Nc3cccc(C)n3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000102725132 555021209 /nfs/dbraw/zinc/02/12/09/555021209.db2.gz ZTOACSCMOYKHDT-QPPBQGQZSA-N 0 0 549.631 4.689 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000102725175 555021273 /nfs/dbraw/zinc/02/12/73/555021273.db2.gz BRIAFJCGMUOFLR-RDGATRHJSA-N 0 0 540.664 4.749 50 0 KJAARN COc1ccc(CNC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccs3)c2)cc1 ZINC000102725179 555021228 /nfs/dbraw/zinc/02/12/28/555021228.db2.gz JUWUQQQMPZJAQZ-GGAORHGYSA-N 0 0 554.672 4.724 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000102725221 555021205 /nfs/dbraw/zinc/02/12/05/555021205.db2.gz AJNCCSGYVREPGZ-NAKRPHOHSA-N 0 0 603.723 4.695 50 0 KJAARN O=C(Nc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cccnc1 ZINC000102725401 555021311 /nfs/dbraw/zinc/02/13/11/555021311.db2.gz MKNMPSHWKTWOML-BVAGGSTKSA-N 0 0 609.130 4.735 50 0 KJAARN COC(=O)c1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cccs2)c1 ZINC000102725666 555021543 /nfs/dbraw/zinc/02/15/43/555021543.db2.gz WLYSZQHRFZYLIB-CTNGQTDRSA-N 0 0 568.655 4.825 50 0 KJAARN Cc1ccc(-n2nc(C(=O)N(C)Cc3ccccc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1Cl ZINC000102726079 555021885 /nfs/dbraw/zinc/02/18/85/555021885.db2.gz MAODWIXUEDWDDE-UHFFFAOYSA-N 0 0 542.945 4.695 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000102726104 555021903 /nfs/dbraw/zinc/02/19/03/555021903.db2.gz YWEOJQYTVSCMCU-NAKRPHOHSA-N 0 0 633.749 4.704 50 0 KJAARN CCOC(=O)c1ccc(-n2c3nc(SCC(=O)N(CC)CC)n(Cc4ccc5c(c4)OCO5)c(=O)c3sc2=S)cc1 ZINC000102726307 555021832 /nfs/dbraw/zinc/02/18/32/555021832.db2.gz HTWWMBNTJQUMKN-UHFFFAOYSA-N 0 0 612.755 4.892 50 0 KJAARN O=C(CSc1nc2c(sc(=S)n2C[C@@H]2CCCO2)c(=O)n1-c1ccc(F)cc1)NCc1ccccc1 ZINC000102726546 555021841 /nfs/dbraw/zinc/02/18/41/555021841.db2.gz JGCITHWWWGEWEB-IBGZPJMESA-N 0 0 542.683 4.705 50 0 KJAARN O=C(CSc1nc2c(sc(=S)n2C[C@H]2CCCO2)c(=O)n1-c1ccc(F)cc1)NCc1ccccc1 ZINC000102726549 555021872 /nfs/dbraw/zinc/02/18/72/555021872.db2.gz JGCITHWWWGEWEB-LJQANCHMSA-N 0 0 542.683 4.705 50 0 KJAARN O=C(Nc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 ZINC000102726723 555022067 /nfs/dbraw/zinc/02/20/67/555022067.db2.gz XIQIBMYAXLTVOB-UHSQPCAPSA-N 0 0 605.714 4.821 50 0 KJAARN CC[C@H](Sc1nc2c3ccccc3sc2c(=O)n1CCc1ccc(OC)c(OC)c1)C(=O)N1CCOCC1 ZINC000102726786 555022089 /nfs/dbraw/zinc/02/20/89/555022089.db2.gz JENVEYASWLEOQB-QFIPXVFZSA-N 0 0 553.706 4.601 50 0 KJAARN CC[C@@H](Sc1nc2c3ccccc3sc2c(=O)n1CCc1ccc(OC)c(OC)c1)C(=O)N1CCOCC1 ZINC000102726789 555022107 /nfs/dbraw/zinc/02/21/07/555022107.db2.gz JENVEYASWLEOQB-JOCHJYFZSA-N 0 0 553.706 4.601 50 0 KJAARN COc1cc(C(=O)Nc2cc(C(=O)NCc3ccc(F)cc3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000102727000 555022033 /nfs/dbraw/zinc/02/20/33/555022033.db2.gz KPUXEBGRPGLEMV-RDGATRHJSA-N 0 0 626.685 4.819 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)NCc3ccc(F)cc3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000102727018 555022113 /nfs/dbraw/zinc/02/21/13/555022113.db2.gz HKCKXHIZOFIOGL-RDGATRHJSA-N 0 0 566.633 4.802 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nc3c(sc(=S)n3C[C@@H]3CCCO3)c(=O)n2-c2ccc(F)cc2)cc1OC ZINC000102727382 555022340 /nfs/dbraw/zinc/02/23/40/555022340.db2.gz BGDZUKBSOHXWDZ-FQEVSTJZSA-N 0 0 616.762 4.764 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nc3c(sc(=S)n3C[C@H]3CCCO3)c(=O)n2-c2ccc(F)cc2)cc1OC ZINC000102727386 555022272 /nfs/dbraw/zinc/02/22/72/555022272.db2.gz BGDZUKBSOHXWDZ-HXUWFJFHSA-N 0 0 616.762 4.764 50 0 KJAARN COc1ccccc1CNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cccs2)c1 ZINC000102727422 555022285 /nfs/dbraw/zinc/02/22/85/555022285.db2.gz RZKKGZQFTYMOSK-OFNKIYASSA-N 0 0 554.672 4.724 50 0 KJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)cc1 ZINC000102727430 555022348 /nfs/dbraw/zinc/02/23/48/555022348.db2.gz SLFHHAKBDIOKSZ-FDFHNCONSA-N 0 0 517.994 4.912 50 0 KJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 ZINC000102727434 555022302 /nfs/dbraw/zinc/02/23/02/555022302.db2.gz SLFHHAKBDIOKSZ-BHIFYINESA-N 0 0 517.994 4.912 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000102728394 555022762 /nfs/dbraw/zinc/02/27/62/555022762.db2.gz VAXBMHDWOSLUSA-SQHAQQRYSA-N 0 0 621.713 4.834 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000102728428 555022869 /nfs/dbraw/zinc/02/28/69/555022869.db2.gz XUDPRANKYAQNJF-QPPBQGQZSA-N 0 0 622.678 4.765 50 0 KJAARN O=C(Nc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cccs1 ZINC000102728445 555022805 /nfs/dbraw/zinc/02/28/05/555022805.db2.gz WNDHKYFUQNLSSI-CTNGQTDRSA-N 0 0 568.655 4.809 50 0 KJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)c1 ZINC000102728463 555022822 /nfs/dbraw/zinc/02/28/22/555022822.db2.gz OOMMYEXRWKFMJF-BHDDXSALSA-N 0 0 517.994 4.912 50 0 KJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)c1 ZINC000102728467 555022811 /nfs/dbraw/zinc/02/28/11/555022811.db2.gz OOMMYEXRWKFMJF-YPAWHYETSA-N 0 0 517.994 4.912 50 0 KJAARN COc1cc(C(=O)Nc2cc(C(=O)NCc3cccs3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000102728640 555022848 /nfs/dbraw/zinc/02/28/48/555022848.db2.gz BBMLINDCAJLCCW-OFNKIYASSA-N 0 0 614.724 4.742 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)NCc3cccs3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000102728657 555022802 /nfs/dbraw/zinc/02/28/02/555022802.db2.gz OMNUEOKAQAFDFR-OFNKIYASSA-N 0 0 554.672 4.724 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCOC(C)C)cc1OC ZINC000102729071 555022967 /nfs/dbraw/zinc/02/29/67/555022967.db2.gz IYQVUOGGTJVUCB-UHFFFAOYSA-N 0 0 555.722 4.895 50 0 KJAARN O=C(CN(CCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000102729169 555023049 /nfs/dbraw/zinc/02/30/49/555023049.db2.gz HIDIUTNKSYEOSP-UHFFFAOYSA-N 0 0 598.524 4.668 50 0 KJAARN CCCNc1sc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(N)c1C(=O)Nc1ccccc1OCC ZINC000102729479 555023260 /nfs/dbraw/zinc/02/32/60/555023260.db2.gz WPPUQXVXBHCKDA-HXUWFJFHSA-N 0 0 528.503 4.704 50 0 KJAARN CCCNc1sc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(N)c1C(=O)Nc1ccccc1OCC ZINC000102729483 555023237 /nfs/dbraw/zinc/02/32/37/555023237.db2.gz WPPUQXVXBHCKDA-FQEVSTJZSA-N 0 0 528.503 4.704 50 0 KJAARN COCCNc1sc(C(=O)Nc2ccc(Br)c(C)c2)c(N)c1C(=O)Nc1cccc(C)c1C ZINC000102729922 555023288 /nfs/dbraw/zinc/02/32/88/555023288.db2.gz DITCCTIPAALWMJ-NRFANRHFSA-N 0 0 531.476 4.534 50 0 KJAARN COCCNc1sc(C(=O)Nc2ccc(Br)c(C)c2)c(N)c1C(=O)Nc1cccc(C)c1C ZINC000102729923 555023267 /nfs/dbraw/zinc/02/32/67/555023267.db2.gz DITCCTIPAALWMJ-OAQYLSRUSA-N 0 0 531.476 4.534 50 0 KJAARN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102730748 555023528 /nfs/dbraw/zinc/02/35/28/555023528.db2.gz YSHCDVHRSBXTKW-YTFSRNRJSA-N 0 0 509.356 4.517 50 0 KJAARN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102730756 555023517 /nfs/dbraw/zinc/02/35/17/555023517.db2.gz YSHCDVHRSBXTKW-DNVJHFABSA-N 0 0 509.356 4.517 50 0 KJAARN COc1ccc(CCNc2ccc(C(=O)N3CCN(C)CC3)cc2S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000102734261 555024694 /nfs/dbraw/zinc/02/46/94/555024694.db2.gz PAJFYFXYZCRBHX-UHFFFAOYSA-N 0 0 606.667 4.566 50 0 KJAARN O=S(=O)(CCN(CCn1cccn1)CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000102734608 555024597 /nfs/dbraw/zinc/02/45/97/555024597.db2.gz UBZHVHNNOQZFTC-UHFFFAOYSA-N 0 0 585.362 4.747 50 0 KJAARN CCOC(=O)c1ccc(-n2c(=O)c3sc(=S)n(-c4cccc(OC)c4)c3nc2SCC2OCCO2)cc1 ZINC000102734751 555024930 /nfs/dbraw/zinc/02/49/30/555024930.db2.gz SEAFSXHMXRCVIJ-UHFFFAOYSA-N 0 0 557.675 4.618 50 0 KJAARN CCOC(=O)CC(=O)CSc1nc2c(sc(=S)n2-c2cccc(OC)c2)c(=O)n1-c1ccc(C(=O)OCC)cc1 ZINC000102734855 555025011 /nfs/dbraw/zinc/02/50/11/555025011.db2.gz AZDIQPPIFPJZDD-UHFFFAOYSA-N 0 0 599.712 4.767 50 0 KJAARN O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000102736457 555026174 /nfs/dbraw/zinc/02/61/74/555026174.db2.gz LCXZCSHRMYPTQK-PCCBWWKXSA-N 0 0 521.957 4.743 50 0 KJAARN O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000102736459 555026113 /nfs/dbraw/zinc/02/61/13/555026113.db2.gz LCXZCSHRMYPTQK-QHAWAJNXSA-N 0 0 521.957 4.743 50 0 KJAARN COc1ccccc1-n1c(=O)c2sc(=S)n(CCc3ccccc3)c2nc1SCC(=O)N1CCCC1 ZINC000102736694 555026133 /nfs/dbraw/zinc/02/61/33/555026133.db2.gz GKDAEYQPKDULHB-UHFFFAOYSA-N 0 0 538.720 4.944 50 0 KJAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@@H]2C1=O ZINC000102736707 555026193 /nfs/dbraw/zinc/02/61/93/555026193.db2.gz YFLRBLNXCVATHI-FDFHNCONSA-N 0 0 517.994 4.912 50 0 KJAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C1=O ZINC000102736709 555026147 /nfs/dbraw/zinc/02/61/47/555026147.db2.gz YFLRBLNXCVATHI-BHIFYINESA-N 0 0 517.994 4.912 50 0 KJAARN COc1cc(OC)cc(N2C(=O)N(Cc3ccc(Br)cc3F)c3ccccc3S2(=O)=O)c1 ZINC000102736901 555026399 /nfs/dbraw/zinc/02/63/99/555026399.db2.gz WKNVKXFLBRXESN-UHFFFAOYSA-N 0 0 521.364 4.941 50 0 KJAARN CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3cccc(OC)c3)N2C1=O ZINC000102737493 555026733 /nfs/dbraw/zinc/02/67/33/555026733.db2.gz NYCVHNQSVPGSQA-PKTZIBPZSA-N 0 0 535.670 4.501 50 0 KJAARN CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3cccc(OC)c3)N2C1=O ZINC000102737495 555026731 /nfs/dbraw/zinc/02/67/31/555026731.db2.gz NYCVHNQSVPGSQA-GOTSBHOMSA-N 0 0 535.670 4.501 50 0 KJAARN CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3cccc(OC)c3)N2C1=O ZINC000102737498 555026691 /nfs/dbraw/zinc/02/66/91/555026691.db2.gz NYCVHNQSVPGSQA-DHIUTWEWSA-N 0 0 535.670 4.501 50 0 KJAARN CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3cccc(OC)c3)N2C1=O ZINC000102737499 555026695 /nfs/dbraw/zinc/02/66/95/555026695.db2.gz NYCVHNQSVPGSQA-XZOQPEGZSA-N 0 0 535.670 4.501 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2Cl)CC1 ZINC000102737626 555027006 /nfs/dbraw/zinc/02/70/06/555027006.db2.gz AEPDSOOJMKUVNA-UHFFFAOYSA-N 0 0 541.098 4.609 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102737739 555026961 /nfs/dbraw/zinc/02/69/61/555026961.db2.gz LHCTUQIDRAXZJE-SQHAQQRYSA-N 0 0 613.696 4.630 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102737742 555027001 /nfs/dbraw/zinc/02/70/01/555027001.db2.gz LHCTUQIDRAXZJE-SHQCIBLASA-N 0 0 613.696 4.630 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102737743 555026999 /nfs/dbraw/zinc/02/69/99/555026999.db2.gz LHCTUQIDRAXZJE-IGKIAQTJSA-N 0 0 613.696 4.630 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102737747 555026959 /nfs/dbraw/zinc/02/69/59/555026959.db2.gz LHCTUQIDRAXZJE-RPLLCQBOSA-N 0 0 613.696 4.630 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102737752 555026937 /nfs/dbraw/zinc/02/69/37/555026937.db2.gz AMEKDLKSXSZFJV-NAKRPHOHSA-N 0 0 611.724 4.607 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102737755 555027021 /nfs/dbraw/zinc/02/70/21/555027021.db2.gz AMEKDLKSXSZFJV-LEAFIULHSA-N 0 0 611.724 4.607 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102737759 555026945 /nfs/dbraw/zinc/02/69/45/555026945.db2.gz AMEKDLKSXSZFJV-LSYYVWMOSA-N 0 0 611.724 4.607 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102737762 555026974 /nfs/dbraw/zinc/02/69/74/555026974.db2.gz AMEKDLKSXSZFJV-LBNVMWSVSA-N 0 0 611.724 4.607 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000102738301 555027136 /nfs/dbraw/zinc/02/71/36/555027136.db2.gz NKPUFEGQVZEFIC-RSXGOPAZSA-N 0 0 569.687 4.901 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000102738304 555027221 /nfs/dbraw/zinc/02/72/21/555027221.db2.gz NKPUFEGQVZEFIC-AOYPEHQESA-N 0 0 569.687 4.901 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000102738308 555027148 /nfs/dbraw/zinc/02/71/48/555027148.db2.gz NKPUFEGQVZEFIC-AHWVRZQESA-N 0 0 569.687 4.901 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000102738309 555027134 /nfs/dbraw/zinc/02/71/34/555027134.db2.gz NKPUFEGQVZEFIC-AZGAKELHSA-N 0 0 569.687 4.901 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102738419 555027218 /nfs/dbraw/zinc/02/72/18/555027218.db2.gz DSYXCMFLYQSGKZ-FTJBHMTQSA-N 0 0 569.687 4.901 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102738421 555027141 /nfs/dbraw/zinc/02/71/41/555027141.db2.gz DSYXCMFLYQSGKZ-CLJLJLNGSA-N 0 0 569.687 4.901 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102738422 555027135 /nfs/dbraw/zinc/02/71/35/555027135.db2.gz DSYXCMFLYQSGKZ-UIOOFZCWSA-N 0 0 569.687 4.901 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102738424 555027190 /nfs/dbraw/zinc/02/71/90/555027190.db2.gz DSYXCMFLYQSGKZ-IZZNHLLZSA-N 0 0 569.687 4.901 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102738538 555027452 /nfs/dbraw/zinc/02/74/52/555027452.db2.gz AGGAKHVDCFUQJF-SXOMAYOGSA-N 0 0 567.715 4.878 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102738543 555027535 /nfs/dbraw/zinc/02/75/35/555027535.db2.gz AGGAKHVDCFUQJF-KAYWLYCHSA-N 0 0 567.715 4.878 50 0 KJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102738548 555027492 /nfs/dbraw/zinc/02/74/92/555027492.db2.gz AGGAKHVDCFUQJF-SVBPBHIXSA-N 0 0 567.715 4.878 50 0 KJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102738552 555027538 /nfs/dbraw/zinc/02/75/38/555027538.db2.gz AGGAKHVDCFUQJF-RRPNLBNLSA-N 0 0 567.715 4.878 50 0 KJAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000102738688 555027532 /nfs/dbraw/zinc/02/75/32/555027532.db2.gz PEFITKVMFKILRF-RUZDIDTESA-N 0 0 573.650 4.651 50 0 KJAARN CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000102738691 555027510 /nfs/dbraw/zinc/02/75/10/555027510.db2.gz PEFITKVMFKILRF-VWLOTQADSA-N 0 0 573.650 4.651 50 0 KJAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Cl)cc2)CC1 ZINC000102738841 555027460 /nfs/dbraw/zinc/02/74/60/555027460.db2.gz WEGAXERRDGETJE-UHFFFAOYSA-N 0 0 527.071 4.550 50 0 KJAARN O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000102739013 555027740 /nfs/dbraw/zinc/02/77/40/555027740.db2.gz DWWLVIKURROSHB-UHFFFAOYSA-N 0 0 595.096 4.605 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000102739179 555027645 /nfs/dbraw/zinc/02/76/45/555027645.db2.gz DAKHFGPZYDVLOM-UHFFFAOYSA-N 0 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ZINC000102772606 555061407 /nfs/dbraw/zinc/06/14/07/555061407.db2.gz RESOPFKIANIJCB-UHFFFAOYSA-N 0 0 530.650 4.896 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000102772821 555061681 /nfs/dbraw/zinc/06/16/81/555061681.db2.gz YKVXFQBSQYHKGD-UHFFFAOYSA-N 0 0 557.047 4.916 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000102772834 555061716 /nfs/dbraw/zinc/06/17/16/555061716.db2.gz UHSVPGQDYNPPGM-UHFFFAOYSA-N 0 0 536.629 4.571 50 0 KJAARN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000102772850 555061674 /nfs/dbraw/zinc/06/16/74/555061674.db2.gz YFGJHGGUVNGCPF-UHFFFAOYSA-N 0 0 543.020 4.990 50 0 KJAARN COCCn1c(CN(CC2CC2)C(=O)Nc2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000102772945 555061705 /nfs/dbraw/zinc/06/17/05/555061705.db2.gz LMUCPDSXGGBCHS-UHFFFAOYSA-N 0 0 535.041 4.740 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000102772950 555061849 /nfs/dbraw/zinc/06/18/49/555061849.db2.gz INGOWXFZFVQBSR-UHFFFAOYSA-N 0 0 539.057 4.777 50 0 KJAARN O=C(NCCCN1CCOCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102773289 555061826 /nfs/dbraw/zinc/06/18/26/555061826.db2.gz DQVHTSNPRNPNNL-RRAHZORUSA-N 0 0 532.040 4.759 50 0 KJAARN CSc1cccc(NC(=S)Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000102773357 555061814 /nfs/dbraw/zinc/06/18/14/555061814.db2.gz IBPYVNJIGBEXBF-SFLYRZDNSA-N 0 0 589.787 4.912 50 0 KJAARN Cc1cc(C)cc(NC(=S)Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000102773479 555061929 /nfs/dbraw/zinc/06/19/29/555061929.db2.gz BQEXAZTTWZJYSJ-CWDLOFLHSA-N 0 0 571.747 4.807 50 0 KJAARN COc1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)cc1OC ZINC000102776282 555062830 /nfs/dbraw/zinc/06/28/30/555062830.db2.gz OCNOOFDVIZQYEQ-UHFFFAOYSA-N 0 0 574.703 4.707 50 0 KJAARN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102776622 555062916 /nfs/dbraw/zinc/06/29/16/555062916.db2.gz IQUHXFHRBYUFTH-ZKQAZLPASA-N 0 0 528.008 4.753 50 0 KJAARN C[C@]12C=C[C@]3(O1)[C@@H](C(=O)N(Cc1ccco1)[C@@H]3C(=O)NC1CCCCC1)[C@@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000102776809 555063123 /nfs/dbraw/zinc/06/31/23/555063123.db2.gz YODOFTYFERKAKE-QPUQPBFLSA-N 0 0 558.462 4.715 50 0 biogenic KJAARN C[C@]12C=C[C@]3(O1)[C@@H](C(=O)N(Cc1ccco1)[C@@H]3C(=O)NC1CCCCC1)[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000102776815 555063109 /nfs/dbraw/zinc/06/31/09/555063109.db2.gz YODOFTYFERKAKE-VAUXNZGVSA-N 0 0 558.462 4.715 50 0 biogenic KJAARN COc1ccc(C)cc1NC(=O)[C@H]1[C@H]2C(=O)N([C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)c3ccc(Cl)cc3)C[C@@]23C=C[C@@H]1O3 ZINC000102777289 555063115 /nfs/dbraw/zinc/06/31/15/555063115.db2.gz ULZJOZUCZBEJHR-HRFFQQBXSA-N 0 0 578.109 4.814 50 0 biogenic KJAARN O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1F ZINC000102777332 555063103 /nfs/dbraw/zinc/06/31/03/555063103.db2.gz ZIALBPJZPFEAKK-IBGZPJMESA-N 0 0 524.326 4.507 50 0 KJAARN Cc1cccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCC(=O)c2ccc3ccccc3c2)c1 ZINC000102777360 555063366 /nfs/dbraw/zinc/06/33/66/555063366.db2.gz SPXUXGFZJBACGA-NDEPHWFRSA-N 0 0 526.614 4.945 50 0 KJAARN COC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 ZINC000102777622 555063343 /nfs/dbraw/zinc/06/33/43/555063343.db2.gz IIJGMNXENOBYHH-DEOSSOPVSA-N 0 0 597.715 4.745 50 0 KJAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccc(C)cc1 ZINC000102777734 555063622 /nfs/dbraw/zinc/06/36/22/555063622.db2.gz UBDJLQKLJWDIBW-QHCPKHFHSA-N 0 0 584.716 4.852 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)[C@@H](NC(=O)/C=C\c1ccc(OC)cc1)C(C)C ZINC000102777831 1066512278 /nfs/dbraw/zinc/51/22/78/1066512278.db2.gz CETGLUXCUQKLKS-LAGAIYJSSA-N 0 0 564.660 4.936 50 0 KJAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)[C@@H](NC(=O)Cc1cccc2ccccc21)C(C)C ZINC000102778056 555064155 /nfs/dbraw/zinc/06/41/55/555064155.db2.gz DJEXABVZLZALMN-SANMLTNESA-N 0 0 536.650 4.821 50 0 KJAARN COCCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=S)Nc2ccc(C)c(C)c2)c1 ZINC000102778065 555064100 /nfs/dbraw/zinc/06/41/00/555064100.db2.gz GJQREWFEKBLXBC-VWNXMTODSA-N 0 0 559.736 4.664 50 0 KJAARN CSc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)C2=O)cc1 ZINC000102778074 555064132 /nfs/dbraw/zinc/06/41/32/555064132.db2.gz XRESUYLQWSKOON-UKQGIEBLSA-N 0 0 532.087 4.669 50 0 KJAARN Cc1ccc(C2=NN(C(=O)COC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)[C@H](c3ccco3)C2)cc1 ZINC000102778184 555064105 /nfs/dbraw/zinc/06/41/05/555064105.db2.gz PYZYSKUSALZELR-NSOVKSMOSA-N 0 0 561.594 4.716 50 0 KJAARN Cc1ccc(C2=NN(C(=O)COC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)[C@@H](c3ccco3)C2)cc1 ZINC000102778186 555064354 /nfs/dbraw/zinc/06/43/54/555064354.db2.gz PYZYSKUSALZELR-IZLXSDGUSA-N 0 0 561.594 4.716 50 0 KJAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C ZINC000102778468 555064576 /nfs/dbraw/zinc/06/45/76/555064576.db2.gz UKGISKRXXWMBPC-NRFANRHFSA-N 0 0 532.615 4.729 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1 ZINC000102778567 555064560 /nfs/dbraw/zinc/06/45/60/555064560.db2.gz PBYDMFOGKZZNNM-XCZPVHLTSA-N 0 0 531.584 4.510 50 0 KJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1 ZINC000102778570 555064556 /nfs/dbraw/zinc/06/45/56/555064556.db2.gz PBYDMFOGKZZNNM-IAPPQJPRSA-N 0 0 531.584 4.510 50 0 KJAARN CCOc1ccc(/C=C2/Sc3ccc(C(=O)N4CCN(c5ccccn5)CC4)cc3N(C)C2=O)cc1OC ZINC000102779307 555065196 /nfs/dbraw/zinc/06/51/96/555065196.db2.gz QHRXRJMWAWOCSI-NLRVBDNBSA-N 0 0 530.650 4.561 50 0 KJAARN CCCN1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)CC1 ZINC000102779652 555065297 /nfs/dbraw/zinc/06/52/97/555065297.db2.gz HBNOXXPWJLFSQM-UHFFFAOYSA-N 0 0 538.069 4.501 50 0 KJAARN CCCCN(CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(CC)CCCC)cc21)c1ccccc1 ZINC000102781369 555066249 /nfs/dbraw/zinc/06/62/49/555066249.db2.gz NFPMIHQAYXTNDC-UHFFFAOYSA-N 0 0 540.730 4.765 50 0 KJAARN COc1ccccc1N1CCN(c2ncnc3sc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c(C)c32)CC1 ZINC000102783921 555066886 /nfs/dbraw/zinc/06/68/86/555066886.db2.gz LBVFHAYFAXDLJC-UHFFFAOYSA-N 0 0 563.127 4.951 50 0 KJAARN Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12 ZINC000102784303 555067256 /nfs/dbraw/zinc/06/72/56/555067256.db2.gz MLTFPSJWUVGJCO-UHFFFAOYSA-N 0 0 534.636 4.567 50 0 KJAARN Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000102784306 555067246 /nfs/dbraw/zinc/06/72/46/555067246.db2.gz LXHHHJAZQQNJCN-UHFFFAOYSA-N 0 0 533.101 4.942 50 0 KJAARN CCCCN(CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)c1ccccc1 ZINC000102785019 555067499 /nfs/dbraw/zinc/06/74/99/555067499.db2.gz CUYJCRNAUCIBAI-UHFFFAOYSA-N 0 0 538.714 4.519 50 0 KJAARN CCCCN(CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21)c1ccccc1 ZINC000102785126 555067529 /nfs/dbraw/zinc/06/75/29/555067529.db2.gz AZABILWINVDWIA-QFIPXVFZSA-N 0 0 538.714 4.518 50 0 KJAARN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12 ZINC000102785526 555067459 /nfs/dbraw/zinc/06/74/59/555067459.db2.gz PDEYCPZCVILYRH-UHFFFAOYSA-N 0 0 534.636 4.567 50 0 KJAARN CCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)cc1)Cc1ccc(F)cc1 ZINC000102786800 555067708 /nfs/dbraw/zinc/06/77/08/555067708.db2.gz FSENXVYWUKNSDE-UHFFFAOYSA-N 0 0 547.631 4.566 50 0 KJAARN O=C(NC[C@@H]1CCCO1)[C@H](Sc1nnc(S[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)s1)c1ccccc1 ZINC000102788727 555068462 /nfs/dbraw/zinc/06/84/62/555068462.db2.gz CFAOHVPTCDLBFA-NEWJYFPISA-N 0 0 584.789 4.795 50 0 KJAARN CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCc3ccc(OCC)cc3)c2c1 ZINC000102791842 555069257 /nfs/dbraw/zinc/06/92/57/555069257.db2.gz LHENMKQPYIYAHK-UHFFFAOYSA-N 0 0 532.666 4.746 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NC(c3ccccc3)c3ccccc3)cc21 ZINC000102792779 555069500 /nfs/dbraw/zinc/06/95/00/555069500.db2.gz AFBOBSNXBBRPSW-UHFFFAOYSA-N 0 0 555.494 4.818 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(Br)c(C)c3)cc21 ZINC000102792837 555069660 /nfs/dbraw/zinc/06/96/60/555069660.db2.gz QVWVEPIKBUYOIZ-UHFFFAOYSA-N 0 0 558.292 4.622 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(C)cc3Br)cc21 ZINC000102792860 555069631 /nfs/dbraw/zinc/06/96/31/555069631.db2.gz WEKOHGVWPOSTTO-UHFFFAOYSA-N 0 0 558.292 4.622 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(Br)cc3C)cc21 ZINC000102792863 555069657 /nfs/dbraw/zinc/06/96/57/555069657.db2.gz NMWQNIUUVPZRHY-UHFFFAOYSA-N 0 0 558.292 4.622 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(N(CC)CC)cc3C)cc21 ZINC000102792869 555069620 /nfs/dbraw/zinc/06/96/20/555069620.db2.gz VNVAFRJRHLGGDJ-UHFFFAOYSA-N 0 0 550.519 4.705 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000102792880 555069645 /nfs/dbraw/zinc/06/96/45/555069645.db2.gz MZWUFOKMMYJEAZ-UHFFFAOYSA-N 0 0 533.366 4.570 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000102792887 555069610 /nfs/dbraw/zinc/06/96/10/555069610.db2.gz SMDPZHSEDXSCHQ-UHFFFAOYSA-N 0 0 533.366 4.570 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Br)cc4)CC3)cc21 ZINC000102792931 555069912 /nfs/dbraw/zinc/06/99/12/555069912.db2.gz VNNXXUBSWZNCHA-UHFFFAOYSA-N 0 0 599.345 4.550 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4Br)CC3)cc21 ZINC000102792948 555069967 /nfs/dbraw/zinc/06/99/67/555069967.db2.gz FSPWMMLSURUSNX-UHFFFAOYSA-N 0 0 599.345 4.550 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(c4nnc(-c5ccc(C)cc5)o4)CC3)cc21 ZINC000102792954 555069927 /nfs/dbraw/zinc/06/99/27/555069927.db2.gz QENCKPVYRYAUKG-UHFFFAOYSA-N 0 0 559.486 4.675 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)N(C)c4ccc(Br)cc4)C3)cc21 ZINC000102792962 555069956 /nfs/dbraw/zinc/06/99/56/555069956.db2.gz UCCAAEBTLGGABR-KRWDZBQOSA-N 0 0 613.372 4.574 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N(C)c4ccc(Br)cc4)C3)cc21 ZINC000102792965 555069960 /nfs/dbraw/zinc/06/99/60/555069960.db2.gz UCCAAEBTLGGABR-QGZVFWFLSA-N 0 0 613.372 4.574 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4c(C)cccc4CC)C3)cc21 ZINC000102793105 555070580 /nfs/dbraw/zinc/07/05/80/555070580.db2.gz WTHDWKPJDOHPGF-HXUWFJFHSA-N 0 0 562.530 4.658 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4c(C)cccc4CC)C3)cc21 ZINC000102793107 555070568 /nfs/dbraw/zinc/07/05/68/555070568.db2.gz WTHDWKPJDOHPGF-FQEVSTJZSA-N 0 0 562.530 4.658 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cc(Cl)ccc4C)C3)cc21 ZINC000102793116 555070590 /nfs/dbraw/zinc/07/05/90/555070590.db2.gz WZXNZHHQPQMWII-KRWDZBQOSA-N 0 0 568.921 4.749 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4C)C3)cc21 ZINC000102793119 555070540 /nfs/dbraw/zinc/07/05/40/555070540.db2.gz WZXNZHHQPQMWII-QGZVFWFLSA-N 0 0 568.921 4.749 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(Br)c(C)c4)C3)cc21 ZINC000102793131 555070548 /nfs/dbraw/zinc/07/05/48/555070548.db2.gz OFUXIDLEXJNLDM-KRWDZBQOSA-N 0 0 613.372 4.859 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(Br)c(C)c4)C3)cc21 ZINC000102793133 555070502 /nfs/dbraw/zinc/07/05/02/555070502.db2.gz OFUXIDLEXJNLDM-QGZVFWFLSA-N 0 0 613.372 4.859 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)cc21 ZINC000102793136 555070529 /nfs/dbraw/zinc/07/05/29/555070529.db2.gz MSXVZPNCLMKMHG-KRWDZBQOSA-N 0 0 568.921 4.749 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)cc21 ZINC000102793138 555070605 /nfs/dbraw/zinc/07/06/05/555070605.db2.gz MSXVZPNCLMKMHG-QGZVFWFLSA-N 0 0 568.921 4.749 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)cc21 ZINC000102793157 555070510 /nfs/dbraw/zinc/07/05/10/555070510.db2.gz BGEWKSWSXUINEP-FQEVSTJZSA-N 0 0 562.530 4.911 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)cc21 ZINC000102793160 555070506 /nfs/dbraw/zinc/07/05/06/555070506.db2.gz BGEWKSWSXUINEP-HXUWFJFHSA-N 0 0 562.530 4.911 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C(F)(F)F)cc4)C3)cc21 ZINC000102793162 555070495 /nfs/dbraw/zinc/07/04/95/555070495.db2.gz DRTOFSLECSLAKW-INIZCTEOSA-N 0 0 588.446 4.806 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C(F)(F)F)cc4)C3)cc21 ZINC000102793165 555070559 /nfs/dbraw/zinc/07/05/59/555070559.db2.gz DRTOFSLECSLAKW-MRXNPFEDSA-N 0 0 588.446 4.806 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(Br)cc4C)C3)cc21 ZINC000102793181 555070734 /nfs/dbraw/zinc/07/07/34/555070734.db2.gz WYKUWTWTTUFPAJ-KRWDZBQOSA-N 0 0 613.372 4.859 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(Br)cc4C)C3)cc21 ZINC000102793184 555070715 /nfs/dbraw/zinc/07/07/15/555070715.db2.gz WYKUWTWTTUFPAJ-QGZVFWFLSA-N 0 0 613.372 4.859 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4Cl)C3)cc21 ZINC000102793187 555070738 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0 KJAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1c(F)ccc(F)c1Cl ZINC000102796192 555071471 /nfs/dbraw/zinc/07/14/71/555071471.db2.gz WKWBULFJQZEFBT-UHFFFAOYSA-N 0 0 546.061 4.708 50 0 KJAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccccc1Br ZINC000102796244 555071743 /nfs/dbraw/zinc/07/17/43/555071743.db2.gz QPLOIHJPXFEEKF-UHFFFAOYSA-N 0 0 554.532 4.539 50 0 KJAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccc(Br)cc1 ZINC000102796258 555071686 /nfs/dbraw/zinc/07/16/86/555071686.db2.gz XRCUTWNZTIMISF-UHFFFAOYSA-N 0 0 554.532 4.539 50 0 KJAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1c(F)cccc1Cl ZINC000102796305 555071746 /nfs/dbraw/zinc/07/17/46/555071746.db2.gz ZPWKJDVDALAZTD-UHFFFAOYSA-N 0 0 528.071 4.569 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(C(F)(F)F)cc1)n2C[C@@H]1CCCO1)N1CCOCC1 ZINC000102796407 555071725 /nfs/dbraw/zinc/07/17/25/555071725.db2.gz SQMJJGNLAAOZJH-IBGZPJMESA-N 0 0 541.617 4.547 50 0 KJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(C(F)(F)F)cc1)n2C[C@H]1CCCO1)N1CCOCC1 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CCC(=O)Nc1ccc(N2CCCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000102799619 555072383 /nfs/dbraw/zinc/07/23/83/555072383.db2.gz FTPOFEVBHGDFPD-UHFFFAOYSA-N 0 0 535.595 4.988 50 0 KJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2c(F)cccc2Cl)N3)CC1 ZINC000102802902 555072707 /nfs/dbraw/zinc/07/27/07/555072707.db2.gz TUQNKGMFXHNNCF-VWLOTQADSA-N 0 0 605.519 4.751 50 0 KJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2c(F)cccc2Cl)N3)CC1 ZINC000102802905 555072703 /nfs/dbraw/zinc/07/27/03/555072703.db2.gz TUQNKGMFXHNNCF-RUZDIDTESA-N 0 0 605.519 4.751 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc4nccc(-c5ccc(Cl)c(Cl)c5)n4n3)CC2)c(C)c1 ZINC000102806947 555073467 /nfs/dbraw/zinc/07/34/67/555073467.db2.gz PNAKVDQBAHKSLH-UHFFFAOYSA-N 0 0 531.469 4.534 50 0 KJAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc4nccc(-c5cc(Cl)ccc5Cl)n4n3)CC2)c(C)c1 ZINC000102806960 555073518 /nfs/dbraw/zinc/07/35/18/555073518.db2.gz OTVDHFPOJAPTPF-UHFFFAOYSA-N 0 0 531.469 4.534 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4cc(Cl)ccc4c4nnc(-c5cccc(C)c5)n43)CC2)cc1 ZINC000102807005 555073412 /nfs/dbraw/zinc/07/34/12/555073412.db2.gz UUKCUUMSXWLQGR-UHFFFAOYSA-N 0 0 533.057 4.726 50 0 KJAARN Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCN(S(=O)(=O)c5cccc(C)c5)CC4)n23)c1 ZINC000102807562 555073523 /nfs/dbraw/zinc/07/35/23/555073523.db2.gz ARWOOFBNLIXAQZ-UHFFFAOYSA-N 0 0 533.057 4.726 50 0 KJAARN CC(C)(C)c1ccc(-c2ccnc3nc(N4CCN(S(=O)(=O)c5cccc(C(F)(F)F)c5)CC4)nn32)cc1 ZINC000102809399 555074200 /nfs/dbraw/zinc/07/42/00/555074200.db2.gz SGHLDNRHXWBYKI-UHFFFAOYSA-N 0 0 544.603 4.619 50 0 KJAARN CC(C)c1ccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5cc(Cl)ccc5Cl)n4n3)CC2)cc1 ZINC000102809441 555074201 /nfs/dbraw/zinc/07/42/01/555074201.db2.gz WYTZNXMPODCMFK-UHFFFAOYSA-N 0 0 531.469 4.732 50 0 KJAARN CC(C)(C)c1ccc(-c2ccnc3nc(N4CCN(S(=O)(=O)c5ccccc5C(F)(F)F)CC4)nn32)cc1 ZINC000102809520 555074409 /nfs/dbraw/zinc/07/44/09/555074409.db2.gz WXGCOQGPZJOPAZ-UHFFFAOYSA-N 0 0 544.603 4.619 50 0 KJAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000102809590 555074521 /nfs/dbraw/zinc/07/45/21/555074521.db2.gz JBBLICSXGSALBP-UHFFFAOYSA-N 0 0 557.385 4.628 50 0 KJAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2nc3nccc(-c4ccc(Cl)c(Cl)c4)n3n2)CC1 ZINC000102809622 555074428 /nfs/dbraw/zinc/07/44/28/555074428.db2.gz QVZLPFGOQNOEKS-UHFFFAOYSA-N 0 0 557.385 4.628 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cc(C)oc4C(F)(F)F)CC3)cc2)n(-c2ccccn2)n1 ZINC000102810757 555074827 /nfs/dbraw/zinc/07/48/27/555074827.db2.gz GBUZGQZJOWZUBT-UHFFFAOYSA-N 0 0 553.541 4.994 50 0 KJAARN COc1cc(C(=O)Nc2cc3c(cc2C(=O)c2ccccc2I)OCCO3)cc(OC)c1OC ZINC000102811010 555075092 /nfs/dbraw/zinc/07/50/92/555075092.db2.gz WLXFIFPPQXBUOY-UHFFFAOYSA-N 0 0 575.355 4.572 50 0 KJAARN COc1cccc([C@@H](CNC(=O)C[C@H](NC(N)=O)c2ccc(Br)cc2)c2c[nH]c3ccccc32)c1OC ZINC000102811994 555075242 /nfs/dbraw/zinc/07/52/42/555075242.db2.gz LHQIKJPPJRFIAL-VWNXMTODSA-N 0 0 565.468 4.995 50 0 KJAARN 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O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C2CCC2)ccc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000102821591 555076880 /nfs/dbraw/zinc/07/68/80/555076880.db2.gz HDMDJUYDWHRTMJ-UHFFFAOYSA-N 0 0 547.606 4.988 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C2CC2)ccc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000102821606 555076866 /nfs/dbraw/zinc/07/68/66/555076866.db2.gz QIJGOXVICWEJTB-UHFFFAOYSA-N 0 0 533.579 4.597 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000102821623 555076854 /nfs/dbraw/zinc/07/68/54/555076854.db2.gz PNUPFSLVCVCMNO-UHFFFAOYSA-N 0 0 549.622 4.777 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000102821626 555076894 /nfs/dbraw/zinc/07/68/94/555076894.db2.gz LQQHGVNSUQSYRA-UHFFFAOYSA-N 0 0 537.661 4.700 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000102821645 555077074 /nfs/dbraw/zinc/07/70/74/555077074.db2.gz GUAIBXLTEXNCIW-UHFFFAOYSA-N 0 0 549.622 4.777 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000102821647 555077066 /nfs/dbraw/zinc/07/70/66/555077066.db2.gz PSNMNZBMXLQHCO-UHFFFAOYSA-N 0 0 549.622 4.777 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)C2CC2)ccc1N1CCCN(C(=O)Nc2ccccc2F)CC1 ZINC000102821795 555077051 /nfs/dbraw/zinc/07/70/51/555077051.db2.gz KDNNVZWYBUKNJB-UHFFFAOYSA-N 0 0 547.606 4.988 50 0 KJAARN CCS(=O)(=O)c1ccc(O)c(NC=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 ZINC000102823285 555077260 /nfs/dbraw/zinc/07/72/60/555077260.db2.gz ZPKMFOYWVKJNJF-XSFVSMFZSA-N 0 0 516.497 4.845 50 0 KJAARN Cc1ccccc1Nc1nc(N)nc(CN(Cc2nc(N)nc(Nc3ccccc3C)n2)C2CCCCCC2)n1 ZINC000102826841 555077729 /nfs/dbraw/zinc/07/77/29/555077729.db2.gz AJOIWDCPGCWDEF-UHFFFAOYSA-N 0 0 539.692 5.050 50 0 KJAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000102827253 555077930 /nfs/dbraw/zinc/07/79/30/555077930.db2.gz IEAJIRFVGUWSRO-KDOFPFPSSA-N 0 0 523.478 4.608 50 0 KJAARN 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CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000102827693 555078144 /nfs/dbraw/zinc/07/81/44/555078144.db2.gz OZGIQKWGBKYIRQ-KZULUSFZSA-N 0 0 532.420 4.871 50 0 KJAARN CC[C@H](C)[C@@H](NC(=O)Nc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000102827696 555078094 /nfs/dbraw/zinc/07/80/94/555078094.db2.gz OZGIQKWGBKYIRQ-KPZWWZAWSA-N 0 0 532.420 4.871 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000102830621 555078460 /nfs/dbraw/zinc/07/84/60/555078460.db2.gz RFUGNKTUPXEGRQ-UHFFFAOYSA-N 0 0 539.101 4.574 50 0 KJAARN Cc1ccccc1NC(=O)Cc1nc(CN(CCOCCO)Cc2csc(CC(=O)Nc3ccccc3C)n2)cs1 ZINC000102830951 555078714 /nfs/dbraw/zinc/07/87/14/555078714.db2.gz BLXUUJIXRXKXEH-UHFFFAOYSA-N 0 0 593.775 4.590 50 0 KJAARN Cc1nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000102831023 555078720 /nfs/dbraw/zinc/07/87/20/555078720.db2.gz MHUGRIFZGMKWQV-UHFFFAOYSA-N 0 0 614.738 4.793 50 0 KJAARN 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O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841663 555081807 /nfs/dbraw/zinc/08/18/07/555081807.db2.gz WMHLLFFQWYAHND-AREMUKBSSA-N 0 0 556.501 4.972 50 0 KJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841668 555081802 /nfs/dbraw/zinc/08/18/02/555081802.db2.gz WMHLLFFQWYAHND-SANMLTNESA-N 0 0 556.501 4.972 50 0 KJAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102841734 555082051 /nfs/dbraw/zinc/08/20/51/555082051.db2.gz SSAWYQLXYGSULX-OAQYLSRUSA-N 0 0 536.076 4.643 50 0 KJAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102841738 555081968 /nfs/dbraw/zinc/08/19/68/555081968.db2.gz SSAWYQLXYGSULX-NRFANRHFSA-N 0 0 536.076 4.643 50 0 KJAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102841746 555082012 /nfs/dbraw/zinc/08/20/12/555082012.db2.gz SRBLZHSFOCGSIF-OAQYLSRUSA-N 0 0 566.102 4.651 50 0 KJAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102841748 555082061 /nfs/dbraw/zinc/08/20/61/555082061.db2.gz SRBLZHSFOCGSIF-NRFANRHFSA-N 0 0 566.102 4.651 50 0 KJAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102841754 555082083 /nfs/dbraw/zinc/08/20/83/555082083.db2.gz FXNKEWMNPPJKDQ-OAQYLSRUSA-N 0 0 536.076 4.643 50 0 KJAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102841758 555082076 /nfs/dbraw/zinc/08/20/76/555082076.db2.gz FXNKEWMNPPJKDQ-NRFANRHFSA-N 0 0 536.076 4.643 50 0 KJAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)cc21 ZINC000102843046 555082912 /nfs/dbraw/zinc/08/29/12/555082912.db2.gz ZCZMGZDEROPIAN-UHFFFAOYSA-N 0 0 548.503 4.521 50 0 KJAARN CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)CC)C2)c1 ZINC000102843365 555083316 /nfs/dbraw/zinc/08/33/16/555083316.db2.gz HJUVXSFXAGBDIA-IBGZPJMESA-N 0 0 608.555 4.585 50 0 KJAARN CCOc1ccc(OCC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)CC)C2)c1 ZINC000102843370 555083364 /nfs/dbraw/zinc/08/33/64/555083364.db2.gz HJUVXSFXAGBDIA-LJQANCHMSA-N 0 0 608.555 4.585 50 0 KJAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000102843568 555083601 /nfs/dbraw/zinc/08/36/01/555083601.db2.gz LNLZEWRKUYUTQP-UHFFFAOYSA-N 0 0 545.377 4.570 50 0 KJAARN CCN(C(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)c1ccc(C)c(C)c1 ZINC000102843571 555083611 /nfs/dbraw/zinc/08/36/11/555083611.db2.gz GNWHQIQOTHZBKG-UHFFFAOYSA-N 0 0 533.488 4.582 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000102843607 555083674 /nfs/dbraw/zinc/08/36/74/555083674.db2.gz VCUJLUXODASXEI-UHFFFAOYSA-N 0 0 525.852 4.513 50 0 KJAARN Cc1cc(Br)ccc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000102843622 555083650 /nfs/dbraw/zinc/08/36/50/555083650.db2.gz IVAKLNGGRRZJDH-UHFFFAOYSA-N 0 0 570.303 4.622 50 0 KJAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(Br)c1 ZINC000102843637 555083695 /nfs/dbraw/zinc/08/36/95/555083695.db2.gz OPRGJXJRZMCZFL-UHFFFAOYSA-N 0 0 570.303 4.622 50 0 KJAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(Cl)c1 ZINC000102843648 555083817 /nfs/dbraw/zinc/08/38/17/555083817.db2.gz SHQSNIXPUZNYHW-UHFFFAOYSA-N 0 0 525.852 4.513 50 0 KJAARN Cc1cc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)ccc1Br ZINC000102843686 555083867 /nfs/dbraw/zinc/08/38/67/555083867.db2.gz HKGHCUBPBOQNJM-UHFFFAOYSA-N 0 0 570.303 4.622 50 0 KJAARN CCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000102843690 555083841 /nfs/dbraw/zinc/08/38/41/555083841.db2.gz DCRRPXMEYJYINV-UHFFFAOYSA-N 0 0 533.488 4.676 50 0 KJAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1Cl ZINC000102843711 555083847 /nfs/dbraw/zinc/08/38/47/555083847.db2.gz CPWSAAZLZKZROO-UHFFFAOYSA-N 0 0 525.852 4.513 50 0 KJAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102843715 555083803 /nfs/dbraw/zinc/08/38/03/555083803.db2.gz XNZBLFGMLNORRN-UHFFFAOYSA-N 0 0 545.377 4.570 50 0 KJAARN CCOc1ccc2nc(NC(=O)CCS(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)sc2c1 ZINC000102843726 555083869 /nfs/dbraw/zinc/08/38/69/555083869.db2.gz NTSIRBJJHAURNF-UHFFFAOYSA-N 0 0 578.510 4.559 50 0 KJAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000102844277 555084034 /nfs/dbraw/zinc/08/40/34/555084034.db2.gz RLDMDMMOTXNHSD-QFIPXVFZSA-N 0 0 546.674 4.538 50 0 KJAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 ZINC000102844278 555084074 /nfs/dbraw/zinc/08/40/74/555084074.db2.gz RLDMDMMOTXNHSD-JOCHJYFZSA-N 0 0 546.674 4.538 50 0 KJAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000102844320 555084174 /nfs/dbraw/zinc/08/41/74/555084174.db2.gz WULQJRMJEOINAR-OAQYLSRUSA-N 0 0 538.992 4.571 50 0 KJAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000102844323 555084159 /nfs/dbraw/zinc/08/41/59/555084159.db2.gz WULQJRMJEOINAR-NRFANRHFSA-N 0 0 538.992 4.571 50 0 KJAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CC=C(c4c(C)n(CC(=O)N5CCCC5)c5ccccc54)CC3)cc21 ZINC000102844328 555084146 /nfs/dbraw/zinc/08/41/46/555084146.db2.gz KKHHUUCXYCPWNS-UHFFFAOYSA-N 0 0 625.589 4.722 50 0 KJAARN CCOC(=O)c1c(C)oc2nc(CN(Cc3nc4oc(C)c(C(=O)OCC)c4c(N)n3)[C@@H](C)c3ccccc3OC)nc(N)c21 ZINC000102844914 555084049 /nfs/dbraw/zinc/08/40/49/555084049.db2.gz XLPFIPJYRXHOKP-HNNXBMFYSA-N 0 0 617.663 4.666 50 0 KJAARN CCOC(=O)c1c(C)oc2nc(CN(Cc3nc4oc(C)c(C(=O)OCC)c4c(N)n3)[C@H](C)c3ccccc3OC)nc(N)c21 ZINC000102844916 555084144 /nfs/dbraw/zinc/08/41/44/555084144.db2.gz XLPFIPJYRXHOKP-OAHLLOKOSA-N 0 0 617.663 4.666 50 0 KJAARN COc1ccc(-c2cnnn2-c2ccc(C(=O)COC(=O)COc3ccccc3Br)cc2)cc1 ZINC000102845276 555084080 /nfs/dbraw/zinc/08/40/80/555084080.db2.gz DWGIIXUYNXMKBO-UHFFFAOYSA-N 0 0 522.355 4.510 50 0 KJAARN CN1C2=C(C(=O)N([C@H](C(=O)NCCc3ccccn3)c3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102847524 555084307 /nfs/dbraw/zinc/08/43/07/555084307.db2.gz LCFSLBSFUGHYJA-CONSDPRKSA-N 0 0 573.653 4.767 50 0 KJAARN CN1C2=C(C(=O)N([C@H](C(=O)NCCc3ccccn3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102847527 555084267 /nfs/dbraw/zinc/08/42/67/555084267.db2.gz LCFSLBSFUGHYJA-JSOSNVBQSA-N 0 0 573.653 4.767 50 0 KJAARN CN1C2=C(C(=O)N([C@@H](C(=O)NCCc3ccccn3)c3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102847530 555084316 /nfs/dbraw/zinc/08/43/16/555084316.db2.gz LCFSLBSFUGHYJA-IOWSJCHKSA-N 0 0 573.653 4.767 50 0 KJAARN CN1C2=C(C(=O)N([C@@H](C(=O)NCCc3ccccn3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102847533 555084339 /nfs/dbraw/zinc/08/43/39/555084339.db2.gz LCFSLBSFUGHYJA-FIRIVFDPSA-N 0 0 573.653 4.767 50 0 KJAARN CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCc3ccccn3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102847615 555084348 /nfs/dbraw/zinc/08/43/48/555084348.db2.gz AXQFSRFEUXCUMP-NYDCQLBNSA-N 0 0 587.680 4.637 50 0 KJAARN CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCc3ccccn3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102847616 555084279 /nfs/dbraw/zinc/08/42/79/555084279.db2.gz AXQFSRFEUXCUMP-BHDXBOSCSA-N 0 0 587.680 4.637 50 0 KJAARN CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCc3ccccn3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102847618 555084562 /nfs/dbraw/zinc/08/45/62/555084562.db2.gz AXQFSRFEUXCUMP-PPTMTGTBSA-N 0 0 587.680 4.637 50 0 KJAARN CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCc3ccccn3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102847620 555084539 /nfs/dbraw/zinc/08/45/39/555084539.db2.gz AXQFSRFEUXCUMP-QLWXXVCSSA-N 0 0 587.680 4.637 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(C(=O)OC)cc1OC)n2Cc1ccco1 ZINC000102847625 555084516 /nfs/dbraw/zinc/08/45/16/555084516.db2.gz IFCDZAYJGJQUPB-UHFFFAOYSA-N 0 0 543.667 4.796 50 0 KJAARN COc1ccc(C(=O)N(Cc2ccco2)Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2C[C@@H]2CCCO2)cc1 ZINC000102847775 555084505 /nfs/dbraw/zinc/08/45/05/555084505.db2.gz PEQAHIDBUVVWAF-SANMLTNESA-N 0 0 567.639 4.619 50 0 KJAARN COc1ccc(C(=O)N(Cc2ccco2)Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2C[C@H]2CCCO2)cc1 ZINC000102847776 555084578 /nfs/dbraw/zinc/08/45/78/555084578.db2.gz PEQAHIDBUVVWAF-AREMUKBSSA-N 0 0 567.639 4.619 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N(Cc2nc3c(C)cccc3c(=O)[nH]2)Cc2nc3c(C)cccc3c(=O)[nH]2)cc1 ZINC000102849570 555084997 /nfs/dbraw/zinc/08/49/97/555084997.db2.gz BGZKSGMLMAXEIJ-JOCHJYFZSA-N 0 0 600.745 4.570 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N(Cc2nc3c(C)cccc3c(=O)[nH]2)Cc2nc3c(C)cccc3c(=O)[nH]2)cc1 ZINC000102849573 555084963 /nfs/dbraw/zinc/08/49/63/555084963.db2.gz BGZKSGMLMAXEIJ-QFIPXVFZSA-N 0 0 600.745 4.570 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102849766 555085000 /nfs/dbraw/zinc/08/50/00/555085000.db2.gz YZJIPWKICZABDD-OAQYLSRUSA-N 0 0 566.102 4.794 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102849770 555085010 /nfs/dbraw/zinc/08/50/10/555085010.db2.gz YZJIPWKICZABDD-NRFANRHFSA-N 0 0 566.102 4.794 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102849781 555084980 /nfs/dbraw/zinc/08/49/80/555084980.db2.gz GCYIDKXMEQFZNO-OAQYLSRUSA-N 0 0 536.076 4.785 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102849782 555084994 /nfs/dbraw/zinc/08/49/94/555084994.db2.gz GCYIDKXMEQFZNO-NRFANRHFSA-N 0 0 536.076 4.785 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000102850252 555085353 /nfs/dbraw/zinc/08/53/53/555085353.db2.gz LSNDQXUHNSPQMS-HXUWFJFHSA-N 0 0 550.059 4.505 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000102850254 555085373 /nfs/dbraw/zinc/08/53/73/555085373.db2.gz LSNDQXUHNSPQMS-FQEVSTJZSA-N 0 0 550.059 4.505 50 0 KJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000102850608 555085555 /nfs/dbraw/zinc/08/55/55/555085555.db2.gz FXPIVVYJSKUXAQ-UHFFFAOYSA-N 0 0 547.662 4.949 50 0 KJAARN CS(=O)(=O)c1ccc(NC(=O)CSC2=NN/C(=C3/C=Nc4ccccc43)N2c2ccc(Cl)cc2)cc1 ZINC000102850610 1066512163 /nfs/dbraw/zinc/51/21/63/1066512163.db2.gz CVMUFNNSIMKAQP-DARPEHSRSA-N 0 0 538.054 4.881 50 0 KJAARN CC(C)(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@@H]4CCCO4)co3)cc2[C@@H]1c1cccc(F)c1 ZINC000102851505 555086011 /nfs/dbraw/zinc/08/60/11/555086011.db2.gz BSWVHKVEMJKTRU-HOFKKMOUSA-N 0 0 535.616 4.822 50 0 KJAARN CC(C)(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@@H]4CCCO4)co3)cc2[C@H]1c1cccc(F)c1 ZINC000102851509 555086016 /nfs/dbraw/zinc/08/60/16/555086016.db2.gz BSWVHKVEMJKTRU-WNCULLNHSA-N 0 0 535.616 4.822 50 0 KJAARN CC(C)(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@H]4CCCO4)co3)cc2[C@@H]1c1cccc(F)c1 ZINC000102851513 555085980 /nfs/dbraw/zinc/08/59/80/555085980.db2.gz BSWVHKVEMJKTRU-KCWPFWIISA-N 0 0 535.616 4.822 50 0 KJAARN CC(C)(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@H]4CCCO4)co3)cc2[C@H]1c1cccc(F)c1 ZINC000102851516 555086041 /nfs/dbraw/zinc/08/60/41/555086041.db2.gz BSWVHKVEMJKTRU-YIXXDRMTSA-N 0 0 535.616 4.822 50 0 KJAARN COCCNC(=O)c1csc(COc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)c2ccco2)CC3)n1 ZINC000102851612 555086019 /nfs/dbraw/zinc/08/60/19/555086019.db2.gz YKCIJSOKUPGESK-SANMLTNESA-N 0 0 535.597 4.618 50 0 KJAARN COCCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)c2ccco2)CC3)n1 ZINC000102851613 555086005 /nfs/dbraw/zinc/08/60/05/555086005.db2.gz YKCIJSOKUPGESK-AREMUKBSSA-N 0 0 535.597 4.618 50 0 KJAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc2c(c1)nnn2CC(=O)Nc1ccc(Cl)cc1C ZINC000102851777 555085965 /nfs/dbraw/zinc/08/59/65/555085965.db2.gz HYQNJKQCFISFTC-UHFFFAOYSA-N 0 0 526.380 4.789 50 0 KJAARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)ccc1OCc1ccccc1 ZINC000102852701 555086219 /nfs/dbraw/zinc/08/62/19/555086219.db2.gz YISORCDPNOYONT-PMERELPUSA-N 0 0 590.746 4.965 50 0 KJAARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)ccc1OCc1ccccc1 ZINC000102852703 555086263 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COc1ccccc1CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3OC)C[C@H]12 ZINC000102901778 555140276 /nfs/dbraw/zinc/14/02/76/555140276.db2.gz NYHRBVUAPRITLE-ZEQKJWHPSA-N 0 0 539.598 4.949 50 0 KJAARN COc1ccccc1CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3OC)C[C@H]12 ZINC000102901780 555140180 /nfs/dbraw/zinc/14/01/80/555140180.db2.gz NYHRBVUAPRITLE-JYFHCDHNSA-N 0 0 539.598 4.949 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCN(c5ccccc5F)CC4)n3c2=O)nn1-c1ccccc1C ZINC000102902374 555140432 /nfs/dbraw/zinc/14/04/32/555140432.db2.gz WULDFNAUKQNMMJ-UHFFFAOYSA-N 0 0 556.667 4.564 50 0 KJAARN CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)N4CCN(Cc5ccccc5)CC4)n3c2=O)cc1C ZINC000102902478 555140470 /nfs/dbraw/zinc/14/04/70/555140470.db2.gz GYXSBGFCZWHVFM-UHFFFAOYSA-N 0 0 566.731 4.675 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCN(Cc5ccccc5)CC4)n3c2=O)nn1-c1cc(F)ccc1C ZINC000102902497 555140445 /nfs/dbraw/zinc/14/04/45/555140445.db2.gz UIVGBWPNRDNSEI-UHFFFAOYSA-N 0 0 570.694 4.560 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCN(c5ccccc5F)CC4)n3c2=O)nn1-c1cc(F)ccc1C ZINC000102902499 555140502 /nfs/dbraw/zinc/14/05/02/555140502.db2.gz RAHQJQMYLXCZBB-UHFFFAOYSA-N 0 0 574.657 4.703 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCN(c5ccccc5F)CC4)n3c2=O)nn1-c1cccc(C)c1 ZINC000102902516 555140712 /nfs/dbraw/zinc/14/07/12/555140712.db2.gz URTOQJLINBALAX-UHFFFAOYSA-N 0 0 556.667 4.564 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCN(c5ccccc5F)CC4)n3c2=O)nn1-c1cc(C)ccc1C ZINC000102902528 555140806 /nfs/dbraw/zinc/14/08/06/555140806.db2.gz PUCVJHRWAMJLMS-UHFFFAOYSA-N 0 0 570.694 4.873 50 0 KJAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCN(c5ccccc5F)CC4)n3c2=O)nn1-c1cccc(C)c1C ZINC000102902532 555140814 /nfs/dbraw/zinc/14/08/14/555140814.db2.gz KYFVYBHRJHCCFW-UHFFFAOYSA-N 0 0 570.694 4.873 50 0 KJAARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000102902571 555140786 /nfs/dbraw/zinc/14/07/86/555140786.db2.gz QAUXTWROSXSXBG-AWEZNQCLSA-N 0 0 566.909 4.701 50 0 KJAARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000102902573 555140746 /nfs/dbraw/zinc/14/07/46/555140746.db2.gz QAUXTWROSXSXBG-CQSZACIVSA-N 0 0 566.909 4.701 50 0 KJAARN CC[C@H](C(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1)c1ccccc1 ZINC000102903128 555140848 /nfs/dbraw/zinc/14/08/48/555140848.db2.gz HMAYHGKRQRWFAM-VWLOTQADSA-N 0 0 551.709 4.957 50 0 KJAARN CC[C@@H](C(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1)c1ccccc1 ZINC000102903130 555140842 /nfs/dbraw/zinc/14/08/42/555140842.db2.gz HMAYHGKRQRWFAM-RUZDIDTESA-N 0 0 551.709 4.957 50 0 KJAARN COc1cc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccn2)=C(C)N3)cc(OC)c1OC ZINC000102903847 555140895 /nfs/dbraw/zinc/14/08/95/555140895.db2.gz CFBPUYBMHDACRN-QHCPKHFHSA-N 0 0 532.988 4.947 50 0 KJAARN COc1cc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccn2)=C(C)N3)cc(OC)c1OC ZINC000102903849 555140930 /nfs/dbraw/zinc/14/09/30/555140930.db2.gz CFBPUYBMHDACRN-HSZRJFAPSA-N 0 0 532.988 4.947 50 0 KJAARN 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CC(C)(C)c1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1 ZINC000102904173 555140938 /nfs/dbraw/zinc/14/09/38/555140938.db2.gz ZERJYARPIQULOO-UHFFFAOYSA-N 0 0 538.739 4.616 50 0 KJAARN O=C(COC(=O)COc1ccc(C2SCCCS2)cc1)Nc1ccccc1I ZINC000102904189 555140896 /nfs/dbraw/zinc/14/08/96/555140896.db2.gz VJVGCAPNYQPBLF-UHFFFAOYSA-N 0 0 529.421 4.721 50 0 KJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000102904196 555140963 /nfs/dbraw/zinc/14/09/63/555140963.db2.gz JNWWAHZGMRDCLC-UHFFFAOYSA-N 0 0 543.494 4.881 50 0 KJAARN CCOc1ccc(NC(=O)NC(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)cc1OCC ZINC000102904204 555141000 /nfs/dbraw/zinc/14/10/00/555141000.db2.gz MXNPJLILRHKJJE-UHFFFAOYSA-N 0 0 534.656 4.623 50 0 KJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000102905187 555141230 /nfs/dbraw/zinc/14/12/30/555141230.db2.gz KJCKGZHWJXKFNB-UHFFFAOYSA-N 0 0 558.144 4.990 50 0 KJAARN COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3cc4[nH]c(=O)[nH]c4cc3Br)sc2c1Cl ZINC000102907817 555141651 /nfs/dbraw/zinc/14/16/51/555141651.db2.gz JEQUOIFCYVNUJQ-UHFFFAOYSA-N 0 0 545.198 4.944 50 0 KJAARN O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000102908001 555141638 /nfs/dbraw/zinc/14/16/38/555141638.db2.gz JTNYPABPYAYBFL-UHFFFAOYSA-N 0 0 530.762 4.647 50 0 KJAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000102908218 555141576 /nfs/dbraw/zinc/14/15/76/555141576.db2.gz DARSMPLINIXFFE-UHFFFAOYSA-N 0 0 548.974 4.844 50 0 KJAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000102908221 555141578 /nfs/dbraw/zinc/14/15/78/555141578.db2.gz DGADNQQUAVMZBG-UHFFFAOYSA-N 0 0 548.974 4.844 50 0 KJAARN O=C(c1cccs1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1N(Cc1ccccc1)C(=O)c1cccs1 ZINC000102908576 555141594 /nfs/dbraw/zinc/14/15/94/555141594.db2.gz SMDGFZULGLDLJJ-PSWAGMNNSA-N 0 0 550.727 4.960 50 0 KJAARN O=C(c1cccs1)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1N(Cc1ccccc1)C(=O)c1cccs1 ZINC000102908577 555141940 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O=C1c2ccccc2C(=CNc2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)N1c1cc(Cl)ccc1N1CCOCC1 ZINC000102926574 555151179 /nfs/dbraw/zinc/15/11/79/555151179.db2.gz KUOBUYFDGQIZPI-MEFGMAGPSA-N 0 0 607.132 4.991 50 0 KJAARN CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)OCC(=O)c2ccccc2Cl)cc1 ZINC000102926777 555151538 /nfs/dbraw/zinc/15/15/38/555151538.db2.gz AVQBPJZFXGKNNK-VWLOTQADSA-N 0 0 528.026 4.843 50 0 KJAARN CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)OCC(=O)c2ccccc2Cl)cc1 ZINC000102926781 555151515 /nfs/dbraw/zinc/15/15/15/555151515.db2.gz AVQBPJZFXGKNNK-RUZDIDTESA-N 0 0 528.026 4.843 50 0 KJAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000102927739 555152380 /nfs/dbraw/zinc/15/23/80/555152380.db2.gz CGLFNYRPRZPUDX-QFIPXVFZSA-N 0 0 576.096 4.633 50 0 KJAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000102927742 555152416 /nfs/dbraw/zinc/15/24/16/555152416.db2.gz CGLFNYRPRZPUDX-JOCHJYFZSA-N 0 0 576.096 4.633 50 0 KJAARN CN(c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1)S(=O)(=O)c1cccs1 ZINC000102927847 555152636 /nfs/dbraw/zinc/15/26/36/555152636.db2.gz OBZJISFQUJBQCG-UHFFFAOYSA-N 0 0 575.665 4.531 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2sc(NC)c(C(=O)Nc3ccc(OC)c(Cl)c3)c2N)sc2c1CCCC2 ZINC000102928100 555153166 /nfs/dbraw/zinc/15/31/66/555153166.db2.gz HCWWJBLWCXYNHB-FQEVSTJZSA-N 0 0 563.101 4.609 50 0 KJAARN CCOC(=O)c1c(NC(=O)c2sc(NC)c(C(=O)Nc3ccc(OC)c(Cl)c3)c2N)sc2c1CCCC2 ZINC000102928104 555153195 /nfs/dbraw/zinc/15/31/95/555153195.db2.gz HCWWJBLWCXYNHB-HXUWFJFHSA-N 0 0 563.101 4.609 50 0 KJAARN O=C(NC(=S)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)c1ccccc1Br ZINC000102928184 555153603 /nfs/dbraw/zinc/15/36/03/555153603.db2.gz CBJQWAIUGPBDQP-UHFFFAOYSA-N 0 0 565.559 4.741 50 0 KJAARN Cc1c(NC(=O)COC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000102928357 1066512540 /nfs/dbraw/zinc/51/25/40/1066512540.db2.gz ZFDQNNGDELKZNM-HNENSFHCSA-N 0 0 533.588 4.532 50 0 KJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C(C)C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102928479 555153989 /nfs/dbraw/zinc/15/39/89/555153989.db2.gz OTNNDVWOEWXDPW-UHFFFAOYSA-N 0 0 592.743 4.569 50 0 KJAARN COc1cccc(C(=O)NC(=S)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2N2CCCC2)c1OC ZINC000102928523 555153991 /nfs/dbraw/zinc/15/39/91/555153991.db2.gz RIWVEZZPLFTKMS-UHFFFAOYSA-N 0 0 575.112 4.885 50 0 KJAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3o2)c1 ZINC000102928666 555154552 /nfs/dbraw/zinc/15/45/52/555154552.db2.gz POPPTLSLSZAVIW-UHFFFAOYSA-N 0 0 615.542 4.917 50 0 KJAARN Cc1cccc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000102929627 555155609 /nfs/dbraw/zinc/15/56/09/555155609.db2.gz QHDDEMFUVBVJIZ-SANMLTNESA-N 0 0 534.012 4.726 50 0 KJAARN Cc1cccc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000102929629 555155597 /nfs/dbraw/zinc/15/55/97/555155597.db2.gz QHDDEMFUVBVJIZ-AREMUKBSSA-N 0 0 534.012 4.726 50 0 KJAARN CCCCNC(=O)c1c(N)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)sc1Nc1ccc(OC)cc1 ZINC000102930167 555156433 /nfs/dbraw/zinc/15/64/33/555156433.db2.gz YCTZILZNKVJPOW-QFIPXVFZSA-N 0 0 556.710 4.736 50 0 KJAARN CCCCNC(=O)c1c(N)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)sc1Nc1ccc(OC)cc1 ZINC000102930171 555156478 /nfs/dbraw/zinc/15/64/78/555156478.db2.gz YCTZILZNKVJPOW-JOCHJYFZSA-N 0 0 556.710 4.736 50 0 KJAARN COC(=O)c1c(NC(=O)c2sc(Nc3cccc(C)c3)c(C(=O)NC3CC3)c2N)sc2c1CCCCC2 ZINC000102930175 555156529 /nfs/dbraw/zinc/15/65/29/555156529.db2.gz HRFJOFUVIGQZQL-JOCHJYFZSA-N 0 0 538.695 4.788 50 0 KJAARN COC(=O)c1c(NC(=O)c2sc(Nc3cccc(C)c3)c(C(=O)NC3CC3)c2N)sc2c1CCCCC2 ZINC000102930178 555156462 /nfs/dbraw/zinc/15/64/62/555156462.db2.gz HRFJOFUVIGQZQL-QFIPXVFZSA-N 0 0 538.695 4.788 50 0 KJAARN COC(=O)Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(C)=C(C(=O)OCc1ccccc1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000102930406 555157002 /nfs/dbraw/zinc/15/70/02/555157002.db2.gz IUXICVCUKUVKGQ-MHZLTWQESA-N 0 0 619.596 4.825 50 0 KJAARN COC(=O)Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(C)=C(C(=O)OCc1ccccc1)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000102930408 555156976 /nfs/dbraw/zinc/15/69/76/555156976.db2.gz IUXICVCUKUVKGQ-HHHXNRCGSA-N 0 0 619.596 4.825 50 0 KJAARN Cc1cc(NC(=O)c2sc(Nc3ccc(F)cc3)c(C(=O)N3CCCC3)c2N)ccc1Br ZINC000102930802 555157626 /nfs/dbraw/zinc/15/76/26/555157626.db2.gz XCLLYUOMWACJJP-HXUWFJFHSA-N 0 0 517.424 4.916 50 0 KJAARN O=C(COC(=O)CSc1ccc2ccccc2c1Br)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000102931189 555158545 /nfs/dbraw/zinc/15/85/45/555158545.db2.gz VNXVUJBRCBCGDP-UHFFFAOYSA-N 0 0 563.495 4.661 50 0 KJAARN O=C(COC(=O)CSc1ccc2ccccc2c1Br)Nc1cc(Cl)ccc1S(=O)(=O)N1CCOCC1 ZINC000102931257 555158631 /nfs/dbraw/zinc/15/86/31/555158631.db2.gz PJIKTZZWNKLIHF-UHFFFAOYSA-N 0 0 613.939 4.551 50 0 KJAARN CCOCCCNC(=O)c1c(N)c(C(=O)Nc2ccc(OC(F)F)cc2)sc1Nc1ccc(Cl)cc1 ZINC000102931791 555159386 /nfs/dbraw/zinc/15/93/86/555159386.db2.gz YSKWYLBIGNENLQ-FQEVSTJZSA-N 0 0 539.004 4.882 50 0 KJAARN COC[C@H](C)NC(=S)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4cccc(S(=O)(=O)N5CCOCC5)c4)nn13)CCCC2 ZINC000102933692 555160808 /nfs/dbraw/zinc/16/08/08/555160808.db2.gz KSUYWUGQZJASHE-FQEVSTJZSA-N 0 0 628.220 4.780 50 0 KJAARN COC[C@@H](C)NC(=S)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4cccc(S(=O)(=O)N5CCOCC5)c4)nn13)CCCC2 ZINC000102933693 555160798 /nfs/dbraw/zinc/16/07/98/555160798.db2.gz KSUYWUGQZJASHE-HXUWFJFHSA-N 0 0 628.220 4.780 50 0 KJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000102934020 555161295 /nfs/dbraw/zinc/16/12/95/555161295.db2.gz SNEHLXOMHZWOIT-UHFFFAOYSA-N 0 0 539.654 4.682 50 0 KJAARN CCc1cc2c(cc1OCC(=O)Nc1cccc(S(=O)(=O)N3CCOCC3)c1)oc(C)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000102934044 555161356 /nfs/dbraw/zinc/16/13/56/555161356.db2.gz AJMWYTCQQFAJSL-UHFFFAOYSA-N 0 0 628.707 4.555 50 0 KJAARN O=S(=O)(Cc1ccccc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000102934608 555161756 /nfs/dbraw/zinc/16/17/56/555161756.db2.gz RGQIVHCMOLIKLU-UHFFFAOYSA-N 0 0 559.095 4.712 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4cccc(C)c4)CC3)c(C(=O)N3CCCC3)c2)c1 ZINC000102934721 555161760 /nfs/dbraw/zinc/16/17/60/555161760.db2.gz MRMPHDVZQGYSHQ-UHFFFAOYSA-N 0 0 541.652 4.846 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)c(C(=O)N3CCCC3)c2)c1 ZINC000102934731 555161753 /nfs/dbraw/zinc/16/17/53/555161753.db2.gz NDXLDNMBUJXUIN-UHFFFAOYSA-N 0 0 541.652 4.846 50 0 KJAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)c4ccccc4F)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000102934786 555161777 /nfs/dbraw/zinc/16/17/77/555161777.db2.gz OHLHNHHIHRMBPD-UHFFFAOYSA-N 0 0 545.615 4.677 50 0 KJAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000102934791 555161829 /nfs/dbraw/zinc/16/18/29/555161829.db2.gz QBEFYVKUHFOCJW-UHFFFAOYSA-N 0 0 545.615 4.677 50 0 KJAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000102934796 555161785 /nfs/dbraw/zinc/16/17/85/555161785.db2.gz NDLYTIUJZPOAOP-UHFFFAOYSA-N 0 0 541.652 4.846 50 0 KJAARN COc1ccc(C=CNc2ccc(S(=O)(=O)N3CCOCC3)cc2NC=Cc2ccc(OC)c(OC)c2)cc1OC ZINC000102934799 1066514070 /nfs/dbraw/zinc/51/40/70/1066514070.db2.gz AMEFBEXODJGCEO-XSYHWHKQSA-N 0 0 581.691 4.908 50 0 KJAARN COc1ccc(C=CNc2ccc(S(=O)(=O)N3CCOCC3)cc2NC=Cc2ccc(OC)c(OC)c2)cc1OC ZINC000102934801 1066514132 /nfs/dbraw/zinc/51/41/32/1066514132.db2.gz AMEFBEXODJGCEO-KPGXXQICSA-N 0 0 581.691 4.908 50 0 KJAARN COc1ccc(C=CNc2ccc(S(=O)(=O)N3CCOCC3)cc2NC=Cc2ccc(OC)c(OC)c2)cc1OC ZINC000102934804 1066514198 /nfs/dbraw/zinc/51/41/98/1066514198.db2.gz AMEFBEXODJGCEO-HEEUSZRZSA-N 0 0 581.691 4.908 50 0 KJAARN COc1ccc(C=CNc2ccc(S(=O)(=O)N3CCOCC3)cc2NC=Cc2ccc(OC)c(OC)c2)cc1OC ZINC000102934806 555161764 /nfs/dbraw/zinc/16/17/64/555161764.db2.gz AMEFBEXODJGCEO-PHEQNACWSA-N 0 0 581.691 4.908 50 0 KJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)N3CCOCC3)CC2)c1 ZINC000102934851 555161973 /nfs/dbraw/zinc/16/19/73/555161973.db2.gz VYXDAUOWOXUSKY-UHFFFAOYSA-N 0 0 562.070 4.727 50 0 KJAARN O=C(Nc1ccc(N2CCCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000102934947 555162279 /nfs/dbraw/zinc/16/22/79/555162279.db2.gz SYGAERDGSYMSIC-UHFFFAOYSA-N 0 0 580.060 4.948 50 0 KJAARN Cc1ccc(C(=O)Nc2ccc(N3CCCN(C(=O)Nc4ccccc4F)CC3)c(C(=O)N3CCOCC3)c2)cc1 ZINC000102934976 555162265 /nfs/dbraw/zinc/16/22/65/555162265.db2.gz TUFQSDPZMBXABY-UHFFFAOYSA-N 0 0 559.642 4.603 50 0 KJAARN CCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000102935076 555162170 /nfs/dbraw/zinc/16/21/70/555162170.db2.gz CMGBSPYVXDOMQS-UHFFFAOYSA-N 0 0 531.469 4.504 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)NC4CCCCC4)CC3)c(C(=O)N3CCCCC3)c2)c1 ZINC000102935128 555162494 /nfs/dbraw/zinc/16/24/94/555162494.db2.gz MOPXTNQHPNFBAQ-UHFFFAOYSA-N 0 0 547.700 4.738 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCCN(S(=O)(=O)c4ccccc4)CC3)c12 ZINC000102935273 555162500 /nfs/dbraw/zinc/16/25/00/555162500.db2.gz DXVFSOIXXYPKHN-UHFFFAOYSA-N 0 0 552.704 4.924 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c12 ZINC000102935311 555162771 /nfs/dbraw/zinc/16/27/71/555162771.db2.gz CFFQFPIZWPPEET-UHFFFAOYSA-N 0 0 552.704 4.842 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c12 ZINC000102935324 555162690 /nfs/dbraw/zinc/16/26/90/555162690.db2.gz KGKCVCQCXUHNNO-UHFFFAOYSA-N 0 0 556.667 4.673 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c12 ZINC000102935329 555162761 /nfs/dbraw/zinc/16/27/61/555162761.db2.gz XKAAROXWYVUXQD-UHFFFAOYSA-N 0 0 552.704 4.675 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c12 ZINC000102935333 555162706 /nfs/dbraw/zinc/16/27/06/555162706.db2.gz GUDURHQPZFFWBP-UHFFFAOYSA-N 0 0 538.677 4.534 50 0 KJAARN CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)COC(c2ccccc2)c2ccccc2)c1 ZINC000102935358 555162697 /nfs/dbraw/zinc/16/26/97/555162697.db2.gz LFSCJNVBDZHRIY-LJAQVGFWSA-N 0 0 558.700 4.746 50 0 KJAARN CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)COC(c2ccccc2)c2ccccc2)c1 ZINC000102935360 555162793 /nfs/dbraw/zinc/16/27/93/555162793.db2.gz LFSCJNVBDZHRIY-GDLZYMKVSA-N 0 0 558.700 4.746 50 0 KJAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)C(C)C)cc3)CC2)cc1 ZINC000102935583 555162902 /nfs/dbraw/zinc/16/29/02/555162902.db2.gz RPHMYSKWYRXTNU-UHFFFAOYSA-N 0 0 543.668 4.673 50 0 KJAARN O=C(c1ccc(Oc2c(F)c(F)c(Oc3ccc(C(=O)N4CCOCC4)cc3)c(F)c2F)cc1)N1CCOCC1 ZINC000102935725 555163236 /nfs/dbraw/zinc/16/32/36/555163236.db2.gz QYWIQEPOWLOWHE-UHFFFAOYSA-N 0 0 560.500 4.772 50 0 KJAARN CCc1cc2c(cc1OCC(=O)Nc1ccc(S(=O)(=O)N3CCOCC3)cc1)oc(C)c(-c1ccc(F)cc1)c2=O ZINC000102935816 555163132 /nfs/dbraw/zinc/16/31/32/555163132.db2.gz GNKWBIVXENNEJJ-UHFFFAOYSA-N 0 0 580.634 4.508 50 0 KJAARN O=C(OCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccc(C(=O)c2ccccc2)cc1 ZINC000102935867 555163394 /nfs/dbraw/zinc/16/33/94/555163394.db2.gz VVMCVQNNCOJWIR-QYVRTBTHSA-N 0 0 527.576 4.967 50 0 KJAARN CCOC(=O)c1c(C=O)oc2cc(C)c(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(Br)c21 ZINC000102935872 555163354 /nfs/dbraw/zinc/16/33/54/555163354.db2.gz WKOKXBMCCBAIHQ-UHFFFAOYSA-N 0 0 521.316 4.738 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)cc2)C(C)C)c1 ZINC000102935905 555163388 /nfs/dbraw/zinc/16/33/88/555163388.db2.gz OUPNYLIGHIWHQG-UHFFFAOYSA-N 0 0 543.668 4.847 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)NC(C)(C)C)CC3)cc2)Cc2ccc(F)cc2)cc1 ZINC000102935920 555163330 /nfs/dbraw/zinc/16/33/30/555163330.db2.gz FJWDDBQBHVPMTD-UHFFFAOYSA-N 0 0 575.685 4.746 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)NC(C)(C)C)CC3)cc2)Cc2ccccc2)cc1 ZINC000102935924 555163297 /nfs/dbraw/zinc/16/32/97/555163297.db2.gz CCGSAKHJUUEJEI-UHFFFAOYSA-N 0 0 557.695 4.606 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)cc2)C(C)C)cc1 ZINC000102936058 555163693 /nfs/dbraw/zinc/16/36/93/555163693.db2.gz QOFLNXXFCWZOPE-UHFFFAOYSA-N 0 0 543.668 4.847 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)NC(C)(C)C)CC3)cc2)Cc2ccc(F)cc2)c1 ZINC000102936100 555163700 /nfs/dbraw/zinc/16/37/00/555163700.db2.gz OXBJPMNULMJPPF-UHFFFAOYSA-N 0 0 575.685 4.746 50 0 KJAARN COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2OC)c2ccccc2OC)cc1 ZINC000102936111 555163667 /nfs/dbraw/zinc/16/36/67/555163667.db2.gz JSPUEXNHQPCXQE-UHFFFAOYSA-N 0 0 605.669 4.564 50 0 KJAARN O=C(NCCOC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000102936150 555163702 /nfs/dbraw/zinc/16/37/02/555163702.db2.gz PZGYUZVSVVRRGN-UHFFFAOYSA-N 0 0 529.014 4.504 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1cccc(OC)c1 ZINC000102936200 555163932 /nfs/dbraw/zinc/16/39/32/555163932.db2.gz ILKYZTJPYSMTDH-UHFFFAOYSA-N 0 0 547.631 4.679 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccc(OC)cc1 ZINC000102936232 555163979 /nfs/dbraw/zinc/16/39/79/555163979.db2.gz HWYWFPGBUXLQCY-UHFFFAOYSA-N 0 0 547.631 4.679 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)cc2)C(C)C)c1 ZINC000102936235 555163918 /nfs/dbraw/zinc/16/39/18/555163918.db2.gz RDNHVJKUNKIRTI-UHFFFAOYSA-N 0 0 547.631 4.678 50 0 KJAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)c1ccccc1Cl ZINC000102936245 555163966 /nfs/dbraw/zinc/16/39/66/555163966.db2.gz CGLVNJOQXPCOLM-UHFFFAOYSA-N 0 0 564.086 4.730 50 0 KJAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)C4CC4)cc3C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000102936630 555164443 /nfs/dbraw/zinc/16/44/43/555164443.db2.gz CNPAEACZSPXHIT-UHFFFAOYSA-N 0 0 541.652 4.670 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)N2C(CC(=O)N3CCN(c4ccccc4F)CC3)=CSC2=N1 ZINC000102936667 555164385 /nfs/dbraw/zinc/16/43/85/555164385.db2.gz IKAOHCSBTBPTAR-SANMLTNESA-N 0 0 538.620 4.842 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)N3CCN(c4ccccc4F)CC3)=CSC2=N1 ZINC000102936670 555164438 /nfs/dbraw/zinc/16/44/38/555164438.db2.gz IKAOHCSBTBPTAR-AREMUKBSSA-N 0 0 538.620 4.842 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)N2C(CC(=O)N3CCN(CCc4ccccc4)CC3)=CSC2=N1 ZINC000102936695 555164364 /nfs/dbraw/zinc/16/43/64/555164364.db2.gz JULDPKOLZPMZFR-NDEPHWFRSA-N 0 0 548.684 4.741 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)N3CCN(CCc4ccccc4)CC3)=CSC2=N1 ZINC000102936698 555164422 /nfs/dbraw/zinc/16/44/22/555164422.db2.gz JULDPKOLZPMZFR-MUUNZHRXSA-N 0 0 548.684 4.741 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2ccc(OCc3ccccc3)c(OC)c2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000102936727 555164701 /nfs/dbraw/zinc/16/47/01/555164701.db2.gz WHLNMFWHQGPAQK-NDEPHWFRSA-N 0 0 563.676 4.661 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)N2C(CC(=O)N3CCOCC3)=CSC2=N1 ZINC000102936731 555164659 /nfs/dbraw/zinc/16/46/59/555164659.db2.gz WHLNMFWHQGPAQK-MUUNZHRXSA-N 0 0 563.676 4.661 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)c1ccc(OC)cc1 ZINC000102936853 555164616 /nfs/dbraw/zinc/16/46/16/555164616.db2.gz OPQMHFUDTOYYHS-UHFFFAOYSA-N 0 0 543.668 4.849 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000102937001 555165048 /nfs/dbraw/zinc/16/50/48/555165048.db2.gz UHSIEQHRHCFPLG-KBMIEXCESA-N 0 0 573.616 4.765 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000102937002 555165089 /nfs/dbraw/zinc/16/50/89/555165089.db2.gz UHSIEQHRHCFPLG-CLOONOSVSA-N 0 0 573.616 4.765 50 0 KJAARN CCOC(=O)C1=C(CN2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000102937066 555165026 /nfs/dbraw/zinc/16/50/26/555165026.db2.gz KLXKLFIJVNGBPC-RUZDIDTESA-N 0 0 573.616 4.767 50 0 KJAARN CCOC(=O)C1=C(CN2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000102937070 555165103 /nfs/dbraw/zinc/16/51/03/555165103.db2.gz KLXKLFIJVNGBPC-VWLOTQADSA-N 0 0 573.616 4.767 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2ccc(OCc3ccccc3)c(OC)c2)N2C(CC(=O)NCCOC)=CSC2=N1 ZINC000102937073 555165078 /nfs/dbraw/zinc/16/50/78/555165078.db2.gz HUNDZLAPOCQJMT-MHZLTWQESA-N 0 0 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50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cc(OC)cc(OC)c2)N2C(CC(=O)NCc3ccc(F)cc3)=CSC2=N1 ZINC000102937259 555165231 /nfs/dbraw/zinc/16/52/31/555165231.db2.gz QUDGDTSRVLYSEH-VWLOTQADSA-N 0 0 525.602 4.687 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cc(OC)cc(OC)c2)N2C(CC(=O)NCc3ccc(F)cc3)=CSC2=N1 ZINC000102937263 555165249 /nfs/dbraw/zinc/16/52/49/555165249.db2.gz QUDGDTSRVLYSEH-RUZDIDTESA-N 0 0 525.602 4.687 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cc(OC)ccc2OC)N2C(CC(=O)NCc3ccc(F)cc3)=CSC2=N1 ZINC000102937268 555165283 /nfs/dbraw/zinc/16/52/83/555165283.db2.gz MHIIEJFJROYMFL-VWLOTQADSA-N 0 0 525.602 4.687 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cc(OC)ccc2OC)N2C(CC(=O)NCc3ccc(F)cc3)=CSC2=N1 ZINC000102937271 555165239 /nfs/dbraw/zinc/16/52/39/555165239.db2.gz MHIIEJFJROYMFL-RUZDIDTESA-N 0 0 525.602 4.687 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2OC)N2C(CC(=O)NCc3ccc(F)cc3)=CSC2=N1 ZINC000102937285 555165237 /nfs/dbraw/zinc/16/52/37/555165237.db2.gz GLLLXDZMTXYXIH-VWLOTQADSA-N 0 0 525.602 4.687 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2OC)N2C(CC(=O)NCc3ccc(F)cc3)=CSC2=N1 ZINC000102937287 555165281 /nfs/dbraw/zinc/16/52/81/555165281.db2.gz GLLLXDZMTXYXIH-RUZDIDTESA-N 0 0 525.602 4.687 50 0 KJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2OC)N2C(CC(=O)NCc3ccccc3)=CSC2=N1 ZINC000102937326 555165484 /nfs/dbraw/zinc/16/54/84/555165484.db2.gz OOMXGAIUZOCBDJ-DEOSSOPVSA-N 0 0 507.612 4.548 50 0 KJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2OC)N2C(CC(=O)NCc3ccccc3)=CSC2=N1 ZINC000102937328 555165520 /nfs/dbraw/zinc/16/55/20/555165520.db2.gz OOMXGAIUZOCBDJ-XMMPIXPASA-N 0 0 507.612 4.548 50 0 KJAARN CCC[C@@H](C)c1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000102937352 555165454 /nfs/dbraw/zinc/16/54/54/555165454.db2.gz REPCJZDKGBFDHH-HXUWFJFHSA-N 0 0 536.677 4.986 50 0 KJAARN CCC[C@H](C)c1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000102937355 555165497 /nfs/dbraw/zinc/16/54/97/555165497.db2.gz REPCJZDKGBFDHH-FQEVSTJZSA-N 0 0 536.677 4.986 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000102937512 555165506 /nfs/dbraw/zinc/16/55/06/555165506.db2.gz SLRHARVKYNAZPX-UHFFFAOYSA-N 0 0 543.668 4.849 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 ZINC000102937540 555165507 /nfs/dbraw/zinc/16/55/07/555165507.db2.gz HUVPWGYNFWMCLT-UHFFFAOYSA-N 0 0 569.529 4.740 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000102937577 555165641 /nfs/dbraw/zinc/16/56/41/555165641.db2.gz JQFKGSNDIQATNV-UHFFFAOYSA-N 0 0 544.603 4.606 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000102938014 555166145 /nfs/dbraw/zinc/16/61/45/555166145.db2.gz UCSQRAYQIUJRKE-UHFFFAOYSA-N 0 0 580.732 4.848 50 0 KJAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4cccc(F)c4)C(C)C)cc3)CC2)cc1 ZINC000102938064 555166154 /nfs/dbraw/zinc/16/61/54/555166154.db2.gz ADMKTISIHRTZDU-UHFFFAOYSA-N 0 0 547.631 4.678 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000102938106 555166210 /nfs/dbraw/zinc/16/62/10/555166210.db2.gz RVQCXMSHIFDEOU-UHFFFAOYSA-N 0 0 538.677 4.616 50 0 KJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000102938118 555166219 /nfs/dbraw/zinc/16/62/19/555166219.db2.gz JAYJHCUXHLDFCR-UHFFFAOYSA-N 0 0 559.095 4.961 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c1 ZINC000102938218 555166490 /nfs/dbraw/zinc/16/64/90/555166490.db2.gz UOBDRXITUUKTTM-UHFFFAOYSA-N 0 0 572.492 4.783 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C(=O)N2CCOCC2)c1)c1ccc(F)cc1 ZINC000102938368 555166722 /nfs/dbraw/zinc/16/67/22/555166722.db2.gz HYDBQFLHSNBYPJ-UHFFFAOYSA-N 0 0 599.585 4.923 50 0 KJAARN COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)Cc1ccccc1 ZINC000102938372 555166672 /nfs/dbraw/zinc/16/66/72/555166672.db2.gz COULMHRWPSRHCI-UHFFFAOYSA-N 0 0 583.611 4.673 50 0 KJAARN 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Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c12 ZINC000102938519 555166924 /nfs/dbraw/zinc/16/69/24/555166924.db2.gz BGDGHYUCHPTPKR-UHFFFAOYSA-N 0 0 559.095 4.879 50 0 KJAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000102938559 555167004 /nfs/dbraw/zinc/16/70/04/555167004.db2.gz NSHBTDQJEMTYOJ-UHFFFAOYSA-N 0 0 558.630 4.996 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(S(=O)(=O)c4ccccc4)CC3)c12 ZINC000102938578 555167182 /nfs/dbraw/zinc/16/71/82/555167182.db2.gz BVEVTXUPSKFLAZ-UHFFFAOYSA-N 0 0 538.677 4.616 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)c12 ZINC000102938671 555167136 /nfs/dbraw/zinc/16/71/36/555167136.db2.gz PTHDFXOJFXOSRF-UHFFFAOYSA-N 0 0 552.704 4.924 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)NC(C)(C)C)cc3)CC2)cc1 ZINC000102938758 555167178 /nfs/dbraw/zinc/16/71/78/555167178.db2.gz WJQALRDXDAWSLF-UHFFFAOYSA-N 0 0 557.695 4.606 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccc(F)cc4)C(=O)NC(C)(C)C)cc3)CC2)cc1 ZINC000102938771 555167497 /nfs/dbraw/zinc/16/74/97/555167497.db2.gz YGFTZBXXKRTKME-UHFFFAOYSA-N 0 0 575.685 4.746 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c12 ZINC000102938820 555167386 /nfs/dbraw/zinc/16/73/86/555167386.db2.gz FAJKNVUBEBMIMV-UHFFFAOYSA-N 0 0 538.677 4.534 50 0 KJAARN COc1cc(/C=C(\C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000102938846 1066375167 /nfs/dbraw/zinc/37/51/67/1066375167.db2.gz JYNVJMFYZOXNCX-USHMODERSA-N 0 0 572.683 4.926 50 0 KJAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)C(C)C)cc3C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000102938920 555167406 /nfs/dbraw/zinc/16/74/06/555167406.db2.gz ABUNKSLBESZWNF-UHFFFAOYSA-N 0 0 543.668 4.916 50 0 KJAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)c1ccc(F)cc1 ZINC000102938924 555167677 /nfs/dbraw/zinc/16/76/77/555167677.db2.gz OSTPULIKJBBZAF-UHFFFAOYSA-N 0 0 601.601 4.926 50 0 KJAARN CC[C@H]1Oc2ccc(NC(=O)c3c(OC)cccc3OC)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000102939007 555167595 /nfs/dbraw/zinc/16/75/95/555167595.db2.gz INRBGNCDZXUZRK-JOCHJYFZSA-N 0 0 534.609 4.716 50 0 KJAARN CC[C@@H]1Oc2ccc(NC(=O)c3c(OC)cccc3OC)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000102939009 555167648 /nfs/dbraw/zinc/16/76/48/555167648.db2.gz INRBGNCDZXUZRK-QFIPXVFZSA-N 0 0 534.609 4.716 50 0 KJAARN CC[C@H]1Oc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000102939016 555167600 /nfs/dbraw/zinc/16/76/00/555167600.db2.gz WTIRRYJSGNVOJJ-HSZRJFAPSA-N 0 0 534.609 4.716 50 0 KJAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2CN(CCc2ccc(OC)c(OC)c2)C1=O ZINC000102939017 555167627 /nfs/dbraw/zinc/16/76/27/555167627.db2.gz WTIRRYJSGNVOJJ-QHCPKHFHSA-N 0 0 534.609 4.716 50 0 KJAARN COc1ccc(N(C(=O)COc2ccccc2F)S(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 ZINC000102939025 555167616 /nfs/dbraw/zinc/16/76/16/555167616.db2.gz IMKOZHLQJWGDIR-UHFFFAOYSA-N 0 0 582.581 4.792 50 0 KJAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)c1ccccc1 ZINC000102939028 555167643 /nfs/dbraw/zinc/16/76/43/555167643.db2.gz NCLVISZZUISKHS-UHFFFAOYSA-N 0 0 583.611 4.787 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(S(=O)(=O)Cc4ccccc4)CC3)c12 ZINC000102939031 555167646 /nfs/dbraw/zinc/16/76/46/555167646.db2.gz RYPLVSZCUPYHGG-UHFFFAOYSA-N 0 0 552.704 4.757 50 0 KJAARN CCOc1ccc(OC)cc1/C=C1\SC(=O)N(CCN2C(=O)S/C(=C/c3ccc(NC(C)=O)cc3)C2=O)C1=O ZINC000102939076 555167866 /nfs/dbraw/zinc/16/78/66/555167866.db2.gz NIPZIGYBNAGDCU-XJZCQYRTSA-N 0 0 567.645 4.825 50 0 KJAARN CCOc1ccc(OC)cc1/C=C1/SC(=O)N(CCN2C(=O)S/C(=C/c3ccc(NC(C)=O)cc3)C2=O)C1=O ZINC000102939078 1066375286 /nfs/dbraw/zinc/37/52/86/1066375286.db2.gz NIPZIGYBNAGDCU-JWIKZEKMSA-N 0 0 567.645 4.825 50 0 KJAARN CCOc1ccc(OC)cc1/C=C1\SC(=O)N(CCN2C(=O)S/C(=C\c3ccc(NC(C)=O)cc3)C2=O)C1=O ZINC000102939080 1066375199 /nfs/dbraw/zinc/37/51/99/1066375199.db2.gz NIPZIGYBNAGDCU-BXLBILJFSA-N 0 0 567.645 4.825 50 0 KJAARN CCOc1ccc(OC)cc1/C=C1/SC(=O)N(CCN2C(=O)S/C(=C\c3ccc(NC(C)=O)cc3)C2=O)C1=O ZINC000102939083 1066375133 /nfs/dbraw/zinc/37/51/33/1066375133.db2.gz NIPZIGYBNAGDCU-QHVGNZBQSA-N 0 0 567.645 4.825 50 0 KJAARN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)COc4ccc(OC)cc4)cc3)cc2)cc1 ZINC000102939323 555168075 /nfs/dbraw/zinc/16/80/75/555168075.db2.gz LWWCBSDZGHXMBQ-UHFFFAOYSA-N 0 0 576.627 4.572 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c1 ZINC000102939612 555168356 /nfs/dbraw/zinc/16/83/56/555168356.db2.gz PSTSOZHZAKJBLP-UHFFFAOYSA-N 0 0 572.492 4.783 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Nc2ccccc2OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000102939740 555168223 /nfs/dbraw/zinc/16/82/23/555168223.db2.gz PHKUNSVCHIDPMC-UHFFFAOYSA-N 0 0 586.736 4.506 50 0 KJAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000102939930 555168491 /nfs/dbraw/zinc/16/84/91/555168491.db2.gz QLPANLVLYACZST-UHFFFAOYSA-N 0 0 523.998 4.534 50 0 KJAARN COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000102940778 555169605 /nfs/dbraw/zinc/16/96/05/555169605.db2.gz CUUYWACCRIYDMJ-XQNSMLJCSA-N 0 0 604.628 4.514 50 0 KJAARN COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000102940780 1066375619 /nfs/dbraw/zinc/37/56/19/1066375619.db2.gz CUUYWACCRIYDMJ-KQWNVCNZSA-N 0 0 604.628 4.514 50 0 KJAARN COc1ccc(/C=C\C(=O)OC[C@H]2[C@@H](COC(=O)/C=C\c3ccc(OC)c(OC)c3)C2(Cl)Cl)cc1OC ZINC000102941158 1066375539 /nfs/dbraw/zinc/37/55/39/1066375539.db2.gz WWOHPHYCRYLBSW-BJQWFXOSSA-N 0 0 551.419 4.954 50 0 KJAARN COc1ccc(/C=C/C(=O)OC[C@@H]2[C@H](COC(=O)/C=C\c3ccc(OC)c(OC)c3)C2(Cl)Cl)cc1OC ZINC000102941162 1066375634 /nfs/dbraw/zinc/37/56/34/1066375634.db2.gz WWOHPHYCRYLBSW-FXQUSQRYSA-N 0 0 551.419 4.954 50 0 KJAARN COc1ccc(/C=C/C(=O)OC[C@H]2[C@@H](COC(=O)/C=C\c3ccc(OC)c(OC)c3)C2(Cl)Cl)cc1OC ZINC000102941164 1066375586 /nfs/dbraw/zinc/37/55/86/1066375586.db2.gz WWOHPHYCRYLBSW-JVRGJFRQSA-N 0 0 551.419 4.954 50 0 KJAARN CCCC(=O)N1C2C3N(C(=O)CCC)[C@H]4[C@H](N3C(=O)CCC)N(Cc3ccccc3)[C@H]([C@@H]1N4Cc1ccccc1)N2C(=O)CCC ZINC000102943575 555171011 /nfs/dbraw/zinc/17/10/11/555171011.db2.gz BYZZOFOKOGSGOA-XUNYCZEZSA-N 0 0 628.818 4.517 50 0 KJAARN O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCNS(=O)(=O)c1cc(Br)ccc1Br ZINC000102948500 1066376148 /nfs/dbraw/zinc/37/61/48/1066376148.db2.gz ZIZYBALPFMWWBH-DHDCSXOGSA-N 0 0 580.707 4.880 50 0 KJAARN NC(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1NC(=S)NC(=O)C=Cc1cccc(Br)c1 ZINC000102949379 555172484 /nfs/dbraw/zinc/17/24/84/555172484.db2.gz OMXZVKSORTZMDH-DAXSKMNVSA-N 0 0 539.242 4.567 50 0 KJAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)c1 ZINC000102950054 555172698 /nfs/dbraw/zinc/17/26/98/555172698.db2.gz WLUCIAZZWHEBTC-UHFFFAOYSA-N 0 0 529.087 4.914 50 0 KJAARN CCCC(=O)c1ccc2c(c1)OCCOCCOCCOc1ccc(C(=O)CCC)cc1OCCOCCOCCO2 ZINC000102952285 555173009 /nfs/dbraw/zinc/17/30/09/555173009.db2.gz YUDSPYYCBLTWKB-UHFFFAOYSA-N 0 0 588.694 4.948 50 0 KJAARN 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CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)CC)CC2)c1 ZINC000102955881 555173763 /nfs/dbraw/zinc/17/37/63/555173763.db2.gz NISOWPUFCLXERA-UHFFFAOYSA-N 0 0 608.555 4.585 50 0 KJAARN CC(C)(C)P(=NC(=S)NNC(=S)Nc1ccc(Cl)cc1Cl)(N1CCOCC1)N1CCOCC1 ZINC000102957036 555174154 /nfs/dbraw/zinc/17/41/54/555174154.db2.gz IFKRYDLNFCMLEO-UHFFFAOYSA-N 0 0 553.522 4.563 50 0 KJAARN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000102957503 555174203 /nfs/dbraw/zinc/17/42/03/555174203.db2.gz VFCLQEXIJOROBS-UHFFFAOYSA-N 0 0 553.017 4.770 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000102959369 555174994 /nfs/dbraw/zinc/17/49/94/555174994.db2.gz SMPGBRXNDGKQSZ-AREMUKBSSA-N 0 0 570.671 4.521 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000102959373 555174983 /nfs/dbraw/zinc/17/49/83/555174983.db2.gz SMPGBRXNDGKQSZ-SANMLTNESA-N 0 0 570.671 4.521 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3ccccc3Cl)n2)C1 ZINC000102959721 555175145 /nfs/dbraw/zinc/17/51/45/555175145.db2.gz YVPOISVHSFFCJH-OAQYLSRUSA-N 0 0 540.016 4.674 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3ccccc3Cl)n2)C1 ZINC000102959724 555175126 /nfs/dbraw/zinc/17/51/26/555175126.db2.gz YVPOISVHSFFCJH-NRFANRHFSA-N 0 0 540.016 4.674 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3ccccc3Cl)n2)CC1 ZINC000102959729 555175110 /nfs/dbraw/zinc/17/51/10/555175110.db2.gz BHIHNFTUEJCVGH-UHFFFAOYSA-N 0 0 540.016 4.674 50 0 KJAARN Cc1ccc(NC(=O)N(CCN2CCOCC2)CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)cc1 ZINC000102961457 555177102 /nfs/dbraw/zinc/17/71/02/555177102.db2.gz XZGYIPRNRKEPEX-MHZLTWQESA-N 0 0 566.699 4.567 50 0 KJAARN Cc1ccc(NC(=O)N(CCN2CCOCC2)CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)cc1 ZINC000102961461 555177164 /nfs/dbraw/zinc/17/71/64/555177164.db2.gz XZGYIPRNRKEPEX-HHHXNRCGSA-N 0 0 566.699 4.567 50 0 KJAARN 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COc1cccc(CO[C@@H](CN2CCN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC2)c2ccc(Cl)cc2)c1 ZINC000103032486 555220147 /nfs/dbraw/zinc/22/01/47/555220147.db2.gz CXJIXEYHZXXFNH-LFERIPGTSA-N 0 0 575.171 4.949 50 0 KJAARN COc1cccc(CO[C@H](CN2CCN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC2)c2ccc(Cl)cc2)c1 ZINC000103032488 555220178 /nfs/dbraw/zinc/22/01/78/555220178.db2.gz CXJIXEYHZXXFNH-IOHOYOPVSA-N 0 0 575.171 4.949 50 0 KJAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)c3ccc(Br)cc3)CC2)cc1OC ZINC000103032516 555220130 /nfs/dbraw/zinc/22/01/30/555220130.db2.gz FDKFFZCWGIVJMK-UHFFFAOYSA-N 0 0 566.496 4.838 50 0 biogenic KJAARN CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000103032521 555220159 /nfs/dbraw/zinc/22/01/59/555220159.db2.gz MSVCWHKLDQKWEY-LJAQVGFWSA-N 0 0 546.643 4.742 50 0 KJAARN CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000103032526 555220157 /nfs/dbraw/zinc/22/01/57/555220157.db2.gz MSVCWHKLDQKWEY-GDLZYMKVSA-N 0 0 546.643 4.742 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)Cc3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103032838 555220323 /nfs/dbraw/zinc/22/03/23/555220323.db2.gz QBKJJKRXATYYFT-NDEPHWFRSA-N 0 0 537.056 4.780 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)Cc3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103032840 555220441 /nfs/dbraw/zinc/22/04/41/555220441.db2.gz QBKJJKRXATYYFT-MUUNZHRXSA-N 0 0 537.056 4.780 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103033028 555220736 /nfs/dbraw/zinc/22/07/36/555220736.db2.gz ZZIKAUGOECFDKP-HHHXNRCGSA-N 0 0 592.636 4.765 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103033033 555220716 /nfs/dbraw/zinc/22/07/16/555220716.db2.gz ZZIKAUGOECFDKP-MHZLTWQESA-N 0 0 592.636 4.765 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033038 555220669 /nfs/dbraw/zinc/22/06/69/555220669.db2.gz SDORIXFWNDBIGR-MUUNZHRXSA-N 0 0 561.100 4.630 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033040 555220700 /nfs/dbraw/zinc/22/07/00/555220700.db2.gz SDORIXFWNDBIGR-NDEPHWFRSA-N 0 0 561.100 4.630 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033043 555220708 /nfs/dbraw/zinc/22/07/08/555220708.db2.gz FQMKAOGAICKTTA-MHZLTWQESA-N 0 0 545.101 4.930 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033046 555220739 /nfs/dbraw/zinc/22/07/39/555220739.db2.gz FQMKAOGAICKTTA-HHHXNRCGSA-N 0 0 545.101 4.930 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103033171 555220948 /nfs/dbraw/zinc/22/09/48/555220948.db2.gz TYHAWWKEOSWRHQ-HHHXNRCGSA-N 0 0 592.636 4.765 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103033174 555220809 /nfs/dbraw/zinc/22/08/09/555220809.db2.gz TYHAWWKEOSWRHQ-MHZLTWQESA-N 0 0 592.636 4.765 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103033255 555220872 /nfs/dbraw/zinc/22/08/72/555220872.db2.gz FTBRFJVDMCPGSO-HHHXNRCGSA-N 0 0 577.074 4.539 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103033257 555220860 /nfs/dbraw/zinc/22/08/60/555220860.db2.gz FTBRFJVDMCPGSO-MHZLTWQESA-N 0 0 577.074 4.539 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033326 555221252 /nfs/dbraw/zinc/22/12/52/555221252.db2.gz UHZLLOXUPCVXBA-RUZDIDTESA-N 0 0 537.028 4.891 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033330 555221257 /nfs/dbraw/zinc/22/12/57/555221257.db2.gz UHZLLOXUPCVXBA-VWLOTQADSA-N 0 0 537.028 4.891 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC000103033376 555221225 /nfs/dbraw/zinc/22/12/25/555221225.db2.gz BVHUZDMBQQZAPM-UHFFFAOYSA-N 0 0 579.700 4.988 50 0 KJAARN COc1cccc(CO[C@@H](CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2ccc(Cl)cc2)c1 ZINC000103033382 555221263 /nfs/dbraw/zinc/22/12/63/555221263.db2.gz ZMIJBQOLDIJIMZ-VWLOTQADSA-N 0 0 537.028 4.891 50 0 KJAARN COc1cccc(CO[C@H](CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2ccc(Cl)cc2)c1 ZINC000103033386 555221227 /nfs/dbraw/zinc/22/12/27/555221227.db2.gz ZMIJBQOLDIJIMZ-RUZDIDTESA-N 0 0 537.028 4.891 50 0 KJAARN COc1cccc(CO[C@@H](CN2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000103033394 555221246 /nfs/dbraw/zinc/22/12/46/555221246.db2.gz GTMFBSQXDITAQC-NDEPHWFRSA-N 0 0 561.100 4.630 50 0 KJAARN COc1cccc(CO[C@H](CN2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000103033398 555221215 /nfs/dbraw/zinc/22/12/15/555221215.db2.gz GTMFBSQXDITAQC-MUUNZHRXSA-N 0 0 561.100 4.630 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000103033403 555221211 /nfs/dbraw/zinc/22/12/11/555221211.db2.gz JQGPNEVBOKCVFT-UHFFFAOYSA-N 0 0 591.711 4.914 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000103033434 555221220 /nfs/dbraw/zinc/22/12/20/555221220.db2.gz TXNURRQLNRLLFX-UHFFFAOYSA-N 0 0 578.112 4.601 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 ZINC000103033466 555221274 /nfs/dbraw/zinc/22/12/74/555221274.db2.gz CWDINCKFLNMOBU-UHFFFAOYSA-N 0 0 585.748 4.567 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)c1cccc(Br)c1 ZINC000103033675 555221345 /nfs/dbraw/zinc/22/13/45/555221345.db2.gz RGZANHICHVQZHS-QHCPKHFHSA-N 0 0 543.483 4.804 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)c1cccc(Br)c1 ZINC000103033678 555221353 /nfs/dbraw/zinc/22/13/53/555221353.db2.gz RGZANHICHVQZHS-HSZRJFAPSA-N 0 0 543.483 4.804 50 0 KJAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000103033711 555221385 /nfs/dbraw/zinc/22/13/85/555221385.db2.gz WHIPYGNAPNWAQK-UHFFFAOYSA-N 0 0 516.403 4.529 50 0 KJAARN COc1ccc(C(=O)N(c2nc3ccccc3s2)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000103033978 555221713 /nfs/dbraw/zinc/22/17/13/555221713.db2.gz MXSAKFOCUVEMAC-UHFFFAOYSA-N 0 0 544.054 4.958 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)ccc1C ZINC000103034059 555221721 /nfs/dbraw/zinc/22/17/21/555221721.db2.gz CMWKEEKJIMPCTN-UHFFFAOYSA-N 0 0 571.721 4.646 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000103034134 555221671 /nfs/dbraw/zinc/22/16/71/555221671.db2.gz VYSNVKFSKRPTCL-SANMLTNESA-N 0 0 540.707 4.671 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000103034136 555221674 /nfs/dbraw/zinc/22/16/74/555221674.db2.gz VYSNVKFSKRPTCL-AREMUKBSSA-N 0 0 540.707 4.671 50 0 KJAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cccc5ccccc54)CC3)c2)cc1 ZINC000103034140 555221667 /nfs/dbraw/zinc/22/16/67/555221667.db2.gz IJXZJTIUZMNQJH-UHFFFAOYSA-N 0 0 545.661 4.645 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103034165 555221724 /nfs/dbraw/zinc/22/17/24/555221724.db2.gz PKNBWLQSJKIWII-QHCPKHFHSA-N 0 0 579.140 4.642 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103034170 555221816 /nfs/dbraw/zinc/22/18/16/555221816.db2.gz PKNBWLQSJKIWII-HSZRJFAPSA-N 0 0 579.140 4.642 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103034674 555222152 /nfs/dbraw/zinc/22/21/52/555222152.db2.gz GMTZNUUKMVPGEL-VWLOTQADSA-N 0 0 579.140 4.642 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103034677 555222135 /nfs/dbraw/zinc/22/21/35/555222135.db2.gz GMTZNUUKMVPGEL-RUZDIDTESA-N 0 0 579.140 4.642 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000103034720 555222183 /nfs/dbraw/zinc/22/21/83/555222183.db2.gz SIZHSBVITGOLCO-AZGAKELHSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000103034722 555222148 /nfs/dbraw/zinc/22/21/48/555222148.db2.gz SIZHSBVITGOLCO-AHWVRZQESA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000103034727 555222179 /nfs/dbraw/zinc/22/21/79/555222179.db2.gz SIZHSBVITGOLCO-AOYPEHQESA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(F)cc2)c1 ZINC000103034730 555222191 /nfs/dbraw/zinc/22/21/91/555222191.db2.gz SIZHSBVITGOLCO-RSXGOPAZSA-N 0 0 538.641 4.722 50 0 KJAARN COCCN(CC(=O)Nc1nc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1)C(=O)C1CCCCC1 ZINC000103035182 555222611 /nfs/dbraw/zinc/22/26/11/555222611.db2.gz XCNNOURMWHBUNJ-UHFFFAOYSA-N 0 0 617.816 4.613 50 0 KJAARN CCc1nc(C)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1Cc1ccc(Cl)cc1 ZINC000103035619 555222623 /nfs/dbraw/zinc/22/26/23/555222623.db2.gz AGVQEZFCPDERQK-UHFFFAOYSA-N 0 0 549.922 4.865 50 0 KJAARN COc1ccc(CCN2C(=O)[C@@H](CC(C)C)NC23CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1OC ZINC000103035846 555222920 /nfs/dbraw/zinc/22/29/20/555222920.db2.gz WFSFDOPLQZDCEA-HSZRJFAPSA-N 0 0 584.566 4.581 50 0 KJAARN COc1ccc(CCN2C(=O)[C@H](CC(C)C)NC23CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1OC ZINC000103035852 555222910 /nfs/dbraw/zinc/22/29/10/555222910.db2.gz WFSFDOPLQZDCEA-QHCPKHFHSA-N 0 0 584.566 4.581 50 0 KJAARN O=C(CN(Cc1ccccc1)C(=O)C1CCC1)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000103035964 555222914 /nfs/dbraw/zinc/22/29/14/555222914.db2.gz YJRYGIRNJLEJIE-UHFFFAOYSA-N 0 0 538.479 4.928 50 0 KJAARN COc1ccc(CC(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)c(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)cc1 ZINC000103036061 555222931 /nfs/dbraw/zinc/22/29/31/555222931.db2.gz AOQXKTDBPIGBQR-UHFFFAOYSA-N 0 0 632.714 4.549 50 0 KJAARN O=C(COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000103036567 555223060 /nfs/dbraw/zinc/22/30/60/555223060.db2.gz ANXLASPCISIBSU-HSZRJFAPSA-N 0 0 555.553 4.585 50 0 KJAARN O=C(COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000103036568 555222990 /nfs/dbraw/zinc/22/29/90/555222990.db2.gz ANXLASPCISIBSU-QHCPKHFHSA-N 0 0 555.553 4.585 50 0 KJAARN CC(C)N(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000103036598 555223000 /nfs/dbraw/zinc/22/30/00/555223000.db2.gz JJYHXLNGHGTBIU-UHFFFAOYSA-N 0 0 530.431 4.789 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4Cl)nn3)CC2)C(C)C)c1 ZINC000103036629 555223046 /nfs/dbraw/zinc/22/30/46/555223046.db2.gz OELMKKHCSJUCNA-UHFFFAOYSA-N 0 0 542.467 4.658 50 0 KJAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O)NCCc1ccc(Cl)cc1Cl ZINC000103036859 555223054 /nfs/dbraw/zinc/22/30/54/555223054.db2.gz JMVLITCUXVBQEM-UHFFFAOYSA-N 0 0 586.564 4.835 50 0 KJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2nc3nccc(-c4ccc(N5CCOCC5)cc4)n3n2)CC1 ZINC000103037447 555223279 /nfs/dbraw/zinc/22/32/79/555223279.db2.gz CRKUBGUCGTXWQW-UHFFFAOYSA-N 0 0 619.513 4.861 50 0 KJAARN 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KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccccc4OC)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000103042737 555226627 /nfs/dbraw/zinc/22/66/27/555226627.db2.gz HXSCKSIVZXXHPN-UHFFFAOYSA-N 0 0 540.620 4.696 50 0 KJAARN Cc1c(N(C)S(=O)(=O)c2cc(C(=O)Nc3ccccc3OC(F)F)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000103042782 555226638 /nfs/dbraw/zinc/22/66/38/555226638.db2.gz OANUSIKUVUXWAB-UHFFFAOYSA-N 0 0 577.009 4.817 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)n(-c2ccccc2OC)n1 ZINC000103042786 555226668 /nfs/dbraw/zinc/22/66/68/555226668.db2.gz RVOHXAOOVAGFRG-UHFFFAOYSA-N 0 0 540.620 4.696 50 0 KJAARN COc1cc(/C=C\C(=O)Nc2ccccc2OC(F)F)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000103042787 1066515388 /nfs/dbraw/zinc/51/53/88/1066515388.db2.gz MNATZDPPWIGKAM-QXMHVHEDSA-N 0 0 530.549 4.709 50 0 KJAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000103042905 555226620 /nfs/dbraw/zinc/22/66/20/555226620.db2.gz YSQWNCQBJFZCJR-VWLOTQADSA-N 0 0 555.603 4.750 50 0 KJAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1 ZINC000103042908 555226593 /nfs/dbraw/zinc/22/65/93/555226593.db2.gz YSQWNCQBJFZCJR-RUZDIDTESA-N 0 0 555.603 4.750 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)Nc3ccccc3OC)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103042911 555226634 /nfs/dbraw/zinc/22/66/34/555226634.db2.gz IEICOJONJFFOHC-PMERELPUSA-N 0 0 615.731 4.565 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)Nc3ccccc3OC)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103042915 555226614 /nfs/dbraw/zinc/22/66/14/555226614.db2.gz IEICOJONJFFOHC-SSEXGKCCSA-N 0 0 615.731 4.565 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000103042983 555226829 /nfs/dbraw/zinc/22/68/29/555226829.db2.gz JNBOGHBDXFVQPC-SANMLTNESA-N 0 0 543.083 4.754 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 ZINC000103042987 555226844 /nfs/dbraw/zinc/22/68/44/555226844.db2.gz JNBOGHBDXFVQPC-AREMUKBSSA-N 0 0 543.083 4.754 50 0 KJAARN COCCn1c(CN(Cc2ccco2)C(=O)Cc2ccccc2)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000103043001 555226869 /nfs/dbraw/zinc/22/68/69/555226869.db2.gz BXHLKFBINNJTFF-UHFFFAOYSA-N 0 0 542.057 4.521 50 0 KJAARN COCCn1c(CN(Cc2ccco2)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000103043005 555226811 /nfs/dbraw/zinc/22/68/11/555226811.db2.gz IKXCQAXJHITNHH-UHFFFAOYSA-N 0 0 528.030 4.592 50 0 KJAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCN(C(=O)c2cncc(Br)c2)CC1 ZINC000103043072 555226874 /nfs/dbraw/zinc/22/68/74/555226874.db2.gz WIPHIKSLFPJHOA-UHFFFAOYSA-N 0 0 553.244 4.623 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccc2c(c1)OCO2)C(C)(C)C ZINC000103044503 555227414 /nfs/dbraw/zinc/22/74/14/555227414.db2.gz HCEXKAOEFBIOAV-NRFANRHFSA-N 0 0 536.650 4.931 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccc2c(c1)OCO2)C(C)(C)C ZINC000103044505 555227442 /nfs/dbraw/zinc/22/74/42/555227442.db2.gz HCEXKAOEFBIOAV-OAQYLSRUSA-N 0 0 536.650 4.931 50 0 KJAARN CCOc1ccc(NC(=O)CN(C)C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1OCC ZINC000103044537 1066515329 /nfs/dbraw/zinc/51/53/29/1066515329.db2.gz HYXOAQKUOLDLRV-SSZFMOIBSA-N 0 0 539.636 4.901 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)[C@@H](C)c2ccccc2)cc1 ZINC000103045076 555227651 /nfs/dbraw/zinc/22/76/51/555227651.db2.gz GUANAEKHZSAZHL-DEOSSOPVSA-N 0 0 535.648 4.704 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)[C@H](C)c2ccccc2)cc1 ZINC000103045079 555227687 /nfs/dbraw/zinc/22/76/87/555227687.db2.gz GUANAEKHZSAZHL-XMMPIXPASA-N 0 0 535.648 4.704 50 0 KJAARN O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000103045136 555227673 /nfs/dbraw/zinc/22/76/73/555227673.db2.gz UBBRMKLOTZBVLH-UHFFFAOYSA-N 0 0 570.049 4.517 50 0 KJAARN COc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)n21 ZINC000103045305 555227891 /nfs/dbraw/zinc/22/78/91/555227891.db2.gz YGLIIOGZGWLCCZ-UHFFFAOYSA-N 0 0 534.954 4.847 50 0 KJAARN COc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(N3CCN(C(=O)Nc4ccccc4)CC3)n21 ZINC000103045373 555227966 /nfs/dbraw/zinc/22/79/66/555227966.db2.gz FMNRABCORLQVIA-UHFFFAOYSA-N 0 0 513.989 4.961 50 0 KJAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000103045616 555227949 /nfs/dbraw/zinc/22/79/49/555227949.db2.gz WLRNWXAJGCLOQZ-UHFFFAOYSA-N 0 0 566.482 4.625 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103045774 555228114 /nfs/dbraw/zinc/22/81/14/555228114.db2.gz KEFARCPDRADWBZ-HHHXNRCGSA-N 0 0 567.480 4.960 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103045777 555228095 /nfs/dbraw/zinc/22/80/95/555228095.db2.gz KEFARCPDRADWBZ-MHZLTWQESA-N 0 0 567.480 4.960 50 0 KJAARN COC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc3n2C[C@@H]2CCCO2)c(OC)c1 ZINC000103046099 555228132 /nfs/dbraw/zinc/22/81/32/555228132.db2.gz WMHQVBIYIOUZSA-KNQAVFIVSA-N 0 0 573.737 4.723 50 0 KJAARN COC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N4CCC[C@H](C)C4)ccc3n2C[C@@H]2CCCO2)c(OC)c1 ZINC000103046102 555228148 /nfs/dbraw/zinc/22/81/48/555228148.db2.gz WMHQVBIYIOUZSA-UGKGYDQZSA-N 0 0 573.737 4.723 50 0 KJAARN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCCN(C(=O)COc4ccccc4)CC3)n2)cc1 ZINC000103046276 555228356 /nfs/dbraw/zinc/22/83/56/555228356.db2.gz DTJRIASWWLOHSV-UHFFFAOYSA-N 0 0 532.648 4.832 50 0 KJAARN O=C(NCCc1ccc(F)cc1)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000103046678 555228569 /nfs/dbraw/zinc/22/85/69/555228569.db2.gz VABQCADQCOABSR-QFIPXVFZSA-N 0 0 534.440 4.862 50 0 KJAARN O=C(NCCc1ccc(F)cc1)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000103046682 555228644 /nfs/dbraw/zinc/22/86/44/555228644.db2.gz VABQCADQCOABSR-JOCHJYFZSA-N 0 0 534.440 4.862 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c3ccccc32)C1 ZINC000103046830 555228588 /nfs/dbraw/zinc/22/85/88/555228588.db2.gz XEQMUZRCLVLAMD-GOSISDBHSA-N 0 0 542.467 4.679 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c3ccccc32)C1 ZINC000103046835 555228834 /nfs/dbraw/zinc/22/88/34/555228834.db2.gz XEQMUZRCLVLAMD-SFHVURJKSA-N 0 0 542.467 4.679 50 0 KJAARN COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)CC1 ZINC000103046855 555228737 /nfs/dbraw/zinc/22/87/37/555228737.db2.gz GOWSTCPCCBDENT-UHFFFAOYSA-N 0 0 543.071 4.581 50 0 KJAARN COc1ccc(CCN(CCc2nc(-c3ccc(OC)c(OC)c3)no2)C(=O)Cc2ccc(F)cc2)cc1OC ZINC000103046881 555228821 /nfs/dbraw/zinc/22/88/21/555228821.db2.gz RAWOCWHNRVLBOS-UHFFFAOYSA-N 0 0 549.599 4.767 50 0 KJAARN COCCNC(=O)c1ccc(CSc2nc(N(C)CCc3ccc(OC)c(OC)c3)cc(C(C)(C)C)n2)o1 ZINC000103047036 555228789 /nfs/dbraw/zinc/22/87/89/555228789.db2.gz BQMATYBGKJZVBE-UHFFFAOYSA-N 0 0 542.702 4.732 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Oc3ccc(C(=O)c4ccc(F)cc4)cc3)ccc2Cl)C[C@H](C)O1 ZINC000103047065 555228844 /nfs/dbraw/zinc/22/88/44/555228844.db2.gz PYOFIVLXNIUELI-CALCHBBNSA-N 0 0 531.989 4.727 50 0 KJAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Oc3ccc(C(=O)c4ccc(F)cc4)cc3)ccc2Cl)C[C@H](C)O1 ZINC000103047067 555228771 /nfs/dbraw/zinc/22/87/71/555228771.db2.gz PYOFIVLXNIUELI-IRXDYDNUSA-N 0 0 531.989 4.727 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Oc3ccc(C(=O)c4ccc(F)cc4)cc3)ccc2Cl)C[C@@H](C)O1 ZINC000103047070 555228849 /nfs/dbraw/zinc/22/88/49/555228849.db2.gz PYOFIVLXNIUELI-IAGOWNOFSA-N 0 0 531.989 4.727 50 0 KJAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)c4ccccc4Cl)CC3)nn2)cc1OC ZINC000103047086 555228750 /nfs/dbraw/zinc/22/87/50/555228750.db2.gz YWUIOOWEFXWHOS-UHFFFAOYSA-N 0 0 630.101 4.534 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)c(F)c3)(C(=O)NCCCn3ccnc3)C[C@H](OCc3ccc(F)c(F)c3)[C@@H]2O1 ZINC000103047321 555229067 /nfs/dbraw/zinc/22/90/67/555229067.db2.gz QLJNYFNPYQBJEQ-DEJVGURISA-N 0 0 591.602 4.801 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)c(F)c3)(C(=O)NCCCn3ccnc3)C[C@@H](OCc3ccc(F)c(F)c3)[C@@H]2O1 ZINC000103047323 555229077 /nfs/dbraw/zinc/22/90/77/555229077.db2.gz QLJNYFNPYQBJEQ-KMFVSHEXSA-N 0 0 591.602 4.801 50 0 KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000103047454 555229298 /nfs/dbraw/zinc/22/92/98/555229298.db2.gz UHHIVOAGOSKCQA-PWRODBHTSA-N 0 0 516.907 4.712 50 0 KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000103047456 555229215 /nfs/dbraw/zinc/22/92/15/555229215.db2.gz UHHIVOAGOSKCQA-NJDAHSKKSA-N 0 0 516.907 4.712 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccc(C)cc3)[C@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000103047484 555229228 /nfs/dbraw/zinc/22/92/28/555229228.db2.gz TYUAYLUPVDBFPJ-YTTGMZPUSA-N 0 0 615.706 4.986 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccc(C)cc3)[C@@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000103047486 555229221 /nfs/dbraw/zinc/22/92/21/555229221.db2.gz TYUAYLUPVDBFPJ-JGCGQSQUSA-N 0 0 615.706 4.986 50 0 KJAARN COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 ZINC000103047529 555229254 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KJAARN O=C(COC(=O)c1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000103054863 1066515864 /nfs/dbraw/zinc/51/58/64/1066515864.db2.gz YTNTYHFKDGWTCN-YPKPFQOOSA-N 0 0 520.485 4.793 50 0 KJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000103054894 1066515885 /nfs/dbraw/zinc/51/58/85/1066515885.db2.gz OGIDZTLKUWHLHT-YPKPFQOOSA-N 0 0 542.635 4.750 50 0 KJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C=CC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000103055212 1066515736 /nfs/dbraw/zinc/51/57/36/1066515736.db2.gz MCHWFUQGTDVYIQ-PFONDFGASA-N 0 0 542.057 4.507 50 0 KJAARN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000103055277 555236757 /nfs/dbraw/zinc/23/67/57/555236757.db2.gz PAJAITLEXCRPFZ-UHFFFAOYSA-N 0 0 536.345 4.783 50 0 KJAARN COc1ccc(CCN(Cc2ccco2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000103055510 555237034 /nfs/dbraw/zinc/23/70/34/555237034.db2.gz XYAIPMMCJGXHMX-UHFFFAOYSA-N 0 0 604.531 4.650 50 0 KJAARN 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KJAARN CCOc1cc(/C=C\C(=O)O[C@@H](C)C(=O)NCc2ccc(OC)cc2)ccc1OCCOc1ccc(F)cc1 ZINC000103059489 1066515830 /nfs/dbraw/zinc/51/58/30/1066515830.db2.gz KIBBPYFMTBZQEY-NSUHCSJYSA-N 0 0 537.584 4.952 50 0 KJAARN CCOc1cc(/C=C\C(=O)O[C@H](C)C(=O)NCc2ccc(OC)cc2)ccc1OCCOc1ccc(F)cc1 ZINC000103059493 1066515926 /nfs/dbraw/zinc/51/59/26/1066515926.db2.gz KIBBPYFMTBZQEY-RCZJECKNSA-N 0 0 537.584 4.952 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC2)OCc2cccc(Cl)c2)c1 ZINC000103059542 555239990 /nfs/dbraw/zinc/23/99/90/555239990.db2.gz KANFTCWOPLOBPA-LFERIPGTSA-N 0 0 575.171 4.949 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC2)OCc2cccc(Cl)c2)c1 ZINC000103059545 555239945 /nfs/dbraw/zinc/23/99/45/555239945.db2.gz KANFTCWOPLOBPA-IOHOYOPVSA-N 0 0 575.171 4.949 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c2cccc(OC)c2)cc1 ZINC000103059563 555239972 /nfs/dbraw/zinc/23/99/72/555239972.db2.gz OVTNWYODQUUGRW-AREMUKBSSA-N 0 0 592.636 4.765 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c2cccc(OC)c2)cc1 ZINC000103059564 555239984 /nfs/dbraw/zinc/23/99/84/555239984.db2.gz OVTNWYODQUUGRW-SANMLTNESA-N 0 0 592.636 4.765 50 0 KJAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000103059838 555240402 /nfs/dbraw/zinc/24/04/02/555240402.db2.gz PMXRVTTYDWYOSF-VOJFVSQTSA-N 0 0 525.813 4.659 50 0 KJAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000103059843 555240348 /nfs/dbraw/zinc/24/03/48/555240348.db2.gz PMXRVTTYDWYOSF-BBATYDOGSA-N 0 0 525.813 4.659 50 0 KJAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000103059845 555240388 /nfs/dbraw/zinc/24/03/88/555240388.db2.gz PMXRVTTYDWYOSF-ZMZPIMSZSA-N 0 0 525.813 4.659 50 0 KJAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000103059849 555240376 /nfs/dbraw/zinc/24/03/76/555240376.db2.gz PMXRVTTYDWYOSF-ADLMAVQZSA-N 0 0 525.813 4.659 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2CC(=O)NCc1ccccn1 ZINC000103059863 555240585 /nfs/dbraw/zinc/24/05/85/555240585.db2.gz PNJNDJOLNVHITC-MUUNZHRXSA-N 0 0 587.677 4.918 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(=O)N2CC(=O)NCc1ccccn1 ZINC000103059865 555240567 /nfs/dbraw/zinc/24/05/67/555240567.db2.gz PNJNDJOLNVHITC-NDEPHWFRSA-N 0 0 587.677 4.918 50 0 KJAARN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)Nc1ccc(Br)cc1Br ZINC000103059918 555240641 /nfs/dbraw/zinc/24/06/41/555240641.db2.gz WFGDQDKOXUUGGT-SFHVURJKSA-N 0 0 558.292 4.553 50 0 KJAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)Nc1ccc(Br)cc1Br ZINC000103059920 555240582 /nfs/dbraw/zinc/24/05/82/555240582.db2.gz WFGDQDKOXUUGGT-GOSISDBHSA-N 0 0 558.292 4.553 50 0 KJAARN COc1cc(C(=O)N[C@H](CCSC)C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc(OC)c1OC ZINC000103060034 555240593 /nfs/dbraw/zinc/24/05/93/555240593.db2.gz GFRGEMCLDVUHIF-JOCHJYFZSA-N 0 0 557.665 4.846 50 0 KJAARN COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc(OC)c1OC ZINC000103060036 555240879 /nfs/dbraw/zinc/24/08/79/555240879.db2.gz GFRGEMCLDVUHIF-QFIPXVFZSA-N 0 0 557.665 4.846 50 0 KJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000103060072 555240868 /nfs/dbraw/zinc/24/08/68/555240868.db2.gz JNWMBRVAPSTRGZ-QGZVFWFLSA-N 0 0 561.509 4.882 50 0 KJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000103060073 555240846 /nfs/dbraw/zinc/24/08/46/555240846.db2.gz JNWMBRVAPSTRGZ-KRWDZBQOSA-N 0 0 561.509 4.882 50 0 KJAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n[nH]1 ZINC000103060158 555241072 /nfs/dbraw/zinc/24/10/72/555241072.db2.gz SFXKCOVIFUIDDK-UHFFFAOYSA-N 0 0 556.497 4.693 50 0 KJAARN Cc1ccc(CO[C@@H]2C[C@](OCc3cccc(C(F)(F)F)c3)(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000103060163 555241027 /nfs/dbraw/zinc/24/10/27/555241027.db2.gz HNWNKOOLTHCAJE-NANFOGFDSA-N 0 0 578.628 4.532 50 0 KJAARN Cc1ccc(CO[C@H]2C[C@](OCc3cccc(C(F)(F)F)c3)(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000103060165 555241010 /nfs/dbraw/zinc/24/10/10/555241010.db2.gz HNWNKOOLTHCAJE-XWDJFTLGSA-N 0 0 578.628 4.532 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NN3CCOCC3)C[C@H](OCc3ccc(F)cc3F)[C@@H]2O1 ZINC000103060183 555241059 /nfs/dbraw/zinc/24/10/59/555241059.db2.gz ZJNNZFYDQMPUDV-HLPJKERBSA-N 0 0 600.581 4.502 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NN3CCOCC3)C[C@@H](OCc3ccc(F)cc3F)[C@@H]2O1 ZINC000103060185 555241032 /nfs/dbraw/zinc/24/10/32/555241032.db2.gz ZJNNZFYDQMPUDV-YKKMPQLRSA-N 0 0 600.581 4.502 50 0 KJAARN CCCCc1ccc(-n2c(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)nnc2-c2cccs2)cc1 ZINC000103060190 555241105 /nfs/dbraw/zinc/24/11/05/555241105.db2.gz AHXXDXKNZCHTNN-UHFFFAOYSA-N 0 0 527.697 4.717 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NN3CCOCC3)C[C@H](OCc3ccc(F)c(F)c3)[C@@H]2O1 ZINC000103060211 555241067 /nfs/dbraw/zinc/24/10/67/555241067.db2.gz LBCIFXNYTTZSLT-HLPJKERBSA-N 0 0 600.581 4.502 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NN3CCOCC3)C[C@@H](OCc3ccc(F)c(F)c3)[C@@H]2O1 ZINC000103060214 555241109 /nfs/dbraw/zinc/24/11/09/555241109.db2.gz LBCIFXNYTTZSLT-YKKMPQLRSA-N 0 0 600.581 4.502 50 0 KJAARN Cc1cccc(CO[C@@]2(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000103060227 555240996 /nfs/dbraw/zinc/24/09/96/555240996.db2.gz CKFCDHLGTBADGW-NANFOGFDSA-N 0 0 578.628 4.532 50 0 KJAARN Cc1cccc(CO[C@@]2(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000103060230 555241347 /nfs/dbraw/zinc/24/13/47/555241347.db2.gz CKFCDHLGTBADGW-XWDJFTLGSA-N 0 0 578.628 4.532 50 0 KJAARN Cc1cc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000103060447 555241546 /nfs/dbraw/zinc/24/15/46/555241546.db2.gz NSYWXYCMAUFBLG-UHFFFAOYSA-N 0 0 537.012 4.814 50 0 KJAARN Cc1cc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000103060453 555241526 /nfs/dbraw/zinc/24/15/26/555241526.db2.gz BZWTYENTEHKAEA-XMMPIXPASA-N 0 0 551.039 4.877 50 0 KJAARN Cc1cc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000103060458 555241563 /nfs/dbraw/zinc/24/15/63/555241563.db2.gz BZWTYENTEHKAEA-DEOSSOPVSA-N 0 0 551.039 4.877 50 0 KJAARN COC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3c(=O)n1CCc1ccc(OC)cc1)CCC2 ZINC000103060575 555241811 /nfs/dbraw/zinc/24/18/11/555241811.db2.gz BFTPLUQKPJIVPX-UHFFFAOYSA-N 0 0 549.674 4.715 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103060616 555241780 /nfs/dbraw/zinc/24/17/80/555241780.db2.gz UOEMZMGBLJYRNN-FQLXRVMXSA-N 0 0 562.663 4.779 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103060617 555241786 /nfs/dbraw/zinc/24/17/86/555241786.db2.gz UOEMZMGBLJYRNN-WDYNHAJCSA-N 0 0 562.663 4.779 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103060619 555241805 /nfs/dbraw/zinc/24/18/05/555241805.db2.gz UOEMZMGBLJYRNN-URLMMPGGSA-N 0 0 562.663 4.779 50 0 KJAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103060621 555241813 /nfs/dbraw/zinc/24/18/13/555241813.db2.gz UOEMZMGBLJYRNN-VMPREFPWSA-N 0 0 562.663 4.779 50 0 KJAARN CCCCn1c(CCC(=O)OCc2csc(-c3ccccc3)n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000103061062 555242200 /nfs/dbraw/zinc/24/22/00/555242200.db2.gz ACIREUOCGMXNBR-UHFFFAOYSA-N 0 0 568.721 4.657 50 0 KJAARN CCOC(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000103061179 555242299 /nfs/dbraw/zinc/24/22/99/555242299.db2.gz KMWITGRFUQFWDI-UHFFFAOYSA-N 0 0 544.007 4.878 50 0 KJAARN CCCNC(=O)CSc1nnc(SCC(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)s1 ZINC000103061764 555242906 /nfs/dbraw/zinc/24/29/06/555242906.db2.gz UDXUCWYJCUFBFE-UHFFFAOYSA-N 0 0 536.726 4.792 50 0 KJAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccccc4)[C@@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000103061861 555243150 /nfs/dbraw/zinc/24/31/50/555243150.db2.gz FQYKBHGXLCYHIN-DEOSSOPVSA-N 0 0 535.648 4.704 50 0 KJAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccccc4)[C@H](C)c4ccccc4)CC3)nn2)cc1 ZINC000103061866 555243099 /nfs/dbraw/zinc/24/30/99/555243099.db2.gz FQYKBHGXLCYHIN-XMMPIXPASA-N 0 0 535.648 4.704 50 0 KJAARN CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000103062502 555243573 /nfs/dbraw/zinc/24/35/73/555243573.db2.gz SYMUWJGCKLIYFT-UHFFFAOYSA-N 0 0 620.135 4.646 50 0 KJAARN C[C@@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC2)C1=O)c1ccccc1 ZINC000103062503 555243535 /nfs/dbraw/zinc/24/35/35/555243535.db2.gz XENIWSDSHLCXSY-JWQCQUIFSA-N 0 0 532.729 4.994 50 0 KJAARN C[C@@H](CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N[C@H](C)c1ccccc1)CN2c1ccccc1)CC(C)(C)C ZINC000103062506 555243544 /nfs/dbraw/zinc/24/35/44/555243544.db2.gz XENIWSDSHLCXSY-LOSJGSFVSA-N 0 0 532.729 4.994 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 ZINC000103062602 555243548 /nfs/dbraw/zinc/24/35/48/555243548.db2.gz KLXDQINAYOORSF-UHFFFAOYSA-N 0 0 570.737 4.816 50 0 KJAARN O=C(c1csc(COc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)c2ccco2)CC3)n1)N1CCOCC1 ZINC000103062645 555243743 /nfs/dbraw/zinc/24/37/43/555243743.db2.gz QWKZJNOMHNPLBV-MHZLTWQESA-N 0 0 547.608 4.715 50 0 KJAARN O=C(c1csc(COc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)c2ccco2)CC3)n1)N1CCOCC1 ZINC000103062648 555243766 /nfs/dbraw/zinc/24/37/66/555243766.db2.gz QWKZJNOMHNPLBV-HHHXNRCGSA-N 0 0 547.608 4.715 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000103062758 555243736 /nfs/dbraw/zinc/24/37/36/555243736.db2.gz BFKDZMMFAFWZTM-UHFFFAOYSA-N 0 0 556.113 4.936 50 0 KJAARN CN1C2=C(C(=O)N(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[C@H](c2cccc(Cl)c2Cl)NC1=O ZINC000103062831 555243748 /nfs/dbraw/zinc/24/37/48/555243748.db2.gz MUVNVJUDIITSCA-DEOSSOPVSA-N 0 0 596.437 4.544 50 0 KJAARN CN1C2=C(C(=O)N(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[C@@H](c2cccc(Cl)c2Cl)NC1=O ZINC000103062833 555243782 /nfs/dbraw/zinc/24/37/82/555243782.db2.gz MUVNVJUDIITSCA-XMMPIXPASA-N 0 0 596.437 4.544 50 0 KJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000103062870 555243733 /nfs/dbraw/zinc/24/37/33/555243733.db2.gz UVXPPWDMFLQDNK-GOSISDBHSA-N 0 0 591.155 4.614 50 0 KJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000103062873 555243818 /nfs/dbraw/zinc/24/38/18/555243818.db2.gz UVXPPWDMFLQDNK-SFHVURJKSA-N 0 0 591.155 4.614 50 0 KJAARN CCN1C2=C(C(=O)N(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103062883 555243762 /nfs/dbraw/zinc/24/37/62/555243762.db2.gz SSVZCMRWXRPVEQ-DEOSSOPVSA-N 0 0 596.437 4.544 50 0 KJAARN CCN1C2=C(C(=O)N(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103062888 555243806 /nfs/dbraw/zinc/24/38/06/555243806.db2.gz SSVZCMRWXRPVEQ-XMMPIXPASA-N 0 0 596.437 4.544 50 0 KJAARN Cc1cc(C)c(-c2cc(NC(=O)COC(=O)CNS(=O)(=O)/C=C\c3ccccc3)n(-c3ccccc3)n2)cc1C ZINC000103063181 1066515843 /nfs/dbraw/zinc/51/58/43/1066515843.db2.gz CVYMRLGAZCYIJP-PFONDFGASA-N 0 0 558.660 4.537 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(F)c2)Cc2ccco2)cc1 ZINC000103063297 555243982 /nfs/dbraw/zinc/24/39/82/555243982.db2.gz LAWHBFQSUNJEAS-SANMLTNESA-N 0 0 570.664 4.885 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2cccc(F)c2)Cc2ccco2)cc1 ZINC000103063301 555244018 /nfs/dbraw/zinc/24/40/18/555244018.db2.gz LAWHBFQSUNJEAS-AREMUKBSSA-N 0 0 570.664 4.885 50 0 KJAARN O=C(COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000103063303 555244022 /nfs/dbraw/zinc/24/40/22/555244022.db2.gz DJHCTNOJAIWMHE-UHFFFAOYSA-N 0 0 596.514 4.646 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCN(C[C@H](OCc3c(F)cccc3F)c3ccc(Cl)cc3)CC2)cc1OC ZINC000103063517 555244226 /nfs/dbraw/zinc/24/42/26/555244226.db2.gz QZAZDAOARJVXEC-MHZLTWQESA-N 0 0 567.054 4.900 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCN(C[C@@H](OCc3c(F)cccc3F)c3ccc(Cl)cc3)CC2)cc1OC ZINC000103063519 555244169 /nfs/dbraw/zinc/24/41/69/555244169.db2.gz QZAZDAOARJVXEC-HHHXNRCGSA-N 0 0 567.054 4.900 50 0 KJAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C[C@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000103063570 555244218 /nfs/dbraw/zinc/24/42/18/555244218.db2.gz NYNOWSGVHUBMSP-QFIPXVFZSA-N 0 0 559.466 4.578 50 0 KJAARN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C[C@@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000103063573 555244177 /nfs/dbraw/zinc/24/41/77/555244177.db2.gz NYNOWSGVHUBMSP-JOCHJYFZSA-N 0 0 559.466 4.578 50 0 KJAARN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2csc(Nc3cccc(Cl)c3Cl)n2)CC1 ZINC000103063667 555244471 /nfs/dbraw/zinc/24/44/71/555244471.db2.gz FAWQELXZHDRFHX-HXUWFJFHSA-N 0 0 532.497 4.699 50 0 KJAARN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2csc(Nc3cccc(Cl)c3Cl)n2)CC1 ZINC000103063669 555244462 /nfs/dbraw/zinc/24/44/62/555244462.db2.gz FAWQELXZHDRFHX-FQEVSTJZSA-N 0 0 532.497 4.699 50 0 KJAARN COc1ccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)Nc3ccc(OC)cc3OC)s2)cc1 ZINC000103063894 555244736 /nfs/dbraw/zinc/24/47/36/555244736.db2.gz VEEBDBQIWNUPFY-JOCHJYFZSA-N 0 0 533.610 4.602 50 0 KJAARN COc1ccc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NC(=O)Nc3ccc(OC)cc3OC)s2)cc1 ZINC000103063896 555244738 /nfs/dbraw/zinc/24/47/38/555244738.db2.gz VEEBDBQIWNUPFY-QFIPXVFZSA-N 0 0 533.610 4.602 50 0 KJAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O)NCCc1ccc(Cl)cc1Cl ZINC000103063990 555244763 /nfs/dbraw/zinc/24/47/63/555244763.db2.gz CWDDNXVNSLIEGK-UHFFFAOYSA-N 0 0 594.543 4.703 50 0 KJAARN COCCn1c(SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)nnc1-c1cccc(OC)c1 ZINC000103064327 555244899 /nfs/dbraw/zinc/24/48/99/555244899.db2.gz ZOBLJKOLDLETAM-UHFFFAOYSA-N 0 0 561.683 4.994 50 0 KJAARN COCCn1c(Cc2ccccc2)nnc1SCc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000103064393 555244881 /nfs/dbraw/zinc/24/48/81/555244881.db2.gz SJHXLOYAIAALGQ-UHFFFAOYSA-N 0 0 545.684 4.909 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)c1 ZINC000103064468 555245238 /nfs/dbraw/zinc/24/52/38/555245238.db2.gz SNEHSTCKOQNJEP-UHFFFAOYSA-N 0 0 563.126 4.862 50 0 KJAARN O=C(NCc1ccncc1)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc3c(c2)OCO3)n1 ZINC000103064646 555245396 /nfs/dbraw/zinc/24/53/96/555245396.db2.gz NLVFEWQOECPLJQ-UHFFFAOYSA-N 0 0 524.499 4.950 50 0 KJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000103064690 555245383 /nfs/dbraw/zinc/24/53/83/555245383.db2.gz TVBBGDUDJHQXET-UHFFFAOYSA-N 0 0 551.669 4.979 50 0 KJAARN O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000103064787 555245410 /nfs/dbraw/zinc/24/54/10/555245410.db2.gz QQPVFDRHRBHVJJ-UHFFFAOYSA-N 0 0 549.631 4.741 50 0 KJAARN COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000103064809 555245425 /nfs/dbraw/zinc/24/54/25/555245425.db2.gz DDORDQYWGXSOCD-UHFFFAOYSA-N 0 0 563.459 4.553 50 0 KJAARN CC(C)n1c(CN(CCN2CCOCC2)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000103065440 555245880 /nfs/dbraw/zinc/24/58/80/555245880.db2.gz DEXZMKFXBFDHLI-UHFFFAOYSA-N 0 0 579.550 4.719 50 0 KJAARN CC(C)n1c(CN(CCN2CCOCC2)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000103065444 555245875 /nfs/dbraw/zinc/24/58/75/555245875.db2.gz FNQHAVJUSZWNMX-UHFFFAOYSA-N 0 0 579.550 4.719 50 0 KJAARN Cc1ccc(C(=O)N(CCN2CCOCC2)Cc2cnc(S(=O)(=O)Cc3cccc(C)c3)n2C2CCCCC2)cc1 ZINC000103065451 555245878 /nfs/dbraw/zinc/24/58/78/555245878.db2.gz IMWDEQIWHXQHEZ-UHFFFAOYSA-N 0 0 578.779 4.954 50 0 KJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000103065687 555246106 /nfs/dbraw/zinc/24/61/06/555246106.db2.gz TXNZXYQXDJLJOT-UHFFFAOYSA-N 0 0 527.118 4.832 50 0 KJAARN O=C(COc1ccc(Br)cc1Br)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000103065802 555246339 /nfs/dbraw/zinc/24/63/39/555246339.db2.gz YTFBSLMUTKAQMK-UHFFFAOYSA-N 0 0 524.190 4.556 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CCN3CCOCC3)C(=O)CC(C)(C)C)n2C2CCCCC2)c1 ZINC000103065914 555246226 /nfs/dbraw/zinc/24/62/26/555246226.db2.gz DMSYDGLZQUPEPO-UHFFFAOYSA-N 0 0 558.789 4.768 50 0 KJAARN COc1cc(F)ccc1S(=O)(=O)N1CCN(c2nc(-c3ccc(C)cc3)nc3cc(Cl)ccc32)CC1 ZINC000103066079 555246540 /nfs/dbraw/zinc/24/65/40/555246540.db2.gz GWEIUJJHDQIFLP-UHFFFAOYSA-N 0 0 527.021 4.917 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(C)cc(N4CCN(c5ccccc5F)CC4)n3)cc2)CC1 ZINC000103066085 555246550 /nfs/dbraw/zinc/24/65/50/555246550.db2.gz CDOUFQGBFGYSEX-UHFFFAOYSA-N 0 0 577.726 4.958 50 0 KJAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(=O)c4ccc(Cl)cc4)CC3)nn2)c1 ZINC000103066485 555246622 /nfs/dbraw/zinc/24/66/22/555246622.db2.gz DBMSMAFWIWHELX-UHFFFAOYSA-N 0 0 536.076 4.643 50 0 KJAARN Cc1ccccc1C(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccc(F)cc1 ZINC000103066488 555246672 /nfs/dbraw/zinc/24/66/72/555246672.db2.gz WVAJOTAEEJTFMF-UHFFFAOYSA-N 0 0 537.639 4.972 50 0 KJAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)c4ccccc4F)CC3)nn2)cc1OC ZINC000103066560 555246952 /nfs/dbraw/zinc/24/69/52/555246952.db2.gz CRLOLVBUMPFMNE-UHFFFAOYSA-N 0 0 601.654 4.820 50 0 KJAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)c4cccc(F)c4)CC3)nn2)cc1OC ZINC000103066586 555246960 /nfs/dbraw/zinc/24/69/60/555246960.db2.gz XTAMXBUOFDMDLW-UHFFFAOYSA-N 0 0 601.654 4.820 50 0 KJAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000103066802 555246982 /nfs/dbraw/zinc/24/69/82/555246982.db2.gz MWIAXGWWAFAOMC-UHFFFAOYSA-N 0 0 534.878 4.595 50 0 KJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)c1 ZINC000103066855 555246938 /nfs/dbraw/zinc/24/69/38/555246938.db2.gz WKAFEXOBAVJKGD-UHFFFAOYSA-N 0 0 557.101 4.879 50 0 KJAARN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103067001 555247172 /nfs/dbraw/zinc/24/71/72/555247172.db2.gz HKDJWZQPXIGDHQ-UHFFFAOYSA-N 0 0 532.858 4.964 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(C(F)(F)F)nc1)n2C[C@@H]1CCCO1 ZINC000103067107 555247407 /nfs/dbraw/zinc/24/74/07/555247407.db2.gz ZLMZETOFRDVGJL-KRWDZBQOSA-N 0 0 528.622 4.952 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(C(F)(F)F)nc1)n2C[C@H]1CCCO1 ZINC000103067110 555247408 /nfs/dbraw/zinc/24/74/08/555247408.db2.gz ZLMZETOFRDVGJL-QGZVFWFLSA-N 0 0 528.622 4.952 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000103067219 555247387 /nfs/dbraw/zinc/24/73/87/555247387.db2.gz FLRISKAENBEEEU-UHFFFAOYSA-N 0 0 537.039 4.987 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000103067250 555247645 /nfs/dbraw/zinc/24/76/45/555247645.db2.gz PBAQXDGPTOSRKT-UHFFFAOYSA-N 0 0 523.061 4.894 50 0 KJAARN CC(C)N(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccc(F)cc1 ZINC000103067500 555247656 /nfs/dbraw/zinc/24/76/56/555247656.db2.gz ZFDUNLXUEWPNIE-UHFFFAOYSA-N 0 0 535.595 4.808 50 0 KJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000103067604 555247793 /nfs/dbraw/zinc/24/77/93/555247793.db2.gz OYTHQHLIUVSYKX-UHFFFAOYSA-N 0 0 538.000 4.683 50 0 KJAARN CCOC(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2cc(NC(=O)CCc3ccccc3)ccc21 ZINC000103067713 555248064 /nfs/dbraw/zinc/24/80/64/555248064.db2.gz HOADMGZIYITTOD-UHFFFAOYSA-N 0 0 537.616 4.543 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CCN3CCOCC3)C(=O)c3ccc(F)cc3)n2C2CCCCC2)c1 ZINC000103067734 555248085 /nfs/dbraw/zinc/24/80/85/555248085.db2.gz PGNCKCHHODACPB-UHFFFAOYSA-N 0 0 582.742 4.784 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CCN3CCOCC3)C(=O)c3ccccc3)n2C2CCCCC2)c1 ZINC000103067799 555248028 /nfs/dbraw/zinc/24/80/28/555248028.db2.gz RAERTHQPAYNEJO-UHFFFAOYSA-N 0 0 564.752 4.645 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CCN3CCOCC3)C(=O)c3cccs3)n2C2CCCCC2)c1 ZINC000103067813 555248011 /nfs/dbraw/zinc/24/80/11/555248011.db2.gz SKJGUEIBUCNEKS-UHFFFAOYSA-N 0 0 570.781 4.707 50 0 KJAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCN(C(=O)c4ccco4)CC3)c(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000103067912 555248280 /nfs/dbraw/zinc/24/82/80/555248280.db2.gz QBDVUPOUEJRTHK-UHFFFAOYSA-N 0 0 590.677 4.810 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3C3CCCCC3)CC2)cc1 ZINC000103068431 555249085 /nfs/dbraw/zinc/24/90/85/555249085.db2.gz OGJGQIIYZHYVGZ-UHFFFAOYSA-N 0 0 557.717 4.523 50 0 KJAARN Cc1ccccc1CS(=O)(=O)c1ncc(CN(CCN2CCOCC2)C(=O)c2cccc(Cl)c2)n1Cc1ccccc1 ZINC000103068478 555249219 /nfs/dbraw/zinc/24/92/19/555249219.db2.gz PQGCSSFIJYFUAF-UHFFFAOYSA-N 0 0 607.176 4.842 50 0 KJAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)c1 ZINC000103068570 555249216 /nfs/dbraw/zinc/24/92/16/555249216.db2.gz UKGGXJDWHXJOCW-UHFFFAOYSA-N 0 0 550.504 4.591 50 0 KJAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103068579 555249238 /nfs/dbraw/zinc/24/92/38/555249238.db2.gz KTVSYARFMZPBTQ-UHFFFAOYSA-N 0 0 574.779 4.715 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CCN3CCOCC3)C(=O)c3ccccc3F)n2C2CCCCC2)c1 ZINC000103068680 555249409 /nfs/dbraw/zinc/24/94/09/555249409.db2.gz YEQNXIAGFQBVOO-UHFFFAOYSA-N 0 0 582.742 4.784 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CCN3CCOCC3)C(=O)c3ccccc3C)n2C2CCCCC2)c1 ZINC000103068693 555249456 /nfs/dbraw/zinc/24/94/56/555249456.db2.gz QIKHMLZSECXFQW-UHFFFAOYSA-N 0 0 578.779 4.954 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(C(=O)OCC)c1C ZINC000103068742 555249482 /nfs/dbraw/zinc/24/94/82/555249482.db2.gz NPYKLBASVFFJPO-UHFFFAOYSA-N 0 0 540.623 4.981 50 0 KJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)n2C2CCCCC2)c1 ZINC000103068761 555249486 /nfs/dbraw/zinc/24/94/86/555249486.db2.gz ZGQSQXLFWARIOV-UHFFFAOYSA-N 0 0 582.742 4.784 50 0 KJAARN O=C(c1cccc(Cl)c1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1 ZINC000103068797 555249436 /nfs/dbraw/zinc/24/94/36/555249436.db2.gz FJBQSPIPULEKKD-UHFFFAOYSA-N 0 0 611.139 4.672 50 0 KJAARN O=C(c1cccc(Cl)c1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1 ZINC000103068897 555249690 /nfs/dbraw/zinc/24/96/90/555249690.db2.gz OYWXVYUAGAWJOJ-UHFFFAOYSA-N 0 0 593.149 4.533 50 0 KJAARN CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000103069042 555249659 /nfs/dbraw/zinc/24/96/59/555249659.db2.gz LAXPCAQZFLGOOD-UHFFFAOYSA-N 0 0 566.102 4.795 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000103069063 555249926 /nfs/dbraw/zinc/24/99/26/555249926.db2.gz HBHFHNXGFQKZCM-UHFFFAOYSA-N 0 0 545.659 4.980 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103069142 555249875 /nfs/dbraw/zinc/24/98/75/555249875.db2.gz RLRPFCKRKADDFK-ROJLCIKYSA-N 0 0 603.785 4.919 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103069145 555249930 /nfs/dbraw/zinc/24/99/30/555249930.db2.gz RLRPFCKRKADDFK-ZWXJPIIXSA-N 0 0 603.785 4.919 50 0 KJAARN CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000103069171 555249955 /nfs/dbraw/zinc/24/99/55/555249955.db2.gz NFMCJILAADKGNX-UHFFFAOYSA-N 0 0 536.076 4.787 50 0 KJAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)c3ccccc3)cc2)CC1 ZINC000103069214 555249880 /nfs/dbraw/zinc/24/98/80/555249880.db2.gz VFCBDSXYMTXDNF-UHFFFAOYSA-N 0 0 545.659 4.737 50 0 KJAARN O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103069457 555250150 /nfs/dbraw/zinc/25/01/50/555250150.db2.gz CPTFGSMBINLSRD-UHFFFAOYSA-N 0 0 618.762 4.866 50 0 KJAARN CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000103069507 555250145 /nfs/dbraw/zinc/25/01/45/555250145.db2.gz NLCVDFWQZZUENB-UHFFFAOYSA-N 0 0 550.059 4.507 50 0 KJAARN CCCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)CCC3 ZINC000103069754 555250356 /nfs/dbraw/zinc/25/03/56/555250356.db2.gz MLIIOXTXEDJTOX-UHFFFAOYSA-N 0 0 560.767 4.571 50 0 KJAARN CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000103069757 555250344 /nfs/dbraw/zinc/25/03/44/555250344.db2.gz RJBRRKDEJHUWKR-UHFFFAOYSA-N 0 0 536.076 4.787 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)CC2=CSC3=NC(CC)=C(C(=O)OC)[C@H](c4cc(C)ccc4C)N23)C1 ZINC000103069822 555250526 /nfs/dbraw/zinc/25/05/26/555250526.db2.gz CHJOVVJSSUTCMK-DFBJGRDBSA-N 0 0 525.671 4.633 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)CC2=CSC3=NC(CC)=C(C(=O)OC)[C@@H](c4cc(C)ccc4C)N23)C1 ZINC000103069826 555250518 /nfs/dbraw/zinc/25/05/18/555250518.db2.gz CHJOVVJSSUTCMK-UQBPGWFLSA-N 0 0 525.671 4.633 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)CC2=CSC3=NC(CC)=C(C(=O)OC)[C@H](c4cc(C)ccc4C)N23)C1 ZINC000103069828 555250513 /nfs/dbraw/zinc/25/05/13/555250513.db2.gz CHJOVVJSSUTCMK-CLOONOSVSA-N 0 0 525.671 4.633 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)CC2=CSC3=NC(CC)=C(C(=O)OC)[C@@H](c4cc(C)ccc4C)N23)C1 ZINC000103069831 555250516 /nfs/dbraw/zinc/25/05/16/555250516.db2.gz CHJOVVJSSUTCMK-KBMIEXCESA-N 0 0 525.671 4.633 50 0 KJAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc(C(=O)OC)o3)n2-c2cccc(OC)c2)c1 ZINC000103069865 555250524 /nfs/dbraw/zinc/25/05/24/555250524.db2.gz FJFFOSNIOVQRRC-UHFFFAOYSA-N 0 0 556.666 4.645 50 0 KJAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2CCc2ccccc2)c1 ZINC000103069891 555250535 /nfs/dbraw/zinc/25/05/35/555250535.db2.gz YULZKVLYYSPJBX-UHFFFAOYSA-N 0 0 593.731 4.678 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000103069908 555250743 /nfs/dbraw/zinc/25/07/43/555250743.db2.gz WEVGJFGETUXXCN-UHFFFAOYSA-N 0 0 545.659 4.980 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000103069914 555250734 /nfs/dbraw/zinc/25/07/34/555250734.db2.gz QIENKWVIHAVBML-UHFFFAOYSA-N 0 0 540.595 4.906 50 0 KJAARN COc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000103069928 555250774 /nfs/dbraw/zinc/25/07/74/555250774.db2.gz QKXRYRWACNHWIY-UHFFFAOYSA-N 0 0 572.112 4.886 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000103069936 555250667 /nfs/dbraw/zinc/25/06/67/555250667.db2.gz REOLEEPSITZONL-UHFFFAOYSA-N 0 0 543.668 4.968 50 0 KJAARN COc1cccc(-n2c(SCC(=O)c3c(C)[nH]c4ccccc43)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000103069943 555250710 /nfs/dbraw/zinc/25/07/10/555250710.db2.gz CEXXVVPXLFNPOW-UHFFFAOYSA-N 0 0 561.689 4.958 50 0 KJAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000103069962 555250739 /nfs/dbraw/zinc/25/07/39/555250739.db2.gz DRDRIJGIEMCAON-UHFFFAOYSA-N 0 0 533.701 4.586 50 0 KJAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1-c1ccccc1 ZINC000103070098 555250896 /nfs/dbraw/zinc/25/08/96/555250896.db2.gz RFBUVTZUDVLXAK-UHFFFAOYSA-N 0 0 537.667 4.741 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c1 ZINC000103070109 555250894 /nfs/dbraw/zinc/25/08/94/555250894.db2.gz IDIWBTSYANARQS-UHFFFAOYSA-N 0 0 539.683 4.905 50 0 KJAARN CCCCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000103070182 555251211 /nfs/dbraw/zinc/25/12/11/555251211.db2.gz ITAOVCYFVDFPPS-UHFFFAOYSA-N 0 0 532.670 4.511 50 0 KJAARN O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000103070379 555251269 /nfs/dbraw/zinc/25/12/69/555251269.db2.gz LMBWSJAYEKSYGJ-NRFANRHFSA-N 0 0 549.407 4.930 50 0 KJAARN O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000103070382 555251256 /nfs/dbraw/zinc/25/12/56/555251256.db2.gz LMBWSJAYEKSYGJ-OAQYLSRUSA-N 0 0 549.407 4.930 50 0 KJAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000103070409 1066515903 /nfs/dbraw/zinc/51/59/03/1066515903.db2.gz MLNDTLNNQUJGJW-QXPKXGMISA-N 0 0 544.054 4.590 50 0 KJAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000103070411 1066515756 /nfs/dbraw/zinc/51/57/56/1066515756.db2.gz MLNDTLNNQUJGJW-MQNTZWLQSA-N 0 0 544.054 4.590 50 0 KJAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000103070594 1066515854 /nfs/dbraw/zinc/51/58/54/1066515854.db2.gz OVUZVJHDOYIKGJ-YAINUAMHSA-N 0 0 538.025 4.792 50 0 KJAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000103070596 1066515728 /nfs/dbraw/zinc/51/57/28/1066515728.db2.gz OVUZVJHDOYIKGJ-JZHDPFOFSA-N 0 0 538.025 4.792 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000103070605 555251335 /nfs/dbraw/zinc/25/13/35/555251335.db2.gz IXOAEOQWPNMVSB-UHFFFAOYSA-N 0 0 588.671 4.639 50 0 KJAARN Cc1ccccc1Nc1nc(N)nc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)n1 ZINC000103070681 555251305 /nfs/dbraw/zinc/25/13/05/555251305.db2.gz IFDAWMMQLCFAET-INIZCTEOSA-N 0 0 535.699 4.627 50 0 KJAARN Cc1ccccc1Nc1nc(N)nc(CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)n1 ZINC000103070683 555251315 /nfs/dbraw/zinc/25/13/15/555251315.db2.gz IFDAWMMQLCFAET-MRXNPFEDSA-N 0 0 535.699 4.627 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3cccc4cccnc43)CC2)n1 ZINC000103070723 555251354 /nfs/dbraw/zinc/25/13/54/555251354.db2.gz RQCXBPKQNVCOGN-UHFFFAOYSA-N 0 0 555.708 4.916 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCN(C(C)=O)CC2)C(=O)CS[C@H]3c2ccc(F)cc2)cc1 ZINC000103070795 555251695 /nfs/dbraw/zinc/25/16/95/555251695.db2.gz KDHSBMZTBJDJKU-YTTGMZPUSA-N 0 0 613.715 4.547 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCN(C(C)=O)CC2)C(=O)CS[C@@H]3c2ccc(F)cc2)cc1 ZINC000103070798 555251681 /nfs/dbraw/zinc/25/16/81/555251681.db2.gz KDHSBMZTBJDJKU-JGCGQSQUSA-N 0 0 613.715 4.547 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)c4ccco4)cc3)CC2)cc1 ZINC000103070844 555251658 /nfs/dbraw/zinc/25/16/58/555251658.db2.gz JLUGMANGUCCFNV-UHFFFAOYSA-N 0 0 536.632 4.832 50 0 KJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)NC(C)(C)C)cc3)CC2)cc1 ZINC000103070858 555251672 /nfs/dbraw/zinc/25/16/72/555251672.db2.gz ITKKYNJJLCTGRQ-UHFFFAOYSA-N 0 0 541.696 4.906 50 0 KJAARN CCOC(=O)C1=C(COC(=O)C=Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)NC(=O)N[C@@H]1c1ccccc1 ZINC000103070913 1066515706 /nfs/dbraw/zinc/51/57/06/1066515706.db2.gz KUADKSVGYZHGOF-BUOWTUAJSA-N 0 0 549.027 4.629 50 0 KJAARN CCOC(=O)C1=C(COC(=O)C=Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)NC(=O)N[C@H]1c1ccccc1 ZINC000103070919 1066515683 /nfs/dbraw/zinc/51/56/83/1066515683.db2.gz KUADKSVGYZHGOF-VMPOVSTKSA-N 0 0 549.027 4.629 50 0 KJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C\C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000103070944 1066515814 /nfs/dbraw/zinc/51/58/14/1066515814.db2.gz BMTJAEWFTWOHRD-KHPPLWFESA-N 0 0 543.451 4.887 50 0 KJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000103071031 1066515722 /nfs/dbraw/zinc/51/57/22/1066515722.db2.gz ZBGGCAPVNGZXSG-KHPPLWFESA-N 0 0 527.836 4.915 50 0 KJAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)N(Cc1ccccc1)Cc1ccccc1 ZINC000103071270 555251668 /nfs/dbraw/zinc/25/16/68/555251668.db2.gz GLEVZFHJJZIDRX-UHFFFAOYSA-N 0 0 531.634 4.554 50 0 KJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1S(=O)(=O)N1CCCCC1 ZINC000103072026 555252084 /nfs/dbraw/zinc/25/20/84/555252084.db2.gz AXBFGOFVWLWUDS-UHFFFAOYSA-N 0 0 557.742 4.694 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)CSc1nnc(-c2ccccc2OC)n1CC ZINC000103072354 555252283 /nfs/dbraw/zinc/25/22/83/555252283.db2.gz BZBIDNKQSAULEX-UHFFFAOYSA-N 0 0 559.714 4.733 50 0 KJAARN COc1cc2c(cc1NC(=O)CSc1nc3ccccc3c(=O)n1CCCN1CCOCC1)oc1ccccc12 ZINC000103072869 555252666 /nfs/dbraw/zinc/25/26/66/555252666.db2.gz AYYTXGNJLWTVAK-UHFFFAOYSA-N 0 0 558.660 4.758 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccccc3Cl)C2)cc1C ZINC000103072967 555252662 /nfs/dbraw/zinc/25/26/62/555252662.db2.gz GMDJXCUATFQHRS-MHZLTWQESA-N 0 0 554.135 4.777 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000103072969 555252613 /nfs/dbraw/zinc/25/26/13/555252613.db2.gz GMDJXCUATFQHRS-HHHXNRCGSA-N 0 0 554.135 4.777 50 0 KJAARN CCCN(CC(=O)Nc1cc(N2CCN(C(=O)NC(C)C)CC2)ccc1Cl)C(=O)c1ccc(Cl)cc1 ZINC000103073089 555252886 /nfs/dbraw/zinc/25/28/86/555252886.db2.gz OQDAJZDXOBEIFE-UHFFFAOYSA-N 0 0 534.488 4.724 50 0 KJAARN Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000103073126 555252767 /nfs/dbraw/zinc/25/27/67/555252767.db2.gz DERFYVCBJFOOSE-UHFFFAOYSA-N 0 0 543.469 4.817 50 0 KJAARN O=C(Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1)c1ccco1 ZINC000103073165 555252756 /nfs/dbraw/zinc/25/27/56/555252756.db2.gz BVFKOYAKXXXNRB-UHFFFAOYSA-N 0 0 547.631 4.765 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103073326 555252835 /nfs/dbraw/zinc/25/28/35/555252835.db2.gz XMEPELMPOQPMJF-UHFFFAOYSA-N 0 0 600.141 4.742 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000103073339 555252793 /nfs/dbraw/zinc/25/27/93/555252793.db2.gz QZNGANYETFTNPM-UHFFFAOYSA-N 0 0 540.595 4.906 50 0 KJAARN Cc1c(NC(=O)[C@@H](C)Oc2c(Br)cc(Br)c3cccnc32)c(=O)n(-c2ccccc2)n1C ZINC000103073502 555253183 /nfs/dbraw/zinc/25/31/83/555253183.db2.gz ABOQIOOKLBVJLH-CQSZACIVSA-N 0 0 560.246 4.964 50 0 KJAARN Cc1c(NC(=O)[C@H](C)Oc2c(Br)cc(Br)c3cccnc32)c(=O)n(-c2ccccc2)n1C ZINC000103073504 555253200 /nfs/dbraw/zinc/25/32/00/555253200.db2.gz ABOQIOOKLBVJLH-AWEZNQCLSA-N 0 0 560.246 4.964 50 0 KJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000103074094 555253534 /nfs/dbraw/zinc/25/35/34/555253534.db2.gz SEHAWNSKFRFXKK-UHFFFAOYSA-N 0 0 550.420 4.932 50 0 KJAARN COc1ccc(NC(=O)COC(=O)c2cccnc2SCC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl ZINC000103074105 555253745 /nfs/dbraw/zinc/25/37/45/555253745.db2.gz NEOCUNKASXGFBK-UHFFFAOYSA-N 0 0 550.420 4.932 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)S(=O)(=O)c1ccc(OC)cc1 ZINC000103074128 555253729 /nfs/dbraw/zinc/25/37/29/555253729.db2.gz WJCMCMJHFUQGKI-QHCPKHFHSA-N 0 0 532.659 4.502 50 0 KJAARN 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COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)Cc4ccccc4)[C@@H](C)c4ccccc4)CC3)nn2)cc1OC ZINC000103097309 555274700 /nfs/dbraw/zinc/27/47/00/555274700.db2.gz AASAKPFXHYQWQH-VWLOTQADSA-N 0 0 579.701 4.642 50 0 KJAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)Cc4ccccc4)[C@H](C)c4ccccc4)CC3)nn2)cc1OC ZINC000103097313 555274658 /nfs/dbraw/zinc/27/46/58/555274658.db2.gz AASAKPFXHYQWQH-RUZDIDTESA-N 0 0 579.701 4.642 50 0 KJAARN COc1ccc(C(=O)N(CCc2ccccc2)CC(=O)N2CCCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000103097316 555274638 /nfs/dbraw/zinc/27/46/38/555274638.db2.gz VHZYXLPZJYXTJQ-UHFFFAOYSA-N 0 0 549.675 4.576 50 0 KJAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)c4cccc(F)c4)CC3)nn2)c1 ZINC000103097329 555274672 /nfs/dbraw/zinc/27/46/72/555274672.db2.gz SFLWXIFTBUAOCM-UHFFFAOYSA-N 0 0 571.628 4.812 50 0 KJAARN COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000103097671 555274771 /nfs/dbraw/zinc/27/47/71/555274771.db2.gz FTCURDHIINQWIS-UHFFFAOYSA-N 0 0 553.571 4.652 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2cccc(C)c2)[C@H](c2cccs2)SCC1=O ZINC000103097841 555274808 /nfs/dbraw/zinc/27/48/08/555274808.db2.gz RSNUCGBGYZTNAP-MHZLTWQESA-N 0 0 532.691 4.841 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2cccc(C)c2)[C@@H](c2cccs2)SCC1=O ZINC000103097844 555274818 /nfs/dbraw/zinc/27/48/18/555274818.db2.gz RSNUCGBGYZTNAP-HHHXNRCGSA-N 0 0 532.691 4.841 50 0 KJAARN Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000103097864 555275127 /nfs/dbraw/zinc/27/51/27/555275127.db2.gz ZPPMJKXTPBWMML-UHFFFAOYSA-N 0 0 560.628 4.747 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2ccccc2F)SCC1=O ZINC000103097911 555275119 /nfs/dbraw/zinc/27/51/19/555275119.db2.gz AZWPLFLCYMCCBN-RUZDIDTESA-N 0 0 542.652 4.770 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2ccccc2F)SCC1=O ZINC000103097916 555275121 /nfs/dbraw/zinc/27/51/21/555275121.db2.gz AZWPLFLCYMCCBN-VWLOTQADSA-N 0 0 542.652 4.770 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2ccc(F)cc2F)SCC1=O ZINC000103097939 555275104 /nfs/dbraw/zinc/27/51/04/555275104.db2.gz ZUURCUCFQJHYPL-AREMUKBSSA-N 0 0 572.678 4.779 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2ccc(F)cc2F)SCC1=O ZINC000103097943 555275117 /nfs/dbraw/zinc/27/51/17/555275117.db2.gz ZUURCUCFQJHYPL-SANMLTNESA-N 0 0 572.678 4.779 50 0 KJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000103097970 555275134 /nfs/dbraw/zinc/27/51/34/555275134.db2.gz BUYZZPCNLUYOMK-UHFFFAOYSA-N 0 0 541.069 4.803 50 0 KJAARN CC(C)(C)c1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2CC(=O)NC1CC1 ZINC000103097988 555275132 /nfs/dbraw/zinc/27/51/32/555275132.db2.gz PIMYBVGGOUMDMR-RUZDIDTESA-N 0 0 553.084 5.000 50 0 KJAARN CC(C)(C)c1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(=O)N2CC(=O)NC1CC1 ZINC000103097991 555275294 /nfs/dbraw/zinc/27/52/94/555275294.db2.gz PIMYBVGGOUMDMR-VWLOTQADSA-N 0 0 553.084 5.000 50 0 KJAARN Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c(C)n1C[C@@H]1CCCO1 ZINC000103097995 555275277 /nfs/dbraw/zinc/27/52/77/555275277.db2.gz IJSZQQGGDNVSHZ-NRFANRHFSA-N 0 0 545.057 4.802 50 0 KJAARN Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c(C)n1C[C@H]1CCCO1 ZINC000103097998 555275291 /nfs/dbraw/zinc/27/52/91/555275291.db2.gz IJSZQQGGDNVSHZ-OAQYLSRUSA-N 0 0 545.057 4.802 50 0 KJAARN CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Cl ZINC000103098013 555275264 /nfs/dbraw/zinc/27/52/64/555275264.db2.gz KOAYKRGOZZMLBX-UHFFFAOYSA-N 0 0 612.026 4.816 50 0 KJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000103098022 555275282 /nfs/dbraw/zinc/27/52/82/555275282.db2.gz YGRZTGSTWBDCPR-UHFFFAOYSA-N 0 0 593.079 4.710 50 0 KJAARN COc1cc(-c2nnc(COC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)o2)cc(OC)c1OC ZINC000103098091 555275233 /nfs/dbraw/zinc/27/52/33/555275233.db2.gz RYKCELTWHQRAQQ-UHFFFAOYSA-N 0 0 524.530 4.967 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccccc3C)[C@H](c3cccc(Cl)c3)SCC2=O)CC1 ZINC000103098150 555275344 /nfs/dbraw/zinc/27/53/44/555275344.db2.gz RPNDXOAHIAEIBE-NDEPHWFRSA-N 0 0 594.181 4.992 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccccc3C)[C@@H](c3cccc(Cl)c3)SCC2=O)CC1 ZINC000103098153 555275319 /nfs/dbraw/zinc/27/53/19/555275319.db2.gz RPNDXOAHIAEIBE-MUUNZHRXSA-N 0 0 594.181 4.992 50 0 KJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000103098160 555275334 /nfs/dbraw/zinc/27/53/34/555275334.db2.gz OSNYFIFFFHYRGF-UHFFFAOYSA-N 0 0 570.689 4.870 50 0 KJAARN CC(C)(C)c1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(F)c1)SCC(=O)N2CC(=O)N1CCOCC1 ZINC000103098164 555275248 /nfs/dbraw/zinc/27/52/48/555275248.db2.gz BQOGFCGPJMXXFL-RUZDIDTESA-N 0 0 557.091 4.990 50 0 KJAARN CC(C)(C)c1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(F)c1)SCC(=O)N2CC(=O)N1CCOCC1 ZINC000103098165 555275251 /nfs/dbraw/zinc/27/52/51/555275251.db2.gz BQOGFCGPJMXXFL-VWLOTQADSA-N 0 0 557.091 4.990 50 0 KJAARN O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000103098198 555275488 /nfs/dbraw/zinc/27/54/88/555275488.db2.gz GYACFVBZQIBFLG-UHFFFAOYSA-N 0 0 532.968 4.648 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 ZINC000103098223 555275481 /nfs/dbraw/zinc/27/54/81/555275481.db2.gz UQGBTUGGLNDVKJ-UHFFFAOYSA-N 0 0 562.641 4.557 50 0 KJAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)N3CCC(C)CC3)c3c2c(-c2ccccc2)nn3C)c1 ZINC000103098289 555275498 /nfs/dbraw/zinc/27/54/98/555275498.db2.gz ABNPFSIPHVNJLW-NDEPHWFRSA-N 0 0 534.682 4.532 50 0 KJAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)N3CCC(C)CC3)c3c2c(-c2ccccc2)nn3C)c1 ZINC000103098291 555275493 /nfs/dbraw/zinc/27/54/93/555275493.db2.gz ABNPFSIPHVNJLW-MUUNZHRXSA-N 0 0 534.682 4.532 50 0 KJAARN O=C(NCCc1ccccn1)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc3c(c2)OCO3)n1 ZINC000103098331 555275508 /nfs/dbraw/zinc/27/55/08/555275508.db2.gz VEXCCKZCVLQGJJ-UHFFFAOYSA-N 0 0 538.526 4.992 50 0 KJAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)c4ccccc4Cl)CC3)nn2)c(OC)c1 ZINC000103098573 555275945 /nfs/dbraw/zinc/27/59/45/555275945.db2.gz REUCZAASZAWRSR-UHFFFAOYSA-N 0 0 604.082 4.945 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)C(c1ccccc1)c1ccccc1)N(Cc1ccco1)Cc1ccccc1 ZINC000103098658 555275909 /nfs/dbraw/zinc/27/59/09/555275909.db2.gz GLHJHUSTGURQFU-UHFFFAOYSA-N 0 0 551.687 4.801 50 0 KJAARN O=C(CCCNC(=O)OCc1ccccc1)N1CCN(Cc2cccc(-c3noc(-c4cccs4)n3)c2)CC1 ZINC000103098830 555276221 /nfs/dbraw/zinc/27/62/21/555276221.db2.gz BAXBBPYPSNWBRP-UHFFFAOYSA-N 0 0 545.665 4.816 50 0 KJAARN CCCCOCCOCC(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000103098859 555276185 /nfs/dbraw/zinc/27/61/85/555276185.db2.gz KEWDQTLSFUUYBY-UHFFFAOYSA-N 0 0 546.590 4.900 50 0 KJAARN COc1ccc(CNC(=O)COC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc32)cc1 ZINC000103098967 555276240 /nfs/dbraw/zinc/27/62/40/555276240.db2.gz GYVTWNOHYJSJMV-UHFFFAOYSA-N 0 0 534.996 4.711 50 0 KJAARN COc1ccc2c(c1)c(CC(=O)OCCN1C(=O)c3ccccc3C1=O)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000103098983 555276200 /nfs/dbraw/zinc/27/62/00/555276200.db2.gz YLVHZTGVQNSGCW-UHFFFAOYSA-N 0 0 530.964 4.682 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2c(C)onc2-c2c(F)cccc2Cl)ccc1C ZINC000103099059 555276427 /nfs/dbraw/zinc/27/64/27/555276427.db2.gz SIGITEHPVCLKPA-UHFFFAOYSA-N 0 0 537.997 4.577 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c1 ZINC000103099062 555276359 /nfs/dbraw/zinc/27/63/59/555276359.db2.gz OOSHTSXFECAMTG-UHFFFAOYSA-N 0 0 558.415 4.922 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000103099147 555276678 /nfs/dbraw/zinc/27/66/78/555276678.db2.gz ZPYWZTSZFMDDBE-UHFFFAOYSA-N 0 0 611.676 4.880 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccc(C)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103099180 555276672 /nfs/dbraw/zinc/27/66/72/555276672.db2.gz ABPVDQQJYWTFBD-UHFFFAOYSA-N 0 0 577.747 4.738 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)Nc2ccccc2OC)CC1)S(=O)(=O)c1ccccc1 ZINC000103099193 555276657 /nfs/dbraw/zinc/27/66/57/555276657.db2.gz AAAOOSSGQXKDSK-UHFFFAOYSA-N 0 0 596.725 4.960 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)Nc2ccc(OC)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103099214 555276700 /nfs/dbraw/zinc/27/67/00/555276700.db2.gz LPUXMVNRSQDMDQ-UHFFFAOYSA-N 0 0 596.725 4.960 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)CC(C)(C)C)CC1)S(=O)(=O)c1ccccc1 ZINC000103099228 555276643 /nfs/dbraw/zinc/27/66/43/555276643.db2.gz RZHFNOZLQXVMTJ-UHFFFAOYSA-N 0 0 557.757 4.552 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103099237 555276663 /nfs/dbraw/zinc/27/66/63/555276663.db2.gz UCIBCWRIGIOHOV-UHFFFAOYSA-N 0 0 581.710 4.569 50 0 KJAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)Nc2c(C)cccc2C)CC1 ZINC000103099247 555276647 /nfs/dbraw/zinc/27/66/47/555276647.db2.gz HSEXXRBWQXMQOX-UHFFFAOYSA-N 0 0 593.190 4.670 50 0 KJAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccc(CC)cc2)CC1 ZINC000103099273 555276716 /nfs/dbraw/zinc/27/67/16/555276716.db2.gz YENSBESTNPDUFS-UHFFFAOYSA-N 0 0 593.190 4.616 50 0 KJAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000103099316 555276808 /nfs/dbraw/zinc/27/68/08/555276808.db2.gz FLFTXRCKOMLGBI-UHFFFAOYSA-N 0 0 593.190 4.670 50 0 KJAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)Nc2cccc(C)c2C)CC1 ZINC000103099330 555276815 /nfs/dbraw/zinc/27/68/15/555276815.db2.gz FDFUTVVGGIXLCS-UHFFFAOYSA-N 0 0 593.190 4.670 50 0 KJAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccccc2CC)CC1 ZINC000103099347 555276803 /nfs/dbraw/zinc/27/68/03/555276803.db2.gz NTMZKYPHLNMUSC-UHFFFAOYSA-N 0 0 593.190 4.616 50 0 KJAARN CCS(=O)(=O)c1ccc2oc(-c3cccc(OS(=O)(=O)c4ccccc4OC(F)(F)F)c3)nc2c1 ZINC000103099617 555277217 /nfs/dbraw/zinc/27/72/17/555277217.db2.gz ZFFVILRDKYEIAS-UHFFFAOYSA-N 0 0 527.498 4.955 50 0 KJAARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c3ccccc3n2)cc1 ZINC000103099671 555277494 /nfs/dbraw/zinc/27/74/94/555277494.db2.gz XXAVWIBRAFRDTP-UHFFFAOYSA-N 0 0 614.724 4.627 50 0 KJAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)c4ccc(Cl)cc4)CC3)nn2)cc1OC ZINC000103099758 555277455 /nfs/dbraw/zinc/27/74/55/555277455.db2.gz ASSVDANTNOWPMO-UHFFFAOYSA-N 0 0 600.119 4.848 50 0 KJAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccccc4)C(=O)c4ccccc4)CC3)nn2)cc1OC ZINC000103099786 555277511 /nfs/dbraw/zinc/27/75/11/555277511.db2.gz KEEOLZGBTMEDHV-UHFFFAOYSA-N 0 0 565.674 4.542 50 0 KJAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)c4ccccc4C)CC3)nn2)cc1OC ZINC000103099808 555277464 /nfs/dbraw/zinc/27/74/64/555277464.db2.gz PKYVWMVSOZDCDY-UHFFFAOYSA-N 0 0 579.701 4.503 50 0 KJAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000103099820 555277526 /nfs/dbraw/zinc/27/75/26/555277526.db2.gz PGALKSQEOKIBHD-UHFFFAOYSA-N 0 0 555.052 4.850 50 0 KJAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccccc4)C(=O)c4cccc(F)c4)CC3)nn2)cc1OC ZINC000103099832 555277491 /nfs/dbraw/zinc/27/74/91/555277491.db2.gz XFFBXEUPKQRKMA-UHFFFAOYSA-N 0 0 583.664 4.681 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(OC)c(OC)c4)nn3)CC2)Cc2ccccc2)c1 ZINC000103099850 555277452 /nfs/dbraw/zinc/27/74/52/555277452.db2.gz JCQDCQCXZXAMQJ-UHFFFAOYSA-N 0 0 595.700 4.551 50 0 KJAARN COC(=O)c1sccc1S(=O)(=O)N1CCN(C[C@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000103100441 555277946 /nfs/dbraw/zinc/27/79/46/555277946.db2.gz VQURBISWUBRSAG-QFIPXVFZSA-N 0 0 571.067 4.731 50 0 KJAARN COC(=O)c1sccc1S(=O)(=O)N1CCN(C[C@@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000103100444 555277996 /nfs/dbraw/zinc/27/79/96/555277996.db2.gz VQURBISWUBRSAG-JOCHJYFZSA-N 0 0 571.067 4.731 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2cccc(Cl)c2)c1 ZINC000103100463 555278000 /nfs/dbraw/zinc/27/80/00/555278000.db2.gz GWGDKAWSDRUXSF-RUZDIDTESA-N 0 0 537.028 4.891 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2cccc(Cl)c2)c1 ZINC000103100466 555277972 /nfs/dbraw/zinc/27/79/72/555277972.db2.gz GWGDKAWSDRUXSF-VWLOTQADSA-N 0 0 537.028 4.891 50 0 KJAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)c4ccccc4Cl)CC3)nn2)c1 ZINC000103100828 555278403 /nfs/dbraw/zinc/27/84/03/555278403.db2.gz CEVCOSOVUXXYJA-UHFFFAOYSA-N 0 0 600.075 4.526 50 0 KJAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)c4ccc(Cl)cc4)CC3)nn2)c1 ZINC000103100879 555278417 /nfs/dbraw/zinc/27/84/17/555278417.db2.gz RHFOMAZDFRFNMT-UHFFFAOYSA-N 0 0 600.075 4.526 50 0 KJAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000103101010 555278408 /nfs/dbraw/zinc/27/84/08/555278408.db2.gz DNCYGCNCLYAQME-UHFFFAOYSA-N 0 0 534.678 4.680 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000103101091 555278463 /nfs/dbraw/zinc/27/84/63/555278463.db2.gz NVUQVBOAYRLOPH-SFHVURJKSA-N 0 0 558.678 4.806 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000103101093 555278504 /nfs/dbraw/zinc/27/85/04/555278504.db2.gz NVUQVBOAYRLOPH-GOSISDBHSA-N 0 0 558.678 4.806 50 0 KJAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000103101287 555278688 /nfs/dbraw/zinc/27/86/88/555278688.db2.gz DDPIYUBAOCNCEE-UHFFFAOYSA-N 0 0 596.920 4.949 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@@H](c2cccc(C)c2)SCC1=O ZINC000103101289 555278634 /nfs/dbraw/zinc/27/86/34/555278634.db2.gz UYIIQUGSBHXTGU-HHHXNRCGSA-N 0 0 550.725 4.809 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(OC)cc2)[C@H](c2cccc(C)c2)SCC1=O ZINC000103101295 555278665 /nfs/dbraw/zinc/27/86/65/555278665.db2.gz UYIIQUGSBHXTGU-MHZLTWQESA-N 0 0 550.725 4.809 50 0 KJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(I)cc3C)cc2)c1 ZINC000103101307 555278696 /nfs/dbraw/zinc/27/86/96/555278696.db2.gz SOTGORBKCXEIFC-UHFFFAOYSA-N 0 0 578.428 4.813 50 0 KJAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)cc3)sc2c1 ZINC000103101382 555278888 /nfs/dbraw/zinc/27/88/88/555278888.db2.gz NENIMUREPWINAA-UHFFFAOYSA-N 0 0 535.647 4.852 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103101402 555278920 /nfs/dbraw/zinc/27/89/20/555278920.db2.gz FKPSWUXOLABTCP-GOSISDBHSA-N 0 0 556.662 4.560 50 0 KJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103101404 555278865 /nfs/dbraw/zinc/27/88/65/555278865.db2.gz FKPSWUXOLABTCP-SFHVURJKSA-N 0 0 556.662 4.560 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000103101518 555278835 /nfs/dbraw/zinc/27/88/35/555278835.db2.gz XPEWCPODIDHNRE-YTTGMZPUSA-N 0 0 609.704 4.977 50 0 KJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000103101522 555278934 /nfs/dbraw/zinc/27/89/34/555278934.db2.gz XPEWCPODIDHNRE-JGCGQSQUSA-N 0 0 609.704 4.977 50 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CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCCc4ccc(OC)c(OC)c4)n3c2=O)cc1C ZINC000103103496 555281071 /nfs/dbraw/zinc/28/10/71/555281071.db2.gz BOOUMZFUWOUKQJ-UHFFFAOYSA-N 0 0 571.703 4.707 50 0 KJAARN CCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@@H](C)c1ccccc1)c1ccccc1 ZINC000103103588 555281136 /nfs/dbraw/zinc/28/11/36/555281136.db2.gz ZEXQUIQAMQDVOA-QHCPKHFHSA-N 0 0 591.759 4.721 50 0 KJAARN CCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1[C@H](C)c1ccccc1)c1ccccc1 ZINC000103103593 555281077 /nfs/dbraw/zinc/28/10/77/555281077.db2.gz ZEXQUIQAMQDVOA-HSZRJFAPSA-N 0 0 591.759 4.721 50 0 KJAARN C[C@@H](c1ccccc1)n1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103103604 555281085 /nfs/dbraw/zinc/28/10/85/555281085.db2.gz NJYBEASUNJBUMS-QFIPXVFZSA-N 0 0 583.780 4.506 50 0 KJAARN C[C@H](c1ccccc1)n1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103103607 555281115 /nfs/dbraw/zinc/28/11/15/555281115.db2.gz NJYBEASUNJBUMS-JOCHJYFZSA-N 0 0 583.780 4.506 50 0 KJAARN 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CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccnc4Cl)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000103133757 555303298 /nfs/dbraw/zinc/30/32/98/555303298.db2.gz XBQJUAMUTJEVBC-UHFFFAOYSA-N 0 0 546.027 4.735 50 0 KJAARN NC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000103133821 555303591 /nfs/dbraw/zinc/30/35/91/555303591.db2.gz GHMXFSOGTPTUJK-UHFFFAOYSA-N 0 0 611.027 4.694 50 0 KJAARN O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000103133964 555303564 /nfs/dbraw/zinc/30/35/64/555303564.db2.gz QNQBFVNIBLNHKT-UHFFFAOYSA-N 0 0 541.025 4.541 50 0 KJAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000103134233 555303721 /nfs/dbraw/zinc/30/37/21/555303721.db2.gz IZLVCYQJJINBEF-SXSPYAJSSA-N 0 0 552.524 4.560 50 0 KJAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000103134235 555303797 /nfs/dbraw/zinc/30/37/97/555303797.db2.gz IZLVCYQJJINBEF-CDNPAEQRSA-N 0 0 552.524 4.560 50 0 KJAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)c2)cc1 ZINC000103134741 555304156 /nfs/dbraw/zinc/30/41/56/555304156.db2.gz UKBTZGQPZJZFAG-UHFFFAOYSA-N 0 0 564.491 4.798 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccccc2C)CC1)S(=O)(=O)c1ccccc1 ZINC000103134786 555304387 /nfs/dbraw/zinc/30/43/87/555304387.db2.gz UAQVQBLSTPYVDZ-UHFFFAOYSA-N 0 0 577.747 4.738 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccccc2F)CC1)S(=O)(=O)c1ccccc1 ZINC000103134817 555304414 /nfs/dbraw/zinc/30/44/14/555304414.db2.gz BBHUNCDPYRPPQB-UHFFFAOYSA-N 0 0 581.710 4.569 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2cccc(F)c2)CC1)S(=O)(=O)c1ccccc1 ZINC000103134850 555304384 /nfs/dbraw/zinc/30/43/84/555304384.db2.gz DASCHDWAWDVEDY-UHFFFAOYSA-N 0 0 581.710 4.569 50 0 KJAARN CCn1c(CSc2nnc(-c3ccc(Cl)cc3)n2CCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000103134886 555304426 /nfs/dbraw/zinc/30/44/26/555304426.db2.gz RURQMKFBWTWPDR-UHFFFAOYSA-N 0 0 549.122 4.547 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)Nc2ccccc2C)CC1)S(=O)(=O)c1ccccc1 ZINC000103135243 555304789 /nfs/dbraw/zinc/30/47/89/555304789.db2.gz SNQCUIKEMYKKKV-UHFFFAOYSA-N 0 0 592.762 4.666 50 0 KJAARN COc1ccc2c(COC(=O)c3cccnc3SCC(=O)Nc3ccccc3OC(F)F)cc(=O)oc2c1 ZINC000103135300 555304796 /nfs/dbraw/zinc/30/47/96/555304796.db2.gz JRCMECVTZRMJEP-UHFFFAOYSA-N 0 0 542.516 4.886 50 0 KJAARN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000103135365 555304921 /nfs/dbraw/zinc/30/49/21/555304921.db2.gz GMNQVUZZGWWCFS-UHFFFAOYSA-N 0 0 529.833 4.782 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)NCc2ccccc2)CC1)CC1CCCCC1 ZINC000103135443 555304973 /nfs/dbraw/zinc/30/49/73/555304973.db2.gz PFRNZVFOSZAIGP-UHFFFAOYSA-N 0 0 598.810 4.630 50 0 KJAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103135448 555304969 /nfs/dbraw/zinc/30/49/69/555304969.db2.gz LCXSPHWHHACYGQ-UHFFFAOYSA-N 0 0 581.710 4.569 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)Nc2ccccc2)CC1)CC1CCCCC1 ZINC000103135461 555304940 /nfs/dbraw/zinc/30/49/40/555304940.db2.gz NDVMQOGGYVOBQG-UHFFFAOYSA-N 0 0 584.783 4.952 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1)S(=O)(=O)c1ccccc1 ZINC000103135470 555305029 /nfs/dbraw/zinc/30/50/29/555305029.db2.gz GCSYEIRYVOGSRR-UHFFFAOYSA-N 0 0 598.165 4.619 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccccc2OC)CC1)CC1CCCCC1 ZINC000103135491 555304991 /nfs/dbraw/zinc/30/49/91/555304991.db2.gz YGPJCJPNMGAOFK-UHFFFAOYSA-N 0 0 599.794 4.569 50 0 KJAARN COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NCCCN2CCCC2=O)cc1 ZINC000103135533 555305008 /nfs/dbraw/zinc/30/50/08/555305008.db2.gz ICVQJKCLBIQUEF-HFBCPUAESA-N 0 0 541.648 4.652 50 0 KJAARN COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NCCCN2CCCC2=O)cc1 ZINC000103135536 555304948 /nfs/dbraw/zinc/30/49/48/555304948.db2.gz ICVQJKCLBIQUEF-GKYQZKGUSA-N 0 0 541.648 4.652 50 0 KJAARN 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CC(C)(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000103135871 555305677 /nfs/dbraw/zinc/30/56/77/555305677.db2.gz AKICLAFVDNLOSX-RUZDIDTESA-N 0 0 541.689 4.988 50 0 KJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1 ZINC000103135891 555305647 /nfs/dbraw/zinc/30/56/47/555305647.db2.gz WUHZBFYXJHRPRF-UHFFFAOYSA-N 0 0 616.140 4.846 50 0 KJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1 ZINC000103135913 555305681 /nfs/dbraw/zinc/30/56/81/555305681.db2.gz VYZFWBBKTHTWCD-UHFFFAOYSA-N 0 0 616.140 4.846 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1OC ZINC000103135981 555305920 /nfs/dbraw/zinc/30/59/20/555305920.db2.gz YKDFDWRJIRKRSB-VWLOTQADSA-N 0 0 564.614 4.710 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1OC ZINC000103135984 555305848 /nfs/dbraw/zinc/30/58/48/555305848.db2.gz YKDFDWRJIRKRSB-RUZDIDTESA-N 0 0 564.614 4.710 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 ZINC000103136007 555305851 /nfs/dbraw/zinc/30/58/51/555305851.db2.gz BQBSYDKMFRYXNF-GASCZTMLSA-N 0 0 532.968 4.821 50 0 KJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 ZINC000103136010 555305883 /nfs/dbraw/zinc/30/58/83/555305883.db2.gz BQBSYDKMFRYXNF-GJZGRUSLSA-N 0 0 532.968 4.821 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 ZINC000103136012 555305861 /nfs/dbraw/zinc/30/58/61/555305861.db2.gz BQBSYDKMFRYXNF-HUUCEWRRSA-N 0 0 532.968 4.821 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc(OC(F)F)cc3OC(F)F)cc2)C1 ZINC000103136060 555306087 /nfs/dbraw/zinc/30/60/87/555306087.db2.gz SWCNTQPHJAPWDJ-GASCZTMLSA-N 0 0 547.523 4.596 50 0 KJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc(OC(F)F)cc3OC(F)F)cc2)C1 ZINC000103136062 555306100 /nfs/dbraw/zinc/30/61/00/555306100.db2.gz SWCNTQPHJAPWDJ-GJZGRUSLSA-N 0 0 547.523 4.596 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc(OC(F)F)cc3OC(F)F)cc2)C1 ZINC000103136064 555306076 /nfs/dbraw/zinc/30/60/76/555306076.db2.gz SWCNTQPHJAPWDJ-HUUCEWRRSA-N 0 0 547.523 4.596 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)CCc2ccccc2)CC1)CC1CCCCC1 ZINC000103136094 555306095 /nfs/dbraw/zinc/30/60/95/555306095.db2.gz HJTNZMRBAPPVEK-UHFFFAOYSA-N 0 0 597.822 4.880 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)C2CCCCC2)CC1)CC1CCCCC1 ZINC000103136103 555306102 /nfs/dbraw/zinc/30/61/02/555306102.db2.gz ZLLANEHHSNJTTR-UHFFFAOYSA-N 0 0 575.816 4.827 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccccc2F)CC1)CC1CCCCC1 ZINC000103136106 555306107 /nfs/dbraw/zinc/30/61/07/555306107.db2.gz LXLRPDZJMTZITI-UHFFFAOYSA-N 0 0 587.758 4.700 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2cccs2)CC1)CC1CCCCC1 ZINC000103136134 555306110 /nfs/dbraw/zinc/30/61/10/555306110.db2.gz DYXZONVWKLXQMY-UHFFFAOYSA-N 0 0 575.797 4.622 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)CC(C)(C)C)CC1)CC1CCCCC1 ZINC000103136144 555306112 /nfs/dbraw/zinc/30/61/12/555306112.db2.gz QPQMDCGEGPYEQJ-UHFFFAOYSA-N 0 0 563.805 4.683 50 0 KJAARN COc1ccccc1NC(=O)Cc1noc(COC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n1 ZINC000103136154 555306128 /nfs/dbraw/zinc/30/61/28/555306128.db2.gz SWSNZOZUCWFYFX-UHFFFAOYSA-N 0 0 537.956 4.857 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)Cc2cccs2)CC1)CC1CCCCC1 ZINC000103136155 555306353 /nfs/dbraw/zinc/30/63/53/555306353.db2.gz OWRCRUHVMTVHGT-UHFFFAOYSA-N 0 0 589.824 4.551 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)NC2CCCCC2)CC1)CC1CCCCC1 ZINC000103136158 555306324 /nfs/dbraw/zinc/30/63/24/555306324.db2.gz HVXPISVZMPXDJV-UHFFFAOYSA-N 0 0 590.831 4.763 50 0 KJAARN Cc1ccc(NC(=O)COC(=O)/C(=C\c2ccc(Cl)cc2)c2ccc(F)cc2)cc1S(=O)(=O)N(C)C ZINC000103136240 1066516598 /nfs/dbraw/zinc/51/65/98/1066516598.db2.gz LZOWPOPWRJPPLN-UCQKPKSFSA-N 0 0 531.005 4.760 50 0 KJAARN Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c(C)n1C[C@@H]1CCCO1 ZINC000103136298 555306315 /nfs/dbraw/zinc/30/63/15/555306315.db2.gz FATYSPXAZRBPMK-KRWDZBQOSA-N 0 0 545.485 4.565 50 0 KJAARN Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c(C)n1C[C@H]1CCCO1 ZINC000103136300 555306302 /nfs/dbraw/zinc/30/63/02/555306302.db2.gz FATYSPXAZRBPMK-QGZVFWFLSA-N 0 0 545.485 4.565 50 0 KJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)n2C(C)C)cc1 ZINC000103136468 555306509 /nfs/dbraw/zinc/30/65/09/555306509.db2.gz YHSNHCKIGVKFGW-UHFFFAOYSA-N 0 0 543.715 4.830 50 0 KJAARN COc1cccc(Cc2nsc(Oc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3OC)n2)c1 ZINC000103136543 555306819 /nfs/dbraw/zinc/30/68/19/555306819.db2.gz YVBVRVQYFOTQHI-UHFFFAOYSA-N 0 0 535.622 4.928 50 0 biogenic KJAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 ZINC000103136559 555306824 /nfs/dbraw/zinc/30/68/24/555306824.db2.gz NPKILUUYKVTCJD-UHFFFAOYSA-N 0 0 542.086 4.628 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccccc4Cl)n3C3CCCC3)CC2)cc1 ZINC000103136608 555306786 /nfs/dbraw/zinc/30/67/86/555306786.db2.gz CCVRWPBRVJTVSW-UHFFFAOYSA-N 0 0 560.145 4.647 50 0 KJAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)C2=O)cc1 ZINC000103136652 555306777 /nfs/dbraw/zinc/30/67/77/555306777.db2.gz OVJNOHLXLLFNDV-UHFFFAOYSA-N 0 0 547.917 4.810 50 0 KJAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000103136656 555306765 /nfs/dbraw/zinc/30/67/65/555306765.db2.gz VASAHXPQXNNYRG-UHFFFAOYSA-N 0 0 537.572 4.930 50 0 KJAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000103136675 555306769 /nfs/dbraw/zinc/30/67/69/555306769.db2.gz JVDVYHGKCVHIKA-UHFFFAOYSA-N 0 0 547.917 4.810 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000103136843 555306965 /nfs/dbraw/zinc/30/69/65/555306965.db2.gz QGIQVKZXOOHASE-UHFFFAOYSA-N 0 0 540.595 4.906 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000103136857 555306987 /nfs/dbraw/zinc/30/69/87/555306987.db2.gz KBUOQFXFNFVJJE-UHFFFAOYSA-N 0 0 590.652 4.658 50 0 KJAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(N4CCOCC4)cc3)c2)cc1 ZINC000103136895 555307023 /nfs/dbraw/zinc/30/70/23/555307023.db2.gz JYXNEQYAEWQYQJ-UHFFFAOYSA-N 0 0 615.708 4.723 50 0 KJAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCCC[C@H]3C)c2)cc1 ZINC000103136902 555307015 /nfs/dbraw/zinc/30/70/15/555307015.db2.gz BKIWMTITTXNEIX-JOCHJYFZSA-N 0 0 536.650 4.649 50 0 KJAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCCC[C@@H]3C)c2)cc1 ZINC000103136904 555307009 /nfs/dbraw/zinc/30/70/09/555307009.db2.gz BKIWMTITTXNEIX-QFIPXVFZSA-N 0 0 536.650 4.649 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3OC)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 ZINC000103136986 555307246 /nfs/dbraw/zinc/30/72/46/555307246.db2.gz NIRXUEQSKOFXFC-JTHBVZDNSA-N 0 0 565.692 4.767 50 0 KJAARN CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3OC)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 ZINC000103136988 555307252 /nfs/dbraw/zinc/30/72/52/555307252.db2.gz NIRXUEQSKOFXFC-GMAHTHKFSA-N 0 0 565.692 4.767 50 0 KJAARN CCn1c2ccccc2c(C(=O)COC(=O)[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)c1-c1ccccc1 ZINC000103136993 555307260 /nfs/dbraw/zinc/30/72/60/555307260.db2.gz SBALBOBUMFTSTO-WJOKGBTCSA-N 0 0 631.751 4.530 50 0 KJAARN CCn1c2ccccc2c(C(=O)COC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)c1-c1ccccc1 ZINC000103136995 555307183 /nfs/dbraw/zinc/30/71/83/555307183.db2.gz SBALBOBUMFTSTO-HKBQPEDESA-N 0 0 631.751 4.530 50 0 KJAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2nc3nccc(-c4ccc(Cl)c(Cl)c4)n3n2)CC1 ZINC000103137152 555307164 /nfs/dbraw/zinc/30/71/64/555307164.db2.gz WKGPDRJRDKTMRY-UHFFFAOYSA-N 0 0 543.283 4.756 50 0 KJAARN O=C(COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccc(OC(F)F)cc1OC(F)F ZINC000103137163 555307224 /nfs/dbraw/zinc/30/72/24/555307224.db2.gz PNBATNFFVCVTHN-UHFFFAOYSA-N 0 0 530.430 4.687 50 0 KJAARN COc1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000103137347 555307412 /nfs/dbraw/zinc/30/74/12/555307412.db2.gz FHGADTFBLROGQY-UHFFFAOYSA-N 0 0 545.613 4.789 50 0 KJAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000103137541 555307610 /nfs/dbraw/zinc/30/76/10/555307610.db2.gz OCLKCUVXXXPWSJ-UHFFFAOYSA-N 0 0 543.283 4.756 50 0 KJAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000103137558 555307634 /nfs/dbraw/zinc/30/76/34/555307634.db2.gz WWHOKHAZTVGXFB-UHFFFAOYSA-N 0 0 537.451 4.979 50 0 KJAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cc(C)n(CC(F)(F)F)c4C)cc3C2=O)cc1 ZINC000103137680 555307824 /nfs/dbraw/zinc/30/78/24/555307824.db2.gz ZNCBJBBIHRGNIH-UHFFFAOYSA-N 0 0 528.483 4.906 50 0 KJAARN O=C(c1ccccc1C(F)(F)F)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000103137688 555307856 /nfs/dbraw/zinc/30/78/56/555307856.db2.gz YGLIDZZZGYKNTE-UHFFFAOYSA-N 0 0 520.437 4.791 50 0 KJAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103138076 555308229 /nfs/dbraw/zinc/30/82/29/555308229.db2.gz GDBBPDOIAWZFEV-UHFFFAOYSA-N 0 0 604.194 4.623 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)CSc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103138142 555308277 /nfs/dbraw/zinc/30/82/77/555308277.db2.gz DQFVBBZDDVHYEB-UHFFFAOYSA-N 0 0 609.814 4.908 50 0 KJAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000103138255 1066516615 /nfs/dbraw/zinc/51/66/15/1066516615.db2.gz NXBCVQOWAGZJQY-SEYXRHQNSA-N 0 0 592.699 4.761 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000103138285 555308249 /nfs/dbraw/zinc/30/82/49/555308249.db2.gz QDDXMWVPQPPZPQ-NDEPHWFRSA-N 0 0 550.615 4.666 50 0 KJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000103138287 555308284 /nfs/dbraw/zinc/30/82/84/555308284.db2.gz QDDXMWVPQPPZPQ-MUUNZHRXSA-N 0 0 550.615 4.666 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)COCc2ccccc2)CC1 ZINC000103138479 555308472 /nfs/dbraw/zinc/30/84/72/555308472.db2.gz IKXDNMSBLDLRPX-UHFFFAOYSA-N 0 0 585.811 4.619 50 0 KJAARN CCc1ccc(NC(=O)N2CCC(N(Cc3ccc(C)cc3)C(=O)CN(CCOC)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000103138481 555308478 /nfs/dbraw/zinc/30/84/78/555308478.db2.gz LYMSLWNLKFYCKP-UHFFFAOYSA-N 0 0 606.789 4.920 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1)S(=O)(=O)c1ccccc1 ZINC000103138493 555308507 /nfs/dbraw/zinc/30/85/07/555308507.db2.gz PCPXVMGUQJVCBG-UHFFFAOYSA-N 0 0 614.715 4.636 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)Nc2cccc(C)c2C)CC1)S(=O)(=O)c1ccccc1 ZINC000103138501 555308446 /nfs/dbraw/zinc/30/84/46/555308446.db2.gz ULAWWSZHXNHGBP-UHFFFAOYSA-N 0 0 606.789 4.974 50 0 KJAARN CCc1ccccc1NC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CCOC)S(=O)(=O)c2ccccc2)CC1 ZINC000103138510 555308460 /nfs/dbraw/zinc/30/84/60/555308460.db2.gz VTHACDRILMECTK-UHFFFAOYSA-N 0 0 606.789 4.920 50 0 KJAARN COc1ccc(CC(=O)N2CCC(N(Cc3ccc(F)cc3)C(=O)CN(C3CC3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000103138519 555308452 /nfs/dbraw/zinc/30/84/52/555308452.db2.gz MEUNOHLSTBRSGS-UHFFFAOYSA-N 0 0 607.748 4.558 50 0 KJAARN Cc1cc(C)cc(N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2nc3ccccc3s2)c1 ZINC000103138544 555308457 /nfs/dbraw/zinc/30/84/57/555308457.db2.gz QFFIANODHHLXHS-UHFFFAOYSA-N 0 0 536.679 4.711 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)COCc3ccccc3)CC2)C2CC2)cc1 ZINC000103138554 555308495 /nfs/dbraw/zinc/30/84/95/555308495.db2.gz PFOVLDUGKJRKJU-UHFFFAOYSA-N 0 0 607.748 4.524 50 0 KJAARN CCOC(=O)Nc1ccc2c(COC(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)cc(=O)oc2c1 ZINC000103138604 555308482 /nfs/dbraw/zinc/30/84/82/555308482.db2.gz VCEIJXJCNXXXQP-UHFFFAOYSA-N 0 0 528.517 4.634 50 0 KJAARN COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)c3cccc(Br)c3)CC2)cs1 ZINC000103138910 555308897 /nfs/dbraw/zinc/30/88/97/555308897.db2.gz KYXSGECPWAXDFN-UHFFFAOYSA-N 0 0 544.471 4.964 50 0 KJAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)COc4ccccc4)CC3)c12 ZINC000103138923 555308885 /nfs/dbraw/zinc/30/88/85/555308885.db2.gz VGCOSFDQAHZIRP-UHFFFAOYSA-N 0 0 536.611 4.581 50 0 KJAARN Cc1cc(Br)c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(Br)c1 ZINC000103138943 555308877 /nfs/dbraw/zinc/30/88/77/555308877.db2.gz ZVXGWLVBJKEMNA-UHFFFAOYSA-N 0 0 557.242 4.954 50 0 KJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc2)cc1 ZINC000103139004 555308907 /nfs/dbraw/zinc/30/89/07/555308907.db2.gz DCCKWWUPPHRFCC-UHFFFAOYSA-N 0 0 548.599 4.772 50 0 KJAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000103139044 555308900 /nfs/dbraw/zinc/30/89/00/555308900.db2.gz TXMPRFSRGALJFL-UHFFFAOYSA-N 0 0 617.675 4.764 50 0 KJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000103139219 555309146 /nfs/dbraw/zinc/30/91/46/555309146.db2.gz UZJMXUORZUORJK-UHFFFAOYSA-N 0 0 551.694 4.800 50 0 KJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000103139229 1066516775 /nfs/dbraw/zinc/51/67/75/1066516775.db2.gz MFDRTIYJZIQJCX-PXLXIMEGSA-N 0 0 563.636 4.670 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000103139240 555309171 /nfs/dbraw/zinc/30/91/71/555309171.db2.gz NZUMIXALLIXHRP-UHFFFAOYSA-N 0 0 551.694 4.800 50 0 KJAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000103139273 555309161 /nfs/dbraw/zinc/30/91/61/555309161.db2.gz OQJUCNIQIJXDFZ-LJQANCHMSA-N 0 0 530.679 4.972 50 0 KJAARN Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000103139276 555309107 /nfs/dbraw/zinc/30/91/07/555309107.db2.gz OQJUCNIQIJXDFZ-IBGZPJMESA-N 0 0 530.679 4.972 50 0 KJAARN COc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000103139285 555309320 /nfs/dbraw/zinc/30/93/20/555309320.db2.gz CFOAUFNPOFVXST-UHFFFAOYSA-N 0 0 558.656 4.579 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000103139567 555309323 /nfs/dbraw/zinc/30/93/23/555309323.db2.gz XEDITLLEICTGBC-AREMUKBSSA-N 0 0 543.548 4.599 50 0 KJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000103139569 555309315 /nfs/dbraw/zinc/30/93/15/555309315.db2.gz XEDITLLEICTGBC-SANMLTNESA-N 0 0 543.548 4.599 50 0 KJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1OC ZINC000103139572 555309360 /nfs/dbraw/zinc/30/93/60/555309360.db2.gz XYOZEZZJHCMPHJ-MMTVBGGISA-N 0 0 584.601 4.512 50 0 KJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1OC ZINC000103139574 555309554 /nfs/dbraw/zinc/30/95/54/555309554.db2.gz XYOZEZZJHCMPHJ-WTYVLRPYSA-N 0 0 584.601 4.512 50 0 KJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1OC ZINC000103139576 555309539 /nfs/dbraw/zinc/30/95/39/555309539.db2.gz XYOZEZZJHCMPHJ-NGOKVRLYSA-N 0 0 584.601 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AJRJCUYITDOGDD-SANMLTNESA-N 0 0 564.614 4.710 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC)C(=O)Nc1ccccc1OC ZINC000103153180 555318779 /nfs/dbraw/zinc/31/87/79/555318779.db2.gz AJRJCUYITDOGDD-AREMUKBSSA-N 0 0 564.614 4.710 50 0 KJAARN COc1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(N(C)C)cc3)s2)cc(OC)c1 ZINC000103153643 555319042 /nfs/dbraw/zinc/31/90/42/555319042.db2.gz SMQRZTTWUZXPGH-XMMPIXPASA-N 0 0 546.653 4.660 50 0 KJAARN COc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(N(C)C)cc3)s2)cc(OC)c1 ZINC000103153647 555319070 /nfs/dbraw/zinc/31/90/70/555319070.db2.gz SMQRZTTWUZXPGH-DEOSSOPVSA-N 0 0 546.653 4.660 50 0 KJAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000103155728 555319399 /nfs/dbraw/zinc/31/93/99/555319399.db2.gz FSJICMIOOCNTES-HNNXBMFYSA-N 0 0 517.847 4.957 50 0 KJAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000103155730 555319488 /nfs/dbraw/zinc/31/94/88/555319488.db2.gz FSJICMIOOCNTES-OAHLLOKOSA-N 0 0 517.847 4.957 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103155928 555319506 /nfs/dbraw/zinc/31/95/06/555319506.db2.gz VBCQUMJKFAAVJV-RUZDIDTESA-N 0 0 563.141 4.942 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103155930 555319710 /nfs/dbraw/zinc/31/97/10/555319710.db2.gz VBCQUMJKFAAVJV-VWLOTQADSA-N 0 0 563.141 4.942 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000103156067 555319680 /nfs/dbraw/zinc/31/96/80/555319680.db2.gz AFLJFIOJOCQQGZ-AREMUKBSSA-N 0 0 542.723 4.597 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000103156069 555319667 /nfs/dbraw/zinc/31/96/67/555319667.db2.gz AFLJFIOJOCQQGZ-SANMLTNESA-N 0 0 542.723 4.597 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103156235 555319697 /nfs/dbraw/zinc/31/96/97/555319697.db2.gz BMKZOYJPIFVRDW-XMMPIXPASA-N 0 0 549.114 4.552 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103156239 555319658 /nfs/dbraw/zinc/31/96/58/555319658.db2.gz BMKZOYJPIFVRDW-DEOSSOPVSA-N 0 0 549.114 4.552 50 0 KJAARN Cc1ccc(Cc2nc3onc(-c4cccnc4)c3c(N3CCCN(C(=O)COCc4ccccc4)CC3)n2)cc1 ZINC000103156783 555319857 /nfs/dbraw/zinc/31/98/57/555319857.db2.gz NVQWQWLHSYUILY-UHFFFAOYSA-N 0 0 548.647 4.835 50 0 KJAARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCOCC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000103157049 555319879 /nfs/dbraw/zinc/31/98/79/555319879.db2.gz ZEHFLQVWCVKNDO-UHFFFAOYSA-N 0 0 587.783 4.673 50 0 KJAARN CNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(F)c2F)C1 ZINC000103157714 555320122 /nfs/dbraw/zinc/32/01/22/555320122.db2.gz JNMULVRXWSGSMQ-FOTFPPMPSA-N 0 0 529.502 4.884 50 0 KJAARN CNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(F)c2F)C1 ZINC000103157717 555320088 /nfs/dbraw/zinc/32/00/88/555320088.db2.gz JNMULVRXWSGSMQ-ICQAOKEUSA-N 0 0 529.502 4.884 50 0 KJAARN CCCCS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000103157944 555320086 /nfs/dbraw/zinc/32/00/86/555320086.db2.gz SUCWSLCOOAMOLA-QHCPKHFHSA-N 0 0 586.780 4.603 50 0 KJAARN CCCCS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000103157947 555320106 /nfs/dbraw/zinc/32/01/06/555320106.db2.gz SUCWSLCOOAMOLA-HSZRJFAPSA-N 0 0 586.780 4.603 50 0 KJAARN Cc1ccccc1OCC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NCc3ccc(F)cc3)o1)C(=O)CO2 ZINC000103158473 555320131 /nfs/dbraw/zinc/32/01/31/555320131.db2.gz HWQHINGPEVZYCV-UHFFFAOYSA-N 0 0 528.536 4.844 50 0 KJAARN O=C(COc1ccccc1F)c1ccc2c(c1)N(Cc1ccc(C(=O)NCCc3ccccc3)o1)C(=O)CO2 ZINC000103158501 555320081 /nfs/dbraw/zinc/32/00/81/555320081.db2.gz BFRQBESDPPRBAR-UHFFFAOYSA-N 0 0 528.536 4.579 50 0 KJAARN COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc(OC)c1OC ZINC000103159296 555320324 /nfs/dbraw/zinc/32/03/24/555320324.db2.gz MXHTZVUILOAZHO-IBGZPJMESA-N 0 0 539.456 4.659 50 0 KJAARN COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc(OC)c1OC ZINC000103159299 555320313 /nfs/dbraw/zinc/32/03/13/555320313.db2.gz MXHTZVUILOAZHO-LJQANCHMSA-N 0 0 539.456 4.659 50 0 KJAARN COc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2)cc1 ZINC000103159690 555320294 /nfs/dbraw/zinc/32/02/94/555320294.db2.gz ONYNGKVRBYZNDJ-SANMLTNESA-N 0 0 542.723 4.999 50 0 KJAARN COc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2)cc1 ZINC000103159694 555320356 /nfs/dbraw/zinc/32/03/56/555320356.db2.gz ONYNGKVRBYZNDJ-AREMUKBSSA-N 0 0 542.723 4.999 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000103159783 555320545 /nfs/dbraw/zinc/32/05/45/555320545.db2.gz ILMSYHNHFZHTGM-MRXNPFEDSA-N 0 0 596.986 4.587 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000103159784 555320572 /nfs/dbraw/zinc/32/05/72/555320572.db2.gz ILMSYHNHFZHTGM-INIZCTEOSA-N 0 0 596.986 4.587 50 0 KJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000103161024 555320963 /nfs/dbraw/zinc/32/09/63/555320963.db2.gz SYRUPNQGPSXHPO-UHFFFAOYSA-N 0 0 535.563 4.722 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000103161097 555320938 /nfs/dbraw/zinc/32/09/38/555320938.db2.gz CLPUZLYPUSNSEL-RPLLCQBOSA-N 0 0 554.734 4.740 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000103161099 555320978 /nfs/dbraw/zinc/32/09/78/555320978.db2.gz CLPUZLYPUSNSEL-IGKIAQTJSA-N 0 0 554.734 4.740 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000103161144 555320988 /nfs/dbraw/zinc/32/09/88/555320988.db2.gz YATHRJNMDCRIRS-UKILVPOCSA-N 0 0 548.661 4.611 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000103161147 555321119 /nfs/dbraw/zinc/32/11/19/555321119.db2.gz YATHRJNMDCRIRS-ZCYQVOJMSA-N 0 0 548.661 4.611 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000103161152 555321115 /nfs/dbraw/zinc/32/11/15/555321115.db2.gz YATHRJNMDCRIRS-ILBGXUMGSA-N 0 0 548.661 4.611 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000103161156 555321103 /nfs/dbraw/zinc/32/11/03/555321103.db2.gz YATHRJNMDCRIRS-NOZRDPDXSA-N 0 0 548.661 4.611 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(C)cc2)C[C@@H]2CCCO2)c1 ZINC000103161180 555321124 /nfs/dbraw/zinc/32/11/24/555321124.db2.gz MWRSDPBDOJQUKE-AHKZPQOWSA-N 0 0 534.678 4.891 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C)cc2)C[C@@H]2CCCO2)c1 ZINC000103161183 555321175 /nfs/dbraw/zinc/32/11/75/555321175.db2.gz MWRSDPBDOJQUKE-BDYUSTAISA-N 0 0 534.678 4.891 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(C)cc2)C[C@H]2CCCO2)c1 ZINC000103161186 555321105 /nfs/dbraw/zinc/32/11/05/555321105.db2.gz MWRSDPBDOJQUKE-XNMGPUDCSA-N 0 0 534.678 4.891 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C)cc2)C[C@H]2CCCO2)c1 ZINC000103161188 555321162 /nfs/dbraw/zinc/32/11/62/555321162.db2.gz MWRSDPBDOJQUKE-VPUSJEBWSA-N 0 0 534.678 4.891 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000103161612 555321178 /nfs/dbraw/zinc/32/11/78/555321178.db2.gz VWHQCBHRDJOWKN-DEOSSOPVSA-N 0 0 549.114 4.552 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000103161617 555321335 /nfs/dbraw/zinc/32/13/35/555321335.db2.gz VWHQCBHRDJOWKN-XMMPIXPASA-N 0 0 549.114 4.552 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)C[C@@H]2CCCO2)c1 ZINC000103161636 555321307 /nfs/dbraw/zinc/32/13/07/555321307.db2.gz IPMHKLPXZZAJLX-DHLKQENFSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)C[C@H]2CCCO2)c1 ZINC000103161638 555321318 /nfs/dbraw/zinc/32/13/18/555321318.db2.gz IPMHKLPXZZAJLX-RDGATRHJSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)C[C@@H]2CCCO2)c1 ZINC000103161641 555321352 /nfs/dbraw/zinc/32/13/52/555321352.db2.gz IPMHKLPXZZAJLX-WIOPSUGQSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)C[C@H]2CCCO2)c1 ZINC000103161643 555321315 /nfs/dbraw/zinc/32/13/15/555321315.db2.gz IPMHKLPXZZAJLX-RCZVLFRGSA-N 0 0 538.641 4.722 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103161698 555321360 /nfs/dbraw/zinc/32/13/60/555321360.db2.gz SGARSPVINYZXAP-QHCPKHFHSA-N 0 0 567.104 4.773 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103161701 555321338 /nfs/dbraw/zinc/32/13/38/555321338.db2.gz SGARSPVINYZXAP-HSZRJFAPSA-N 0 0 567.104 4.773 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)CC2CC2)cc1 ZINC000103161774 555321328 /nfs/dbraw/zinc/32/13/28/555321328.db2.gz GQGPEZCVGWVWSK-DEOSSOPVSA-N 0 0 544.670 4.502 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)CC2CC2)cc1 ZINC000103161779 555321369 /nfs/dbraw/zinc/32/13/69/555321369.db2.gz GQGPEZCVGWVWSK-XMMPIXPASA-N 0 0 544.670 4.502 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)C[C@@H]2CCCO2)cc1 ZINC000103161812 555321478 /nfs/dbraw/zinc/32/14/78/555321478.db2.gz DXKCNIKXYVRNTR-DHLKQENFSA-N 0 0 538.641 4.722 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)C[C@H]2CCCO2)cc1 ZINC000103161815 555321519 /nfs/dbraw/zinc/32/15/19/555321519.db2.gz DXKCNIKXYVRNTR-RDGATRHJSA-N 0 0 538.641 4.722 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)C[C@@H]2CCCO2)cc1 ZINC000103161818 555321504 /nfs/dbraw/zinc/32/15/04/555321504.db2.gz DXKCNIKXYVRNTR-WIOPSUGQSA-N 0 0 538.641 4.722 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)C[C@H]2CCCO2)cc1 ZINC000103161821 555321545 /nfs/dbraw/zinc/32/15/45/555321545.db2.gz DXKCNIKXYVRNTR-RCZVLFRGSA-N 0 0 538.641 4.722 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)S(=O)(=O)c1ccc(OC)cc1 ZINC000103161873 555321488 /nfs/dbraw/zinc/32/14/88/555321488.db2.gz KAAMORJHDJROSJ-DVECYGJZSA-N 0 0 546.686 4.890 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)S(=O)(=O)c1ccc(OC)cc1 ZINC000103161875 555321509 /nfs/dbraw/zinc/32/15/09/555321509.db2.gz KAAMORJHDJROSJ-CYFREDJKSA-N 0 0 546.686 4.890 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000103162223 555321511 /nfs/dbraw/zinc/32/15/11/555321511.db2.gz ZPHVCZFZVYTFLO-VWLOTQADSA-N 0 0 563.141 4.942 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000103162227 555321529 /nfs/dbraw/zinc/32/15/29/555321529.db2.gz ZPHVCZFZVYTFLO-RUZDIDTESA-N 0 0 563.141 4.942 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1cccc(Br)c1 ZINC000103163421 555321912 /nfs/dbraw/zinc/32/19/12/555321912.db2.gz GDAHHUVWYNBNIT-QHCPKHFHSA-N 0 0 561.473 4.943 50 0 KJAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1cccc(Br)c1 ZINC000103163423 555321929 /nfs/dbraw/zinc/32/19/29/555321929.db2.gz GDAHHUVWYNBNIT-HSZRJFAPSA-N 0 0 561.473 4.943 50 0 KJAARN CCN1CCN(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000103163998 555322162 /nfs/dbraw/zinc/32/21/62/555322162.db2.gz OLBFWVBETNUSOK-QHCPKHFHSA-N 0 0 578.760 4.822 50 0 KJAARN CCN1CCN(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000103164001 555322151 /nfs/dbraw/zinc/32/21/51/555322151.db2.gz OLBFWVBETNUSOK-HSZRJFAPSA-N 0 0 578.760 4.822 50 0 KJAARN O=C(NCc1ccccc1)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000103164021 555322191 /nfs/dbraw/zinc/32/21/91/555322191.db2.gz QULQVAKGBQCHKU-UHFFFAOYSA-N 0 0 617.703 4.681 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000103165943 555322504 /nfs/dbraw/zinc/32/25/04/555322504.db2.gz YXYYWCCVFQIXOG-VWLOTQADSA-N 0 0 542.723 4.597 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000103165945 555322668 /nfs/dbraw/zinc/32/26/68/555322668.db2.gz YXYYWCCVFQIXOG-RUZDIDTESA-N 0 0 542.723 4.597 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)C2CCCCC2)CC1)S(=O)(=O)c1ccccc1 ZINC000103166400 555322930 /nfs/dbraw/zinc/32/29/30/555322930.db2.gz VHDLWRXZYYUTSJ-UHFFFAOYSA-N 0 0 569.768 4.696 50 0 KJAARN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000103166423 555322899 /nfs/dbraw/zinc/32/28/99/555322899.db2.gz LHALVXMUGSQZEK-HSZRJFAPSA-N 0 0 535.666 4.912 50 0 KJAARN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000103166425 555322901 /nfs/dbraw/zinc/32/29/01/555322901.db2.gz LHALVXMUGSQZEK-QHCPKHFHSA-N 0 0 535.666 4.912 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1 ZINC000103166533 555322940 /nfs/dbraw/zinc/32/29/40/555322940.db2.gz LJZQNIJSZBAGFR-NDEPHWFRSA-N 0 0 567.036 4.771 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(F)cc1 ZINC000103166536 555322909 /nfs/dbraw/zinc/32/29/09/555322909.db2.gz LJZQNIJSZBAGFR-MUUNZHRXSA-N 0 0 567.036 4.771 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3Cl)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000103166782 555323335 /nfs/dbraw/zinc/32/33/35/555323335.db2.gz FMNJEWRQIHURHP-PMERELPUSA-N 0 0 575.109 4.809 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3Cl)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000103166785 555323329 /nfs/dbraw/zinc/32/33/29/555323329.db2.gz FMNJEWRQIHURHP-SSEXGKCCSA-N 0 0 575.109 4.809 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccc(C(F)(F)F)cc3)[C@H](c3ccccc3OC)C2)cc1 ZINC000103166802 555323338 /nfs/dbraw/zinc/32/33/38/555323338.db2.gz WYHUWUZNRQPUJI-LJAQVGFWSA-N 0 0 624.660 4.875 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccc(C(F)(F)F)cc3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000103166805 555323387 /nfs/dbraw/zinc/32/33/87/555323387.db2.gz WYHUWUZNRQPUJI-GDLZYMKVSA-N 0 0 624.660 4.875 50 0 KJAARN COCCNC(=O)[C@@H]1[C@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1 ZINC000103167276 555323479 /nfs/dbraw/zinc/32/34/79/555323479.db2.gz JCNPHWBHWGYVDU-ZEQRLZLVSA-N 0 0 525.964 4.556 50 0 KJAARN COCCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1 ZINC000103167280 555323513 /nfs/dbraw/zinc/32/35/13/555323513.db2.gz JCNPHWBHWGYVDU-RPWUZVMVSA-N 0 0 525.964 4.556 50 0 KJAARN COCCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1 ZINC000103167283 555323525 /nfs/dbraw/zinc/32/35/25/555323525.db2.gz JCNPHWBHWGYVDU-BJKOFHAPSA-N 0 0 525.964 4.556 50 0 KJAARN COCCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1 ZINC000103167285 555323484 /nfs/dbraw/zinc/32/34/84/555323484.db2.gz JCNPHWBHWGYVDU-DNQXCXABSA-N 0 0 525.964 4.556 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)C[C@@H]2CCCO2)cc1 ZINC000103167672 555323782 /nfs/dbraw/zinc/32/37/82/555323782.db2.gz JUDITFRQUKYAKR-OFVILXPXSA-N 0 0 558.697 4.570 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)C[C@H]2CCCO2)cc1 ZINC000103167677 555323784 /nfs/dbraw/zinc/32/37/84/555323784.db2.gz JUDITFRQUKYAKR-BWKNWUBXSA-N 0 0 558.697 4.570 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000103167678 555323781 /nfs/dbraw/zinc/32/37/81/555323781.db2.gz APFAFTQULDRDFK-UHFFFAOYSA-N 0 0 591.840 4.573 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2F)CC(C)C)cc1 ZINC000103167687 555323785 /nfs/dbraw/zinc/32/37/85/555323785.db2.gz BQCGTUFIGJTVMT-DEOSSOPVSA-N 0 0 546.686 4.748 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)CC(C)C)cc1 ZINC000103167690 555323783 /nfs/dbraw/zinc/32/37/83/555323783.db2.gz BQCGTUFIGJTVMT-XMMPIXPASA-N 0 0 546.686 4.748 50 0 KJAARN COc1ccccc1C(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000103168136 555324039 /nfs/dbraw/zinc/32/40/39/555324039.db2.gz GKHITTXYDSVZOH-WIRXVTQYSA-N 0 0 543.620 4.613 50 0 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0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccccc5Cl)cc43)o2)C1 ZINC000103169093 555324227 /nfs/dbraw/zinc/32/42/27/555324227.db2.gz HQCPHAICSPSLHR-FQEVSTJZSA-N 0 0 581.021 4.536 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccc(Cl)cc5)cc43)o2)C1 ZINC000103169132 555324213 /nfs/dbraw/zinc/32/42/13/555324213.db2.gz INTFYPSCUGCLOY-HXUWFJFHSA-N 0 0 581.021 4.536 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccc(Cl)cc5)cc43)o2)C1 ZINC000103169134 555324209 /nfs/dbraw/zinc/32/42/09/555324209.db2.gz INTFYPSCUGCLOY-FQEVSTJZSA-N 0 0 581.021 4.536 50 0 KJAARN CN(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(F)cc4)cc32)o1 ZINC000103169137 555324211 /nfs/dbraw/zinc/32/42/11/555324211.db2.gz BRNMTCUHVDGKFO-UHFFFAOYSA-N 0 0 528.536 4.878 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)CC(C)C)cc1 ZINC000103169538 555324483 /nfs/dbraw/zinc/32/44/83/555324483.db2.gz WLFPRFYNFOJOTN-VWLOTQADSA-N 0 0 546.686 4.748 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)CC(C)C)cc1 ZINC000103169542 555324512 /nfs/dbraw/zinc/32/45/12/555324512.db2.gz WLFPRFYNFOJOTN-RUZDIDTESA-N 0 0 546.686 4.748 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2C)C[C@@H]2CCCO2)cc1 ZINC000103169613 555324519 /nfs/dbraw/zinc/32/45/19/555324519.db2.gz PTWWZHWBVJJVGM-OZXSUGGESA-N 0 0 554.734 4.740 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2C)C[C@H]2CCCO2)cc1 ZINC000103169617 555324472 /nfs/dbraw/zinc/32/44/72/555324472.db2.gz PTWWZHWBVJJVGM-BVAGGSTKSA-N 0 0 554.734 4.740 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000103170221 555324465 /nfs/dbraw/zinc/32/44/65/555324465.db2.gz DOKBYUGVUMQDED-XMMPIXPASA-N 0 0 547.098 4.768 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000103170224 555324521 /nfs/dbraw/zinc/32/45/21/555324521.db2.gz DOKBYUGVUMQDED-DEOSSOPVSA-N 0 0 547.098 4.768 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000103170265 555324503 /nfs/dbraw/zinc/32/45/03/555324503.db2.gz ZBMWOUFIXKLINW-SANMLTNESA-N 0 0 542.723 4.917 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000103170271 555324575 /nfs/dbraw/zinc/32/45/75/555324575.db2.gz ZBMWOUFIXKLINW-AREMUKBSSA-N 0 0 542.723 4.917 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)c1 ZINC000103170320 555324557 /nfs/dbraw/zinc/32/45/57/555324557.db2.gz RHUOZINWQLXNMO-DEOSSOPVSA-N 0 0 536.650 4.789 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)c1 ZINC000103170324 555324554 /nfs/dbraw/zinc/32/45/54/555324554.db2.gz RHUOZINWQLXNMO-XMMPIXPASA-N 0 0 536.650 4.789 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccccc2)CC1)CC1CCCCC1 ZINC000103170351 555324551 /nfs/dbraw/zinc/32/45/51/555324551.db2.gz ZOLNVURZTPJALJ-UHFFFAOYSA-N 0 0 569.768 4.561 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)CCc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103170364 555324621 /nfs/dbraw/zinc/32/46/21/555324621.db2.gz DSEAEFAJCKQIJB-UHFFFAOYSA-N 0 0 591.774 4.749 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000103170395 555324608 /nfs/dbraw/zinc/32/46/08/555324608.db2.gz IIKZOQZMYQYSSM-DEOSSOPVSA-N 0 0 542.723 4.917 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000103170398 555324624 /nfs/dbraw/zinc/32/46/24/555324624.db2.gz IIKZOQZMYQYSSM-XMMPIXPASA-N 0 0 542.723 4.917 50 0 KJAARN COc1ccc(CCN(C)C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5cccc(F)c5)n4)c(=O)n23)cc1OC ZINC000103170796 555325007 /nfs/dbraw/zinc/32/50/07/555325007.db2.gz OXUCULUXCPJQKM-UHFFFAOYSA-N 0 0 575.666 4.625 50 0 KJAARN COc1ccc(CCN(C)C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccc(F)cc5)n4)c(=O)n23)cc1OC ZINC000103170806 555325056 /nfs/dbraw/zinc/32/50/56/555325056.db2.gz JEMDYLDAXOPMRM-UHFFFAOYSA-N 0 0 575.666 4.625 50 0 KJAARN Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCN(C(=O)c5ccc6c(c5)OCO6)CC4)n23)c1 ZINC000103171385 555325337 /nfs/dbraw/zinc/32/53/37/555325337.db2.gz UJLXFWHIAPYNJZ-UHFFFAOYSA-N 0 0 526.984 4.597 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000103171451 555325318 /nfs/dbraw/zinc/32/53/18/555325318.db2.gz HPMDBVJSEMIVSC-LADGPHEKSA-N 0 0 538.641 4.722 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000103171453 555325277 /nfs/dbraw/zinc/32/52/77/555325277.db2.gz HPMDBVJSEMIVSC-UPVQGACJSA-N 0 0 538.641 4.722 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000103171455 555325242 /nfs/dbraw/zinc/32/52/42/555325242.db2.gz HPMDBVJSEMIVSC-ISKFKSNPSA-N 0 0 538.641 4.722 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000103171458 555325287 /nfs/dbraw/zinc/32/52/87/555325287.db2.gz HPMDBVJSEMIVSC-VWNXMTODSA-N 0 0 538.641 4.722 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1)CC1CCCCC1 ZINC000103171537 555325462 /nfs/dbraw/zinc/32/54/62/555325462.db2.gz HAMDGLQATTUDNI-UHFFFAOYSA-N 0 0 587.758 4.700 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000103171543 555325370 /nfs/dbraw/zinc/32/53/70/555325370.db2.gz YRMUSIWFXFGQAO-DVECYGJZSA-N 0 0 536.650 4.931 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000103171546 555325395 /nfs/dbraw/zinc/32/53/95/555325395.db2.gz YRMUSIWFXFGQAO-CYFREDJKSA-N 0 0 536.650 4.931 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000103171549 555325411 /nfs/dbraw/zinc/32/54/11/555325411.db2.gz YRMUSIWFXFGQAO-NTKDMRAZSA-N 0 0 536.650 4.931 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000103171553 555325455 /nfs/dbraw/zinc/32/54/55/555325455.db2.gz YRMUSIWFXFGQAO-YADARESESA-N 0 0 536.650 4.931 50 0 KJAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)CCC2CCCC2)CC1)S(=O)(=O)c1ccccc1 ZINC000103171663 555325443 /nfs/dbraw/zinc/32/54/43/555325443.db2.gz USWOAWGQYMJMMK-UHFFFAOYSA-N 0 0 583.795 4.622 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2cccc(F)c2)CC1)CC1CCCCC1 ZINC000103171669 555325372 /nfs/dbraw/zinc/32/53/72/555325372.db2.gz SIJDBDADVDVBSW-UHFFFAOYSA-N 0 0 587.758 4.700 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccccc2C)CC1)CC1CCCCC1 ZINC000103171694 555325407 /nfs/dbraw/zinc/32/54/07/555325407.db2.gz MQXGUPXEBDGKII-UHFFFAOYSA-N 0 0 583.795 4.869 50 0 KJAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)c2ccc(C)cc2)CC1)CC1CCCCC1 ZINC000103171727 555325386 /nfs/dbraw/zinc/32/53/86/555325386.db2.gz ILSBBVIHNUVCDZ-UHFFFAOYSA-N 0 0 583.795 4.869 50 0 KJAARN COc1ccc(C(=O)N2CCC(N(Cc3ccc(F)cc3)C(=O)CN(C3CC3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000103171735 555325377 /nfs/dbraw/zinc/32/53/77/555325377.db2.gz CKMPCUNTMXRUDF-UHFFFAOYSA-N 0 0 593.721 4.629 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c2)c1 ZINC000103171830 555325695 /nfs/dbraw/zinc/32/56/95/555325695.db2.gz MDMMAXDFSKVTTR-AREMUKBSSA-N 0 0 535.666 4.912 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)N[C@H]3CCCc4ccccc43)c2)c1 ZINC000103171833 555325671 /nfs/dbraw/zinc/32/56/71/555325671.db2.gz MDMMAXDFSKVTTR-SANMLTNESA-N 0 0 535.666 4.912 50 0 KJAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)OCc2ccc(C)cc2)c1 ZINC000103172109 555325684 /nfs/dbraw/zinc/32/56/84/555325684.db2.gz GRLDUCAATLBVFM-MHZLTWQESA-N 0 0 546.636 4.869 50 0 KJAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)OCc2ccc(C)cc2)c1 ZINC000103172114 555325691 /nfs/dbraw/zinc/32/56/91/555325691.db2.gz GRLDUCAATLBVFM-HHHXNRCGSA-N 0 0 546.636 4.869 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000103172607 555325865 /nfs/dbraw/zinc/32/58/65/555325865.db2.gz XOUXUHYARZNTNM-DEOSSOPVSA-N 0 0 540.707 4.671 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000103172610 555325848 /nfs/dbraw/zinc/32/58/48/555325848.db2.gz XOUXUHYARZNTNM-XMMPIXPASA-N 0 0 540.707 4.671 50 0 KJAARN COc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)N[C@@H](C)CCc4ccccc4)n3c2=O)cc1C ZINC000103172784 555325835 /nfs/dbraw/zinc/32/58/35/555325835.db2.gz VDVHNSBESFIIIF-IBGZPJMESA-N 0 0 541.677 4.914 50 0 KJAARN COc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)N[C@H](C)CCc4ccccc4)n3c2=O)cc1C ZINC000103172787 555325811 /nfs/dbraw/zinc/32/58/11/555325811.db2.gz VDVHNSBESFIIIF-LJQANCHMSA-N 0 0 541.677 4.914 50 0 KJAARN O=C(c1ccc2c(c1)OCO2)N1CCCN(c2nc3ccccc3c3nnc(-c4ccccc4Cl)n32)CC1 ZINC000103172847 555325860 /nfs/dbraw/zinc/32/58/60/555325860.db2.gz WEJIEKWLBSWBGN-UHFFFAOYSA-N 0 0 526.984 4.679 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c1 ZINC000103172849 555325815 /nfs/dbraw/zinc/32/58/15/555325815.db2.gz KOJCQBKUJMTOEC-BKMJKUGQSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c1 ZINC000103172851 555325887 /nfs/dbraw/zinc/32/58/87/555325887.db2.gz KOJCQBKUJMTOEC-NVQXNPDNSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)c1 ZINC000103172854 555325822 /nfs/dbraw/zinc/32/58/22/555325822.db2.gz KOJCQBKUJMTOEC-ATIYNZHBSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)c1 ZINC000103172857 555326040 /nfs/dbraw/zinc/32/60/40/555326040.db2.gz KOJCQBKUJMTOEC-GJZUVCINSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(C)cc2)c1 ZINC000103172880 555326039 /nfs/dbraw/zinc/32/60/39/555326039.db2.gz OPIGCKDLTGPVII-BDYUSTAISA-N 0 0 534.678 4.891 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(C)cc2)c1 ZINC000103172882 555326052 /nfs/dbraw/zinc/32/60/52/555326052.db2.gz OPIGCKDLTGPVII-VPUSJEBWSA-N 0 0 534.678 4.891 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(C)cc2)c1 ZINC000103172886 555326045 /nfs/dbraw/zinc/32/60/45/555326045.db2.gz OPIGCKDLTGPVII-AHKZPQOWSA-N 0 0 534.678 4.891 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(C)cc2)c1 ZINC000103172889 555326041 /nfs/dbraw/zinc/32/60/41/555326041.db2.gz OPIGCKDLTGPVII-XNMGPUDCSA-N 0 0 534.678 4.891 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2OC)c1 ZINC000103172940 555326076 /nfs/dbraw/zinc/32/60/76/555326076.db2.gz VHOWDXXRRGELBQ-JYFHCDHNSA-N 0 0 550.677 4.592 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2OC)c1 ZINC000103172943 555326072 /nfs/dbraw/zinc/32/60/72/555326072.db2.gz VHOWDXXRRGELBQ-OZXSUGGESA-N 0 0 550.677 4.592 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2OC)c1 ZINC000103172946 555326054 /nfs/dbraw/zinc/32/60/54/555326054.db2.gz VHOWDXXRRGELBQ-ZEQKJWHPSA-N 0 0 550.677 4.592 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2OC)c1 ZINC000103172948 555326065 /nfs/dbraw/zinc/32/60/65/555326065.db2.gz VHOWDXXRRGELBQ-BVAGGSTKSA-N 0 0 550.677 4.592 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(OC)c2)c1 ZINC000103172962 555326046 /nfs/dbraw/zinc/32/60/46/555326046.db2.gz YCHILXNRWVPXDZ-BDYUSTAISA-N 0 0 550.677 4.592 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(OC)c2)c1 ZINC000103172964 555326058 /nfs/dbraw/zinc/32/60/58/555326058.db2.gz YCHILXNRWVPXDZ-VPUSJEBWSA-N 0 0 550.677 4.592 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(OC)c2)c1 ZINC000103172966 555326079 /nfs/dbraw/zinc/32/60/79/555326079.db2.gz YCHILXNRWVPXDZ-AHKZPQOWSA-N 0 0 550.677 4.592 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(OC)c2)c1 ZINC000103172968 555326042 /nfs/dbraw/zinc/32/60/42/555326042.db2.gz YCHILXNRWVPXDZ-XNMGPUDCSA-N 0 0 550.677 4.592 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)c1 ZINC000103173022 555326083 /nfs/dbraw/zinc/32/60/83/555326083.db2.gz RGESLMWXJWLDMC-AZGAKELHSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)c1 ZINC000103173026 555326048 /nfs/dbraw/zinc/32/60/48/555326048.db2.gz RGESLMWXJWLDMC-AHWVRZQESA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)c1 ZINC000103173027 555326050 /nfs/dbraw/zinc/32/60/50/555326050.db2.gz RGESLMWXJWLDMC-AOYPEHQESA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)c1 ZINC000103173031 555326071 /nfs/dbraw/zinc/32/60/71/555326071.db2.gz RGESLMWXJWLDMC-RSXGOPAZSA-N 0 0 538.641 4.722 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103173302 555326277 /nfs/dbraw/zinc/32/62/77/555326277.db2.gz LGLWEKMTDRGTOI-DEOSSOPVSA-N 0 0 567.104 4.773 50 0 KJAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103173305 555326313 /nfs/dbraw/zinc/32/63/13/555326313.db2.gz LGLWEKMTDRGTOI-XMMPIXPASA-N 0 0 567.104 4.773 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)CC2CC2)cc1 ZINC000103173410 555326448 /nfs/dbraw/zinc/32/64/48/555326448.db2.gz KWCGNKLKUDXQPN-VWLOTQADSA-N 0 0 544.670 4.502 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)CC2CC2)cc1 ZINC000103173412 555326472 /nfs/dbraw/zinc/32/64/72/555326472.db2.gz KWCGNKLKUDXQPN-RUZDIDTESA-N 0 0 544.670 4.502 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000103173964 555326481 /nfs/dbraw/zinc/32/64/81/555326481.db2.gz LJAIOVSONGJIGP-MHZLTWQESA-N 0 0 537.035 4.996 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4F)CC3)[C@@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000103173966 555326467 /nfs/dbraw/zinc/32/64/67/555326467.db2.gz LJAIOVSONGJIGP-HHHXNRCGSA-N 0 0 537.035 4.996 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2)c1 ZINC000103174784 555326748 /nfs/dbraw/zinc/32/67/48/555326748.db2.gz RJLFHJBEOKYNFQ-AHKZPQOWSA-N 0 0 534.678 4.512 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2)c1 ZINC000103174786 555326750 /nfs/dbraw/zinc/32/67/50/555326750.db2.gz RJLFHJBEOKYNFQ-BDYUSTAISA-N 0 0 534.678 4.512 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)c1 ZINC000103174789 555326760 /nfs/dbraw/zinc/32/67/60/555326760.db2.gz RJLFHJBEOKYNFQ-XNMGPUDCSA-N 0 0 534.678 4.512 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2)c1 ZINC000103174792 555326780 /nfs/dbraw/zinc/32/67/80/555326780.db2.gz RJLFHJBEOKYNFQ-VPUSJEBWSA-N 0 0 534.678 4.512 50 0 KJAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000103175801 555327187 /nfs/dbraw/zinc/32/71/87/555327187.db2.gz UMVKKPROYCLPOE-UHFFFAOYSA-N 0 0 566.482 4.625 50 0 KJAARN CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)C(=O)C[C@H]1c1ccc(C)cc1 ZINC000103175923 555327182 /nfs/dbraw/zinc/32/71/82/555327182.db2.gz ROVMEXSQTUEWNL-MHZLTWQESA-N 0 0 546.664 4.764 50 0 KJAARN CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)C(=O)C[C@@H]1c1ccc(C)cc1 ZINC000103175925 555327221 /nfs/dbraw/zinc/32/72/21/555327221.db2.gz ROVMEXSQTUEWNL-HHHXNRCGSA-N 0 0 546.664 4.764 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccc(F)cc3)[C@@H](c3ccccc3C)SCC2=O)CC1 ZINC000103176589 555327420 /nfs/dbraw/zinc/32/74/20/555327420.db2.gz IANMDNNVMCXVRV-JGCGQSQUSA-N 0 0 597.716 4.847 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3ccc(F)cc3)[C@H](c3ccccc3C)SCC2=O)CC1 ZINC000103176593 555327426 /nfs/dbraw/zinc/32/74/26/555327426.db2.gz IANMDNNVMCXVRV-YTTGMZPUSA-N 0 0 597.716 4.847 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103176648 555327472 /nfs/dbraw/zinc/32/74/72/555327472.db2.gz JNMHQCMZCLMNKX-SSEXGKCCSA-N 0 0 572.662 4.715 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103176653 555327412 /nfs/dbraw/zinc/32/74/12/555327412.db2.gz JNMHQCMZCLMNKX-PMERELPUSA-N 0 0 572.662 4.715 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2ccccc2OC)cc1 ZINC000103176678 555327457 /nfs/dbraw/zinc/32/74/57/555327457.db2.gz BHZZJOLXKJVYSI-HKBQPEDESA-N 0 0 584.698 4.585 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2ccccc2OC)cc1 ZINC000103176681 555327404 /nfs/dbraw/zinc/32/74/04/555327404.db2.gz BHZZJOLXKJVYSI-WJOKGBTCSA-N 0 0 584.698 4.585 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(C(C)(C)C)nn2-c1ccc(C)cc1C ZINC000103176697 555327636 /nfs/dbraw/zinc/32/76/36/555327636.db2.gz HGYNCTQWYHFFCB-NDEPHWFRSA-N 0 0 562.736 4.823 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(C(C)(C)C)nn2-c1ccc(C)cc1C ZINC000103176700 555327653 /nfs/dbraw/zinc/32/76/53/555327653.db2.gz HGYNCTQWYHFFCB-MUUNZHRXSA-N 0 0 562.736 4.823 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)C[C@@H]2CCCO2)c1 ZINC000103177366 555327883 /nfs/dbraw/zinc/32/78/83/555327883.db2.gz GDOPDELTGBNQAX-AHWVRZQESA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)C[C@H]2CCCO2)c1 ZINC000103177370 555327870 /nfs/dbraw/zinc/32/78/70/555327870.db2.gz GDOPDELTGBNQAX-RSXGOPAZSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)C[C@@H]2CCCO2)c1 ZINC000103177374 555327879 /nfs/dbraw/zinc/32/78/79/555327879.db2.gz GDOPDELTGBNQAX-AZGAKELHSA-N 0 0 538.641 4.722 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)C[C@H]2CCCO2)c1 ZINC000103177379 555327851 /nfs/dbraw/zinc/32/78/51/555327851.db2.gz GDOPDELTGBNQAX-AOYPEHQESA-N 0 0 538.641 4.722 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000103177419 555327866 /nfs/dbraw/zinc/32/78/66/555327866.db2.gz NWCHAXRPWTWSBE-DEOSSOPVSA-N 0 0 532.659 4.502 50 0 KJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000103177422 555327858 /nfs/dbraw/zinc/32/78/58/555327858.db2.gz NWCHAXRPWTWSBE-XMMPIXPASA-N 0 0 532.659 4.502 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)C[C@@H]2CCCO2)cc1 ZINC000103177510 555327887 /nfs/dbraw/zinc/32/78/87/555327887.db2.gz NOODVGNCCPCXKT-OZXSUGGESA-N 0 0 558.697 4.570 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)C[C@H]2CCCO2)cc1 ZINC000103177514 555327863 /nfs/dbraw/zinc/32/78/63/555327863.db2.gz NOODVGNCCPCXKT-BVAGGSTKSA-N 0 0 558.697 4.570 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000103177549 555327903 /nfs/dbraw/zinc/32/79/03/555327903.db2.gz MXOGUWZOPWWIKU-WIOPSUGQSA-N 0 0 579.115 4.915 50 0 KJAARN O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000103177551 555327868 /nfs/dbraw/zinc/32/78/68/555327868.db2.gz MXOGUWZOPWWIKU-DHLKQENFSA-N 0 0 579.115 4.915 50 0 KJAARN O=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000103177589 555328084 /nfs/dbraw/zinc/32/80/84/555328084.db2.gz XRJBYKHOKUXMDM-JOCHJYFZSA-N 0 0 535.062 4.899 50 0 KJAARN O=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000103177592 555328111 /nfs/dbraw/zinc/32/81/11/555328111.db2.gz XRJBYKHOKUXMDM-QFIPXVFZSA-N 0 0 535.062 4.899 50 0 KJAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1=O)N1CCCCC1 ZINC000103177705 555328062 /nfs/dbraw/zinc/32/80/62/555328062.db2.gz VLANEVQOZJJULV-UHFFFAOYSA-N 0 0 544.483 4.679 50 0 KJAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)NC2CCCCC2)CC1)S(=O)(=O)c1ccccc1 ZINC000103178124 555328069 /nfs/dbraw/zinc/32/80/69/555328069.db2.gz DGUSJPZEVBSMRE-UHFFFAOYSA-N 0 0 584.783 4.631 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3cccc(C)c3)[C@H](c3cccc(F)c3)SCC2=O)CC1 ZINC000103178174 555328269 /nfs/dbraw/zinc/32/82/69/555328269.db2.gz SVYCUOCQDAGCAC-YTTGMZPUSA-N 0 0 597.716 4.847 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3cccc(C)c3)[C@@H](c3cccc(F)c3)SCC2=O)CC1 ZINC000103178179 555328280 /nfs/dbraw/zinc/32/82/80/555328280.db2.gz SVYCUOCQDAGCAC-JGCGQSQUSA-N 0 0 597.716 4.847 50 0 KJAARN COc1ccc(CN(C(C)C)S(=O)(=O)c2cccc3cccnc32)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000103178301 555328296 /nfs/dbraw/zinc/32/82/96/555328296.db2.gz XQHLENWUQKONCZ-UHFFFAOYSA-N 0 0 544.626 4.750 50 0 KJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000103178416 555328332 /nfs/dbraw/zinc/32/83/32/555328332.db2.gz QLSNLGHBDALVTH-UHFFFAOYSA-N 0 0 558.630 4.996 50 0 KJAARN COCc1nnc(SCc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)n1-c1ccc(OC)cc1 ZINC000103178418 555328315 /nfs/dbraw/zinc/32/83/15/555328315.db2.gz SKZBVQSQTDCIAN-UHFFFAOYSA-N 0 0 547.656 4.816 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000103178503 555328363 /nfs/dbraw/zinc/32/83/63/555328363.db2.gz XRMNULJLQCBWDH-CLOONOSVSA-N 0 0 546.686 4.890 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000103178507 555328353 /nfs/dbraw/zinc/32/83/53/555328353.db2.gz XRMNULJLQCBWDH-DFBJGRDBSA-N 0 0 546.686 4.890 50 0 KJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2C)cc1 ZINC000103178528 555328292 /nfs/dbraw/zinc/32/82/92/555328292.db2.gz HNULKCARHJSXKT-UHFFFAOYSA-N 0 0 537.664 4.569 50 0 KJAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000103179080 555328519 /nfs/dbraw/zinc/32/85/19/555328519.db2.gz RGLCVHISDGBLTJ-QFIPXVFZSA-N 0 0 536.650 4.789 50 0 KJAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000103179083 555328486 /nfs/dbraw/zinc/32/84/86/555328486.db2.gz RGLCVHISDGBLTJ-JOCHJYFZSA-N 0 0 536.650 4.789 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccc(F)c2)c(C)c1 ZINC000103179912 555328784 /nfs/dbraw/zinc/32/87/84/555328784.db2.gz ROXITVQHJDLBLM-MHZLTWQESA-N 0 0 550.700 4.954 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccc(F)c2)c(C)c1 ZINC000103179915 555328776 /nfs/dbraw/zinc/32/87/76/555328776.db2.gz ROXITVQHJDLBLM-HHHXNRCGSA-N 0 0 550.700 4.954 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000103180022 555328741 /nfs/dbraw/zinc/32/87/41/555328741.db2.gz HINWNSOXBKUQLP-VWLOTQADSA-N 0 0 538.645 4.733 50 0 KJAARN CCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000103180026 555328773 /nfs/dbraw/zinc/32/87/73/555328773.db2.gz HINWNSOXBKUQLP-RUZDIDTESA-N 0 0 538.645 4.733 50 0 KJAARN O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(C(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000103180350 555328930 /nfs/dbraw/zinc/32/89/30/555328930.db2.gz HADVWOLVTGOQEE-UHFFFAOYSA-N 0 0 537.035 4.526 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NC[C@@H]3CCCO3)C[C@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000103180565 555328882 /nfs/dbraw/zinc/32/88/82/555328882.db2.gz IDTULPJGGSDAIN-DIQJCLFTSA-N 0 0 548.051 4.929 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NC[C@@H]3CCCO3)C[C@@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000103180569 555328975 /nfs/dbraw/zinc/32/89/75/555328975.db2.gz IDTULPJGGSDAIN-GPZUMTPVSA-N 0 0 548.051 4.929 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NC[C@H]3CCCO3)C[C@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000103180572 555328979 /nfs/dbraw/zinc/32/89/79/555328979.db2.gz IDTULPJGGSDAIN-LORCLXKWSA-N 0 0 548.051 4.929 50 0 KJAARN CCOc1ccc(NC(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000103180574 555328913 /nfs/dbraw/zinc/32/89/13/555328913.db2.gz GROSYINLXMMUGF-NDEPHWFRSA-N 0 0 536.673 5.000 50 0 KJAARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NC[C@H]3CCCO3)C[C@@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000103180576 555329017 /nfs/dbraw/zinc/32/90/17/555329017.db2.gz IDTULPJGGSDAIN-YDFAFHLXSA-N 0 0 548.051 4.929 50 0 KJAARN CCOc1ccc(NC(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000103180579 555328957 /nfs/dbraw/zinc/32/89/57/555328957.db2.gz GROSYINLXMMUGF-MUUNZHRXSA-N 0 0 536.673 5.000 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4nnc(-c5ccccc5)o4)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000103181118 555328901 /nfs/dbraw/zinc/32/89/01/555328901.db2.gz OXLRPOTYLXJWLC-UHFFFAOYSA-N 0 0 566.593 4.868 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000103181164 555329275 /nfs/dbraw/zinc/32/92/75/555329275.db2.gz MUZMRHDXXFFSLZ-UHFFFAOYSA-N 0 0 604.194 4.503 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2ccccc2F)cc1 ZINC000103181211 555329273 /nfs/dbraw/zinc/32/92/73/555329273.db2.gz SHKSGBYWLBSELB-PMERELPUSA-N 0 0 572.662 4.715 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2ccccc2F)cc1 ZINC000103181215 555329241 /nfs/dbraw/zinc/32/92/41/555329241.db2.gz SHKSGBYWLBSELB-SSEXGKCCSA-N 0 0 572.662 4.715 50 0 KJAARN CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103181805 555329225 /nfs/dbraw/zinc/32/92/25/555329225.db2.gz JMQBGVMKBZTEDH-UHFFFAOYSA-N 0 0 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Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000103199819 555336649 /nfs/dbraw/zinc/33/66/49/555336649.db2.gz VMOAFUMHRFCLQW-SANMLTNESA-N 0 0 532.666 4.655 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000103199823 555336659 /nfs/dbraw/zinc/33/66/59/555336659.db2.gz VMOAFUMHRFCLQW-AREMUKBSSA-N 0 0 532.666 4.655 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3cccs3)nn2-c2ccccc2C)[C@H](c2ccc(F)cc2)SCC1=O ZINC000103199865 555336869 /nfs/dbraw/zinc/33/68/69/555336869.db2.gz REYBBZPBRXXGGV-MHZLTWQESA-N 0 0 550.681 4.980 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3cccs3)nn2-c2ccccc2C)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000103199868 555336966 /nfs/dbraw/zinc/33/69/66/555336966.db2.gz REYBBZPBRXXGGV-HHHXNRCGSA-N 0 0 550.681 4.980 50 0 KJAARN COc1ccc(CCNC(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccc(C)cc5C)n4)c(=O)n23)cc1OC ZINC000103200859 555337241 /nfs/dbraw/zinc/33/72/41/555337241.db2.gz UTVFZPWHKKNBGX-UHFFFAOYSA-N 0 0 571.703 4.761 50 0 KJAARN COC(=O)CCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc(OC)cc2)CC1 ZINC000103200955 555337244 /nfs/dbraw/zinc/33/72/44/555337244.db2.gz MWQDEZFUCLIQDC-GDLZYMKVSA-N 0 0 579.738 4.894 50 0 KJAARN CCOC(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc21 ZINC000103200994 555337249 /nfs/dbraw/zinc/33/72/49/555337249.db2.gz ZEPGLOGONFBSBD-AHKZPQOWSA-N 0 0 549.627 4.714 50 0 KJAARN CCOC(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2cc(NC(=O)[C@H]3C[C@H]3c3ccccc3)ccc21 ZINC000103200997 555337220 /nfs/dbraw/zinc/33/72/20/555337220.db2.gz ZEPGLOGONFBSBD-BDYUSTAISA-N 0 0 549.627 4.714 50 0 KJAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(N[C@@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)cc2)CC1 ZINC000103201157 555337555 /nfs/dbraw/zinc/33/75/55/555337555.db2.gz OLXLKXFAWMMGBF-QCDSWUKFSA-N 0 0 540.664 4.793 50 0 KJAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(N[C@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)cc2)CC1 ZINC000103201159 555337531 /nfs/dbraw/zinc/33/75/31/555337531.db2.gz OLXLKXFAWMMGBF-SETSBSEESA-N 0 0 540.664 4.793 50 0 KJAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(N[C@@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)cc2)CC1 ZINC000103201162 555337520 /nfs/dbraw/zinc/33/75/20/555337520.db2.gz OLXLKXFAWMMGBF-RNAHPLFWSA-N 0 0 540.664 4.793 50 0 KJAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(N[C@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)cc2)CC1 ZINC000103201164 555337481 /nfs/dbraw/zinc/33/74/81/555337481.db2.gz OLXLKXFAWMMGBF-FYBSXPHGSA-N 0 0 540.664 4.793 50 0 KJAARN CCCc1nc2onc(-c3cccc(C(F)(F)F)c3)c2c(N2CCCN(C(=O)CCC(=O)OCC)CC2)n1 ZINC000103201871 555337498 /nfs/dbraw/zinc/33/74/98/555337498.db2.gz VBJFSIWECJMNOD-UHFFFAOYSA-N 0 0 533.551 4.638 50 0 KJAARN CCOC(=O)C1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccccc5Cl)cc43)o2)CC1 ZINC000103202287 555337827 /nfs/dbraw/zinc/33/78/27/555337827.db2.gz YHJNNPNVXGAYIF-UHFFFAOYSA-N 0 0 581.021 4.536 50 0 KJAARN COc1ccc([C@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(C(C)(C)C)nn3-c2ccccc2Cl)cc1OC ZINC000103202317 555337879 /nfs/dbraw/zinc/33/78/79/555337879.db2.gz CTLFLVZTAUOSTH-HHHXNRCGSA-N 0 0 599.153 4.868 50 0 KJAARN COc1ccc([C@@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(C(C)(C)C)nn3-c2ccccc2Cl)cc1OC ZINC000103202319 555337814 /nfs/dbraw/zinc/33/78/14/555337814.db2.gz CTLFLVZTAUOSTH-MHZLTWQESA-N 0 0 599.153 4.868 50 0 KJAARN CC(C)(C)c1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2CC(=O)N1CCOCC1 ZINC000103202340 555337852 /nfs/dbraw/zinc/33/78/52/555337852.db2.gz UCOYWANLAIDZIN-AREMUKBSSA-N 0 0 583.110 4.580 50 0 KJAARN CC(C)(C)c1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(=O)N2CC(=O)N1CCOCC1 ZINC000103202342 555337856 /nfs/dbraw/zinc/33/78/56/555337856.db2.gz UCOYWANLAIDZIN-SANMLTNESA-N 0 0 583.110 4.580 50 0 KJAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCc3ccc(F)cc3)c3c2c(-c2ccccc2)nn3C)c1 ZINC000103202392 555337871 /nfs/dbraw/zinc/33/78/71/555337871.db2.gz RZDKZAXLJPSXIL-LJAQVGFWSA-N 0 0 560.651 4.729 50 0 KJAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCc3ccc(F)cc3)c3c2c(-c2ccccc2)nn3C)c1 ZINC000103202396 555337888 /nfs/dbraw/zinc/33/78/88/555337888.db2.gz RZDKZAXLJPSXIL-GDLZYMKVSA-N 0 0 560.651 4.729 50 0 KJAARN COCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccccc1OC ZINC000103202870 555338103 /nfs/dbraw/zinc/33/81/03/555338103.db2.gz UIGCBDIDGOLPKV-UHFFFAOYSA-N 0 0 546.595 4.648 50 0 KJAARN COc1ccc(CCNC(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5cc(C)ccc5C)n4)c(=O)n23)cc1OC ZINC000103202988 555338081 /nfs/dbraw/zinc/33/80/81/555338081.db2.gz PSEBEMINAVHQSP-UHFFFAOYSA-N 0 0 571.703 4.761 50 0 KJAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000103203439 555338267 /nfs/dbraw/zinc/33/82/67/555338267.db2.gz KAIDIHJZPSPMCV-DEOSSOPVSA-N 0 0 584.629 4.545 50 0 KJAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000103203441 555338260 /nfs/dbraw/zinc/33/82/60/555338260.db2.gz KAIDIHJZPSPMCV-XMMPIXPASA-N 0 0 584.629 4.545 50 0 KJAARN CCCN(CC(=O)Nc1cc(N2CCN(C(=O)NC(C)C)CC2)ccc1Cl)C(=O)c1ccccc1Cl ZINC000103203702 555338551 /nfs/dbraw/zinc/33/85/51/555338551.db2.gz BFEPFOGGEVVNCA-UHFFFAOYSA-N 0 0 534.488 4.724 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)NC(C)C ZINC000103203824 555338603 /nfs/dbraw/zinc/33/86/03/555338603.db2.gz NIZXAGVPZAPTQC-UHFFFAOYSA-N 0 0 548.610 4.828 50 0 KJAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)c1ccccc1Cl ZINC000103203829 555338607 /nfs/dbraw/zinc/33/86/07/555338607.db2.gz ZTHOZLMBEJJEJQ-UHFFFAOYSA-N 0 0 537.035 4.932 50 0 KJAARN COCCCNC(=O)c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000103204019 555338613 /nfs/dbraw/zinc/33/86/13/555338613.db2.gz HANXQQVIRGYKBW-UHFFFAOYSA-N 0 0 553.610 4.710 50 0 KJAARN COCCCNC(=O)c1cc(NC(=O)Nc2ccc(F)c(F)c2)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000103204046 555338521 /nfs/dbraw/zinc/33/85/21/555338521.db2.gz ARFKUVJRXULTCJ-UHFFFAOYSA-N 0 0 553.610 4.710 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2C)CC2CC2)cc1 ZINC000103204499 555338615 /nfs/dbraw/zinc/33/86/15/555338615.db2.gz OHNJZLOCEQQOIX-RUZDIDTESA-N 0 0 540.707 4.671 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2C)CC2CC2)cc1 ZINC000103204501 555338819 /nfs/dbraw/zinc/33/88/19/555338819.db2.gz OHNJZLOCEQQOIX-VWLOTQADSA-N 0 0 540.707 4.671 50 0 KJAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(CCN2CCOCC2)C(=O)Nc2ccccc2OC)c1 ZINC000103204618 555338928 /nfs/dbraw/zinc/33/89/28/555338928.db2.gz SZAWTFOLCOARSS-LJAQVGFWSA-N 0 0 636.149 4.910 50 0 KJAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(CCN2CCOCC2)C(=O)Nc2ccccc2OC)c1 ZINC000103204621 555338862 /nfs/dbraw/zinc/33/88/62/555338862.db2.gz SZAWTFOLCOARSS-GDLZYMKVSA-N 0 0 636.149 4.910 50 0 KJAARN COCCCNC(=O)c1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000103204637 555338802 /nfs/dbraw/zinc/33/88/02/555338802.db2.gz ACBLDIFSNUPENE-UHFFFAOYSA-N 0 0 575.754 4.878 50 0 KJAARN COCCCNC(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000103204641 555338959 /nfs/dbraw/zinc/33/89/59/555338959.db2.gz QWJLIRRPWLWNTC-UHFFFAOYSA-N 0 0 535.620 4.571 50 0 KJAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000103205669 555338886 /nfs/dbraw/zinc/33/88/86/555338886.db2.gz XWJVVFNBCUYFLF-UHFFFAOYSA-N 0 0 585.811 4.654 50 0 KJAARN O=C(CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O)NC1CC1 ZINC000103208259 555339507 /nfs/dbraw/zinc/33/95/07/555339507.db2.gz HZXHHWZCLIXMRR-GDLZYMKVSA-N 0 0 556.619 4.855 50 0 KJAARN O=C(CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)SCC1=O)NC1CC1 ZINC000103208262 555339505 /nfs/dbraw/zinc/33/95/05/555339505.db2.gz HZXHHWZCLIXMRR-LJAQVGFWSA-N 0 0 556.619 4.855 50 0 KJAARN CCOC(=O)CCC(=O)N1CCCN(c2nc(CC(C)C)nc3onc(-c4cccc(C(F)(F)F)c4)c32)CC1 ZINC000103209000 555339340 /nfs/dbraw/zinc/33/93/40/555339340.db2.gz NXRBEPJMBOIZIL-UHFFFAOYSA-N 0 0 547.578 4.884 50 0 KJAARN O=C(COc1ccc(Cl)cc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000103209033 555339430 /nfs/dbraw/zinc/33/94/30/555339430.db2.gz OGBZANLRXLHNJQ-UHFFFAOYSA-N 0 0 539.039 4.787 50 0 KJAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)COc4ccccc4)CC3)c12 ZINC000103209109 555339459 /nfs/dbraw/zinc/33/94/59/555339459.db2.gz GUJGWBYEBYIING-UHFFFAOYSA-N 0 0 532.648 4.832 50 0 KJAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000103210326 555339665 /nfs/dbraw/zinc/33/96/65/555339665.db2.gz FGTTZEVESUIEIW-UHFFFAOYSA-N 0 0 540.682 4.586 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5cc(Cl)ccc5C)n4)c(=O)n23)C1 ZINC000103211464 555340052 /nfs/dbraw/zinc/34/00/52/555340052.db2.gz KRAUZMIBZULXHD-LJQANCHMSA-N 0 0 568.099 4.532 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5cc(Cl)ccc5C)n4)c(=O)n23)C1 ZINC000103211469 555339994 /nfs/dbraw/zinc/33/99/94/555339994.db2.gz KRAUZMIBZULXHD-IBGZPJMESA-N 0 0 568.099 4.532 50 0 KJAARN CC(=O)N1CCN(C(=O)c2coc(CN(Cc3cccc(Cl)c3)Cc3cccc(C(F)(F)F)c3)n2)CC1 ZINC000103211999 555340175 /nfs/dbraw/zinc/34/01/75/555340175.db2.gz RANIZHNPYMEIFM-UHFFFAOYSA-N 0 0 534.966 4.854 50 0 KJAARN O=C(CSc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000103213291 555340597 /nfs/dbraw/zinc/34/05/97/555340597.db2.gz CLKHUPVMNGSBST-IPGZOCRXSA-N 0 0 539.767 4.729 50 0 KJAARN O=C(CSc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000103213293 555340519 /nfs/dbraw/zinc/34/05/19/555340519.db2.gz CLKHUPVMNGSBST-UBMWJQISSA-N 0 0 539.767 4.729 50 0 KJAARN COc1ccc([C@@H]2SCC(=O)N(CC(=O)NCc3ccc(F)cc3)c3c2c(-c2ccccc2)nn3C)cc1OC ZINC000103213876 555340572 /nfs/dbraw/zinc/34/05/72/555340572.db2.gz SFARHIGHCAHSEX-LJAQVGFWSA-N 0 0 560.651 4.729 50 0 KJAARN COc1ccc([C@H]2SCC(=O)N(CC(=O)NCc3ccc(F)cc3)c3c2c(-c2ccccc2)nn3C)cc1OC ZINC000103213880 555340467 /nfs/dbraw/zinc/34/04/67/555340467.db2.gz SFARHIGHCAHSEX-GDLZYMKVSA-N 0 0 560.651 4.729 50 0 KJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000103217900 555340820 /nfs/dbraw/zinc/34/08/20/555340820.db2.gz OUPUAHWOQJDOKV-UHFFFAOYSA-N 0 0 612.127 4.602 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000103221004 555341145 /nfs/dbraw/zinc/34/11/45/555341145.db2.gz ZNHMXLMIKOJIPS-UHFFFAOYSA-N 0 0 546.574 4.965 50 0 KJAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cc(F)ccc4F)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000103224143 555341413 /nfs/dbraw/zinc/34/14/13/555341413.db2.gz GLYDHYJXSABGSS-UHFFFAOYSA-N 0 0 546.574 4.965 50 0 KJAARN COc1ccc(CCNC(=O)CSc2nc(Cl)cc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1OC ZINC000103224981 555341392 /nfs/dbraw/zinc/34/13/92/555341392.db2.gz CQDJTWIGHICQAP-UHFFFAOYSA-N 0 0 562.523 4.578 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000103225078 555341438 /nfs/dbraw/zinc/34/14/38/555341438.db2.gz TVIAHFVDSLFLET-WOLJRWFJSA-N 0 0 584.717 4.860 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2cc(C(=O)N3CCCC[C@@H]3C)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000103225346 555341757 /nfs/dbraw/zinc/34/17/57/555341757.db2.gz WCSLYTGVKYUJGY-FBLLAGFSSA-N 0 0 570.690 4.756 50 0 KJAARN COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)ccc1F ZINC000103226124 555341737 /nfs/dbraw/zinc/34/17/37/555341737.db2.gz PPBSMRGNIUXFKF-HXUWFJFHSA-N 0 0 511.619 4.603 50 0 KJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 ZINC000103228742 555341660 /nfs/dbraw/zinc/34/16/60/555341660.db2.gz IWTFCEBIYMRCOU-UDGWLPKNSA-N 0 0 513.509 4.769 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 ZINC000103229574 555341634 /nfs/dbraw/zinc/34/16/34/555341634.db2.gz HJQQUOHHEZDDNC-LADGPHEKSA-N 0 0 565.692 4.523 50 0 KJAARN CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 ZINC000103229577 555341710 /nfs/dbraw/zinc/34/17/10/555341710.db2.gz HJQQUOHHEZDDNC-UPVQGACJSA-N 0 0 565.692 4.523 50 0 KJAARN COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)c3ccc(Br)cc3)CC2)cs1 ZINC000103231446 555341973 /nfs/dbraw/zinc/34/19/73/555341973.db2.gz ZWUFNZRLSJTXJF-UHFFFAOYSA-N 0 0 544.471 4.964 50 0 KJAARN COc1cccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cccc(C(F)(F)F)c3)s2)c1 ZINC000103238189 555342915 /nfs/dbraw/zinc/34/29/15/555342915.db2.gz QCYCECMEFFIZBP-OAQYLSRUSA-N 0 0 562.595 4.761 50 0 KJAARN COc1cccc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3cccc(C(F)(F)F)c3)s2)c1 ZINC000103238192 555342962 /nfs/dbraw/zinc/34/29/62/555342962.db2.gz QCYCECMEFFIZBP-NRFANRHFSA-N 0 0 562.595 4.761 50 0 KJAARN COc1cccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc4ccccc4c3)s2)c1 ZINC000103238289 555342830 /nfs/dbraw/zinc/34/28/30/555342830.db2.gz APRXRNPYLHCINS-RUZDIDTESA-N 0 0 544.658 4.895 50 0 KJAARN COc1cccc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc4ccccc4c3)s2)c1 ZINC000103238292 555342974 /nfs/dbraw/zinc/34/29/74/555342974.db2.gz APRXRNPYLHCINS-VWLOTQADSA-N 0 0 544.658 4.895 50 0 KJAARN COc1cccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cccc4ccccc43)s2)c1 ZINC000103238324 555342967 /nfs/dbraw/zinc/34/29/67/555342967.db2.gz BVNHDAZOOIXTBH-XMMPIXPASA-N 0 0 544.658 4.895 50 0 KJAARN COc1cccc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3cccc4ccccc43)s2)c1 ZINC000103238327 555342899 /nfs/dbraw/zinc/34/28/99/555342899.db2.gz BVNHDAZOOIXTBH-DEOSSOPVSA-N 0 0 544.658 4.895 50 0 KJAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000103239294 555342782 /nfs/dbraw/zinc/34/27/82/555342782.db2.gz YHMASXOUYFYBNU-UHFFFAOYSA-N 0 0 532.859 4.915 50 0 KJAARN CCOc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC000103244326 555343172 /nfs/dbraw/zinc/34/31/72/555343172.db2.gz IPOTYEDNUAAVBX-NRFANRHFSA-N 0 0 531.594 4.704 50 0 KJAARN CCOc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC000103244329 555343135 /nfs/dbraw/zinc/34/31/35/555343135.db2.gz IPOTYEDNUAAVBX-OAQYLSRUSA-N 0 0 531.594 4.704 50 0 KJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(C(=O)N(C)Cc3ccccc3)c2)c1 ZINC000103247423 555343700 /nfs/dbraw/zinc/34/37/00/555343700.db2.gz VIIQXWHSFCFTEG-UHFFFAOYSA-N 0 0 552.631 4.775 50 0 KJAARN COc1ccc(-n2nc3nc(N4CCN(Cc5ccc(F)cc5)CC4)nc(-c4cccc(F)c4F)c3c2N)cc1 ZINC000103247646 555343663 /nfs/dbraw/zinc/34/36/63/555343663.db2.gz MOVHGAKMDRXUOP-UHFFFAOYSA-N 0 0 545.569 4.813 50 0 KJAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000103247660 555343783 /nfs/dbraw/zinc/34/37/83/555343783.db2.gz POQBORWVOAAUAG-UHFFFAOYSA-N 0 0 552.631 4.775 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccccc4)C(=O)c4ccco4)cc3)CC2)cc1 ZINC000103248029 555343838 /nfs/dbraw/zinc/34/38/38/555343838.db2.gz VGLFPNSYRQYZDH-UHFFFAOYSA-N 0 0 552.631 4.532 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(Cc4ccc(F)cc4)C(=O)c4ccco4)cc3)CC2)cc1 ZINC000103248123 555343796 /nfs/dbraw/zinc/34/37/96/555343796.db2.gz ORZZVNAUGYPCLL-UHFFFAOYSA-N 0 0 570.621 4.671 50 0 KJAARN CCOC(=O)C1CCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000103251446 555344144 /nfs/dbraw/zinc/34/41/44/555344144.db2.gz LCIJGBDHAGPQNC-MUUNZHRXSA-N 0 0 591.730 4.840 50 0 KJAARN CCOC(=O)C1CCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000103251451 555344193 /nfs/dbraw/zinc/34/41/93/555344193.db2.gz LCIJGBDHAGPQNC-NDEPHWFRSA-N 0 0 591.730 4.840 50 0 KJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)cc1F ZINC000103252711 555344571 /nfs/dbraw/zinc/34/45/71/555344571.db2.gz LTSPISBSIRUUHZ-UHFFFAOYSA-N 0 0 559.617 4.539 50 0 KJAARN COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2)cc1 ZINC000103252726 555344416 /nfs/dbraw/zinc/34/44/16/555344416.db2.gz DJPIADRPQYJBLI-UHFFFAOYSA-N 0 0 574.081 4.614 50 0 KJAARN Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(F)c2)cc1 ZINC000103252758 555344400 /nfs/dbraw/zinc/34/44/00/555344400.db2.gz GCLDAUKMJIRTJD-UHFFFAOYSA-N 0 0 555.654 4.708 50 0 KJAARN COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)cc1 ZINC000103252799 555344512 /nfs/dbraw/zinc/34/45/12/555344512.db2.gz UFTUVPSDUNVCHF-UHFFFAOYSA-N 0 0 592.071 4.754 50 0 KJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2C)cc1F ZINC000103252831 555344553 /nfs/dbraw/zinc/34/45/53/555344553.db2.gz GDOBMEXKPXOGEV-UHFFFAOYSA-N 0 0 555.654 4.708 50 0 KJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(CN(CCc3ccc(OC)c(OC)c3)Cc3ccc(OC)cc3OC)n2)C1 ZINC000103255050 555345428 /nfs/dbraw/zinc/34/54/28/555345428.db2.gz RHCHRHPROLLLPG-XMMPIXPASA-N 0 0 611.761 4.838 50 0 KJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2csc(CN(CCc3ccc(OC)c(OC)c3)Cc3ccc(OC)cc3OC)n2)C1 ZINC000103255051 555345466 /nfs/dbraw/zinc/34/54/66/555345466.db2.gz RHCHRHPROLLLPG-DEOSSOPVSA-N 0 0 611.761 4.838 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000103255453 555345409 /nfs/dbraw/zinc/34/54/09/555345409.db2.gz WMDLMZDKDMATID-YTTGMZPUSA-N 0 0 614.724 4.593 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000103255456 555345457 /nfs/dbraw/zinc/34/54/57/555345457.db2.gz WMDLMZDKDMATID-JGCGQSQUSA-N 0 0 614.724 4.593 50 0 KJAARN COc1cc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000103255461 555345460 /nfs/dbraw/zinc/34/54/60/555345460.db2.gz HVAOSJXOGPKBHC-UHFFFAOYSA-N 0 0 545.057 4.946 50 0 KJAARN COc1cc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1O ZINC000103255493 555345760 /nfs/dbraw/zinc/34/57/60/555345760.db2.gz SAZYIDMUENRECL-UHFFFAOYSA-N 0 0 531.030 4.643 50 0 KJAARN COc1ccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000103255535 555345726 /nfs/dbraw/zinc/34/57/26/555345726.db2.gz RRQHYPKXHFZIED-UHFFFAOYSA-N 0 0 545.057 4.946 50 0 KJAARN COc1cccc(N(C2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000103255575 555345746 /nfs/dbraw/zinc/34/57/46/555345746.db2.gz JPEWPNGISVJORX-UHFFFAOYSA-N 0 0 540.682 4.889 50 0 KJAARN COc1ccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1OC ZINC000103255588 555345753 /nfs/dbraw/zinc/34/57/53/555345753.db2.gz VERSLHWXJDIAPK-UHFFFAOYSA-N 0 0 575.083 4.954 50 0 KJAARN O=C(NCc1cccnc1)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2C(F)(F)F)n1 ZINC000103257524 555345981 /nfs/dbraw/zinc/34/59/81/555345981.db2.gz SAAWMPYRQIRWNL-UHFFFAOYSA-N 0 0 524.499 4.950 50 0 KJAARN CCCNC(=O)N(CCC)CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000103257996 555346282 /nfs/dbraw/zinc/34/62/82/555346282.db2.gz UZHNKFQDHBHDNJ-UHFFFAOYSA-N 0 0 548.610 4.830 50 0 KJAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(C(=O)OCCC)cc2)cc1 ZINC000103258485 555346352 /nfs/dbraw/zinc/34/63/52/555346352.db2.gz RTWVTLHSRISFMU-UHFFFAOYSA-N 0 0 576.631 4.703 50 0 KJAARN O=C1C(Cl)=C(Nc2cccc(F)c2)C(=O)N1Cc1cccc(CN2C(=O)C(Cl)=C(Nc3cccc(F)c3)C2=O)c1 ZINC000103261570 555346959 /nfs/dbraw/zinc/34/69/59/555346959.db2.gz YQVIYAKNPNYHMD-UHFFFAOYSA-N 0 0 583.378 4.827 50 0 KJAARN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCOCC3)c3cc(OC)cc(OC)c3)c3ccccc32)cc1 ZINC000103267288 555347229 /nfs/dbraw/zinc/34/72/29/555347229.db2.gz RDHAMMIUVZQKEC-PMERELPUSA-N 0 0 557.691 4.686 50 0 KJAARN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCOCC3)c3cc(OC)cc(OC)c3)c3ccccc32)cc1 ZINC000103267290 555347615 /nfs/dbraw/zinc/34/76/15/555347615.db2.gz RDHAMMIUVZQKEC-SSEXGKCCSA-N 0 0 557.691 4.686 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3cccs3)nn2-c2ccc(C)cc2)[C@H](c2ccc(F)cc2)SCC1=O ZINC000103268543 555347872 /nfs/dbraw/zinc/34/78/72/555347872.db2.gz XSSVASWLEXMCCU-MHZLTWQESA-N 0 0 550.681 4.980 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3cccs3)nn2-c2ccc(C)cc2)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000103268545 555347856 /nfs/dbraw/zinc/34/78/56/555347856.db2.gz XSSVASWLEXMCCU-HHHXNRCGSA-N 0 0 550.681 4.980 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cc(OC)cc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000103268801 555348144 /nfs/dbraw/zinc/34/81/44/555348144.db2.gz VJOWVKGFZYEODM-UHFFFAOYSA-N 0 0 599.109 4.794 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cc(OC)cc(OC)c1)C(=O)c1ccco1 ZINC000103268807 555348209 /nfs/dbraw/zinc/34/82/09/555348209.db2.gz SLHNLUIAWOAHSF-UHFFFAOYSA-N 0 0 538.988 4.530 50 0 KJAARN 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COc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(OC)c(OC)c2)C(C)C)cc1 ZINC000103268960 555348472 /nfs/dbraw/zinc/34/84/72/555348472.db2.gz BVNBNRPYWDKZPP-UHFFFAOYSA-N 0 0 564.664 4.603 50 0 KJAARN COc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)Nc2nc(-c3ccc(C)cc3)cn2-c2ccc(C)cc2)c1 ZINC000103268995 555348544 /nfs/dbraw/zinc/34/85/44/555348544.db2.gz DHPCAYUBGKANAB-UHFFFAOYSA-N 0 0 567.690 4.578 50 0 KJAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1 ZINC000103269163 555348582 /nfs/dbraw/zinc/34/85/82/555348582.db2.gz AQJPJYHAGZFMQX-UHFFFAOYSA-N 0 0 564.111 4.976 50 0 KJAARN COc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(NC(=O)CN(Cc3ccco3)C(=O)C3CC3)n2)cc1 ZINC000103269181 555348438 /nfs/dbraw/zinc/34/84/38/555348438.db2.gz OBMUBOGQSIKRBP-UHFFFAOYSA-N 0 0 530.581 4.535 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(C)c2)cc1 ZINC000103269268 555348549 /nfs/dbraw/zinc/34/85/49/555348549.db2.gz ZSZNVRRMCPKIIX-UHFFFAOYSA-N 0 0 545.709 4.656 50 0 KJAARN 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COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000103392866 555376876 /nfs/dbraw/zinc/37/68/76/555376876.db2.gz NFTQAUIAWZXSFN-UHFFFAOYSA-N 0 0 548.665 4.842 50 0 KJAARN CC(=O)N1CCN(C(=O)CN(Cc2ccccc2)C(=O)c2csc(Nc3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000103393054 555377145 /nfs/dbraw/zinc/37/71/45/555377145.db2.gz JIXDBJAKVAGLDT-UHFFFAOYSA-N 0 0 546.480 4.527 50 0 KJAARN COCCNC(=O)c1cccc(Nc2c(Oc3ccc4c(c3)OCO4)cnn(-c3cccc(Cl)c3)c2=O)c1 ZINC000103393898 555378158 /nfs/dbraw/zinc/37/81/58/555378158.db2.gz PYBIESQNRJTFCG-UHFFFAOYSA-N 0 0 534.956 4.527 50 0 KJAARN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 ZINC000103394069 555378473 /nfs/dbraw/zinc/37/84/73/555378473.db2.gz JCFVCUIZOFFSDN-HKBQPEDESA-N 0 0 568.699 4.884 50 0 KJAARN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)N2CCOCC2)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1 ZINC000103394072 555378498 /nfs/dbraw/zinc/37/84/98/555378498.db2.gz JCFVCUIZOFFSDN-WJOKGBTCSA-N 0 0 568.699 4.884 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccc(F)c1)SCC(=O)N2CC(=O)NC[C@@H]1CCCO1 ZINC000103394179 555378701 /nfs/dbraw/zinc/37/87/01/555378701.db2.gz UKKABSDHNUNMLA-BKMJKUGQSA-N 0 0 554.663 4.912 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccc(F)c1)SCC(=O)N2CC(=O)NC[C@@H]1CCCO1 ZINC000103394181 555378684 /nfs/dbraw/zinc/37/86/84/555378684.db2.gz UKKABSDHNUNMLA-NVQXNPDNSA-N 0 0 554.663 4.912 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccc(F)c1)SCC(=O)N2CC(=O)NC[C@H]1CCCO1 ZINC000103394184 555378633 /nfs/dbraw/zinc/37/86/33/555378633.db2.gz UKKABSDHNUNMLA-ATIYNZHBSA-N 0 0 554.663 4.912 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccc(F)c1)SCC(=O)N2CC(=O)NC[C@H]1CCCO1 ZINC000103394189 555378661 /nfs/dbraw/zinc/37/86/61/555378661.db2.gz UKKABSDHNUNMLA-GJZUVCINSA-N 0 0 554.663 4.912 50 0 KJAARN O=C(CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H](c2ccc3c(c2)OCO3)SCC1=O)N1CCOCC1 ZINC000103394226 555378717 /nfs/dbraw/zinc/37/87/17/555378717.db2.gz IVKXLUMINUJLSI-SSEXGKCCSA-N 0 0 603.100 4.949 50 0 KJAARN O=C(CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H](c2ccc3c(c2)OCO3)SCC1=O)N1CCOCC1 ZINC000103394229 555378607 /nfs/dbraw/zinc/37/86/07/555378607.db2.gz IVKXLUMINUJLSI-PMERELPUSA-N 0 0 603.100 4.949 50 0 KJAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1 ZINC000103394497 555379050 /nfs/dbraw/zinc/37/90/50/555379050.db2.gz ROZLIYUOMPCDAC-LJAQVGFWSA-N 0 0 563.073 4.940 50 0 KJAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1 ZINC000103394500 555379030 /nfs/dbraw/zinc/37/90/30/555379030.db2.gz ROZLIYUOMPCDAC-GDLZYMKVSA-N 0 0 563.073 4.940 50 0 KJAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000103394503 555379059 /nfs/dbraw/zinc/37/90/59/555379059.db2.gz FUDUMIQMIHXLQB-VWLOTQADSA-N 0 0 560.526 4.813 50 0 KJAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000103394505 555379070 /nfs/dbraw/zinc/37/90/70/555379070.db2.gz FUDUMIQMIHXLQB-RUZDIDTESA-N 0 0 560.526 4.813 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000103394518 555378945 /nfs/dbraw/zinc/37/89/45/555378945.db2.gz YEYYYTCVZBCPKM-SANMLTNESA-N 0 0 543.083 4.754 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000103394520 555378938 /nfs/dbraw/zinc/37/89/38/555378938.db2.gz YEYYYTCVZBCPKM-AREMUKBSSA-N 0 0 543.083 4.754 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000103394556 555378951 /nfs/dbraw/zinc/37/89/51/555378951.db2.gz UCQPJSZWOCDEJS-MHZLTWQESA-N 0 0 541.067 4.508 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000103394559 555379045 /nfs/dbraw/zinc/37/90/45/555379045.db2.gz UCQPJSZWOCDEJS-HHHXNRCGSA-N 0 0 541.067 4.508 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000103394562 555379073 /nfs/dbraw/zinc/37/90/73/555379073.db2.gz ALFCHWCOGKBSKW-NDEPHWFRSA-N 0 0 567.036 4.771 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000103394565 555378974 /nfs/dbraw/zinc/37/89/74/555378974.db2.gz ALFCHWCOGKBSKW-MUUNZHRXSA-N 0 0 567.036 4.771 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000103394717 555379231 /nfs/dbraw/zinc/37/92/31/555379231.db2.gz MFFDEECKMQIIPU-VWLOTQADSA-N 0 0 555.462 4.739 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000103394719 555379235 /nfs/dbraw/zinc/37/92/35/555379235.db2.gz MFFDEECKMQIIPU-RUZDIDTESA-N 0 0 555.462 4.739 50 0 KJAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000103394864 555379648 /nfs/dbraw/zinc/37/96/48/555379648.db2.gz RJQGYTZXRXTLBV-UHFFFAOYSA-N 0 0 537.041 4.993 50 0 KJAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103394907 555379491 /nfs/dbraw/zinc/37/94/91/555379491.db2.gz XCRNOYMSZYLJFP-UHFFFAOYSA-N 0 0 543.020 4.608 50 0 KJAARN CC(C)Cn1c(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000103395208 555379896 /nfs/dbraw/zinc/37/98/96/555379896.db2.gz JKLJCMRVPJIWFQ-DEOSSOPVSA-N 0 0 566.145 4.536 50 0 KJAARN CC(C)Cn1c(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccccc2)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000103395211 555379892 /nfs/dbraw/zinc/37/98/92/555379892.db2.gz JKLJCMRVPJIWFQ-XMMPIXPASA-N 0 0 566.145 4.536 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1OC ZINC000103395313 555380137 /nfs/dbraw/zinc/38/01/37/555380137.db2.gz OOKAPCDBZPKPLM-NDEPHWFRSA-N 0 0 609.098 4.649 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1OC ZINC000103395316 555380184 /nfs/dbraw/zinc/38/01/84/555380184.db2.gz OOKAPCDBZPKPLM-MUUNZHRXSA-N 0 0 609.098 4.649 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3Cl)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103395396 555380195 /nfs/dbraw/zinc/38/01/95/555380195.db2.gz SPFXGRSCKLNJBV-PMERELPUSA-N 0 0 605.135 4.818 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3Cl)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103395401 555380146 /nfs/dbraw/zinc/38/01/46/555380146.db2.gz SPFXGRSCKLNJBV-SSEXGKCCSA-N 0 0 605.135 4.818 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccccc2F)C[C@H]1c1cccs1 ZINC000103395450 555380483 /nfs/dbraw/zinc/38/04/83/555380483.db2.gz XYYTVCJZDSODMW-VWLOTQADSA-N 0 0 555.075 4.693 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1 ZINC000103395454 555380475 /nfs/dbraw/zinc/38/04/75/555380475.db2.gz XYYTVCJZDSODMW-RUZDIDTESA-N 0 0 555.075 4.693 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3Cl)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000103395469 555380527 /nfs/dbraw/zinc/38/05/27/555380527.db2.gz OEHRLSWRKIYVSQ-LJAQVGFWSA-N 0 0 609.098 4.649 50 0 KJAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3Cl)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000103395472 555380505 /nfs/dbraw/zinc/38/05/05/555380505.db2.gz OEHRLSWRKIYVSQ-GDLZYMKVSA-N 0 0 609.098 4.649 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1 ZINC000103395590 555380535 /nfs/dbraw/zinc/38/05/35/555380535.db2.gz DPDSJJLUSXNRLP-NDEPHWFRSA-N 0 0 582.598 4.997 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1 ZINC000103395592 555380449 /nfs/dbraw/zinc/38/04/49/555380449.db2.gz DPDSJJLUSXNRLP-MUUNZHRXSA-N 0 0 582.598 4.997 50 0 KJAARN COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1Cl ZINC000103395641 555380796 /nfs/dbraw/zinc/38/07/96/555380796.db2.gz GYXVYQMWKMOTGJ-NDEPHWFRSA-N 0 0 579.072 4.640 50 0 KJAARN COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1Cl ZINC000103395644 555380737 /nfs/dbraw/zinc/38/07/37/555380737.db2.gz GYXVYQMWKMOTGJ-MUUNZHRXSA-N 0 0 579.072 4.640 50 0 KJAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000103395665 555380677 /nfs/dbraw/zinc/38/06/77/555380677.db2.gz ATIRZCMLYOCLBK-LJAQVGFWSA-N 0 0 579.072 4.640 50 0 KJAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000103395667 555380689 /nfs/dbraw/zinc/38/06/89/555380689.db2.gz ATIRZCMLYOCLBK-GDLZYMKVSA-N 0 0 579.072 4.640 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000103395714 555380789 /nfs/dbraw/zinc/38/07/89/555380789.db2.gz CCQSEUSNAARNDP-SANMLTNESA-N 0 0 543.083 4.754 50 0 KJAARN CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000103395716 555380699 /nfs/dbraw/zinc/38/06/99/555380699.db2.gz CCQSEUSNAARNDP-AREMUKBSSA-N 0 0 543.083 4.754 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1)C(=O)c1cccc(F)c1 ZINC000103395738 555380809 /nfs/dbraw/zinc/38/08/09/555380809.db2.gz OKBDPNYWBHYBIW-MHZLTWQESA-N 0 0 533.600 4.618 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1)C(=O)c1cccc(F)c1 ZINC000103395741 555380817 /nfs/dbraw/zinc/38/08/17/555380817.db2.gz OKBDPNYWBHYBIW-HHHXNRCGSA-N 0 0 533.600 4.618 50 0 KJAARN COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1Cl ZINC000103395786 555380720 /nfs/dbraw/zinc/38/07/20/555380720.db2.gz HNNHEDAKSPCGHL-NDEPHWFRSA-N 0 0 579.072 4.640 50 0 KJAARN COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1Cl ZINC000103395789 555380705 /nfs/dbraw/zinc/38/07/05/555380705.db2.gz HNNHEDAKSPCGHL-MUUNZHRXSA-N 0 0 579.072 4.640 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccc(F)c1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000103395796 555380683 /nfs/dbraw/zinc/38/06/83/555380683.db2.gz UMYSEGXXVBYNKH-NDEPHWFRSA-N 0 0 567.036 4.771 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccc(F)c1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000103395800 555380779 /nfs/dbraw/zinc/38/07/79/555380779.db2.gz UMYSEGXXVBYNKH-MUUNZHRXSA-N 0 0 567.036 4.771 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccc(Cl)c2)cc1 ZINC000103396015 555381370 /nfs/dbraw/zinc/38/13/70/555381370.db2.gz PSJRBXPXNZVLKK-AREMUKBSSA-N 0 0 569.127 4.860 50 0 KJAARN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccc(Cl)c2)cc1 ZINC000103396018 555381463 /nfs/dbraw/zinc/38/14/63/555381463.db2.gz PSJRBXPXNZVLKK-SANMLTNESA-N 0 0 569.127 4.860 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccc(C)cc3C)[C@H](c3ccccc3F)SCC2=O)CC1 ZINC000103396237 555381862 /nfs/dbraw/zinc/38/18/62/555381862.db2.gz QGJLLSBAWAVDRR-LJAQVGFWSA-N 0 0 591.753 4.786 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccc(C)cc3C)[C@@H](c3ccccc3F)SCC2=O)CC1 ZINC000103396241 555381908 /nfs/dbraw/zinc/38/19/08/555381908.db2.gz QGJLLSBAWAVDRR-GDLZYMKVSA-N 0 0 591.753 4.786 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000103396327 555382070 /nfs/dbraw/zinc/38/20/70/555382070.db2.gz KMKFIRWTMZAOBT-JOCHJYFZSA-N 0 0 540.586 4.585 50 0 KJAARN COCc1nc(-c2ccccc2)nc(N2CCN(C(=O)[C@H]3CCOC3)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000103396330 555382110 /nfs/dbraw/zinc/38/21/10/555382110.db2.gz KMKFIRWTMZAOBT-QFIPXVFZSA-N 0 0 540.586 4.585 50 0 KJAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1 ZINC000103397326 555383272 /nfs/dbraw/zinc/38/32/72/555383272.db2.gz TXXDGKDUMLPTTL-NDEPHWFRSA-N 0 0 544.721 4.826 50 0 KJAARN Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1 ZINC000103397328 555383362 /nfs/dbraw/zinc/38/33/62/555383362.db2.gz TXXDGKDUMLPTTL-MUUNZHRXSA-N 0 0 544.721 4.826 50 0 KJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000103397363 555383321 /nfs/dbraw/zinc/38/33/21/555383321.db2.gz PJEQVJWDXAGWMZ-VWLOTQADSA-N 0 0 630.689 4.936 50 0 KJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000103397366 555383297 /nfs/dbraw/zinc/38/32/97/555383297.db2.gz PJEQVJWDXAGWMZ-RUZDIDTESA-N 0 0 630.689 4.936 50 0 KJAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)cc1 ZINC000103397399 555383277 /nfs/dbraw/zinc/38/32/77/555383277.db2.gz XKDOHLZILODSGV-HKBQPEDESA-N 0 0 556.682 4.903 50 0 KJAARN Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)cc1 ZINC000103397404 555383326 /nfs/dbraw/zinc/38/33/26/555383326.db2.gz XKDOHLZILODSGV-WJOKGBTCSA-N 0 0 556.682 4.903 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000103398007 555384249 /nfs/dbraw/zinc/38/42/49/555384249.db2.gz NWNLQDIISQDQKX-NDEPHWFRSA-N 0 0 560.701 4.637 50 0 KJAARN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000103398010 555384334 /nfs/dbraw/zinc/38/43/34/555384334.db2.gz NWNLQDIISQDQKX-MUUNZHRXSA-N 0 0 560.701 4.637 50 0 KJAARN CC(=O)N1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2csc(Nc3cc(Cl)ccc3C)n2)CC1 ZINC000103398226 555384694 /nfs/dbraw/zinc/38/46/94/555384694.db2.gz SJHQYQPVURHRRR-UHFFFAOYSA-N 0 0 540.089 4.572 50 0 KJAARN O=C1[C@@H](Cc2ccccc2)NC2(CCN(C(=S)Nc3cccc(Cl)c3)CC2)N1Cc1ccc2c(c1)OCO2 ZINC000103398928 555385227 /nfs/dbraw/zinc/38/52/27/555385227.db2.gz CRPKMGHOLSCSTM-XMMPIXPASA-N 0 0 549.096 4.801 50 0 KJAARN O=C1[C@H](Cc2ccccc2)NC2(CCN(C(=S)Nc3cccc(Cl)c3)CC2)N1Cc1ccc2c(c1)OCO2 ZINC000103398931 555385305 /nfs/dbraw/zinc/38/53/05/555385305.db2.gz CRPKMGHOLSCSTM-DEOSSOPVSA-N 0 0 549.096 4.801 50 0 KJAARN O=C(CN(Cc1ccc(F)cc1)C(=O)c1cccs1)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000103398943 555385272 /nfs/dbraw/zinc/38/52/72/555385272.db2.gz FXHCNVOILAGFHI-UHFFFAOYSA-N 0 0 529.641 4.726 50 0 KJAARN COc1ccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccccc4)nn3)CC2)Cc2ccc(F)cc2)cc1 ZINC000103398972 555385601 /nfs/dbraw/zinc/38/56/01/555385601.db2.gz VUANYJXXKPHYKU-UHFFFAOYSA-N 0 0 553.638 4.673 50 0 KJAARN O=C(CN(Cc1ccc(F)cc1)C(=O)c1ccccc1F)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000103399011 555385490 /nfs/dbraw/zinc/38/54/90/555385490.db2.gz ZRGDEDGFTCBNIF-UHFFFAOYSA-N 0 0 541.602 4.803 50 0 KJAARN O=C(CN(Cc1ccc(F)cc1)C(=O)c1cccc(F)c1)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000103399030 555385483 /nfs/dbraw/zinc/38/54/83/555385483.db2.gz VPQSXCZAURGSSG-UHFFFAOYSA-N 0 0 541.602 4.803 50 0 KJAARN O=C(CN(Cc1ccc(F)cc1)C(=O)c1ccc(F)cc1)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000103399039 555385514 /nfs/dbraw/zinc/38/55/14/555385514.db2.gz VFAJCKSHGMXFBJ-UHFFFAOYSA-N 0 0 541.602 4.803 50 0 KJAARN COc1cccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccccc4)nn3)CC2)Cc2ccc(F)cc2)c1 ZINC000103399054 555385450 /nfs/dbraw/zinc/38/54/50/555385450.db2.gz UOMQKDPLFCVMAH-UHFFFAOYSA-N 0 0 553.638 4.673 50 0 KJAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)c4cccs4)CC3)nn2)cc1 ZINC000103399154 555385568 /nfs/dbraw/zinc/38/55/68/555385568.db2.gz SQGCWSJWTYKFDS-UHFFFAOYSA-N 0 0 529.641 4.644 50 0 KJAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccc(F)cc2)cc1 ZINC000103399991 555386030 /nfs/dbraw/zinc/38/60/30/555386030.db2.gz NAIPJVSZJMWZMO-HKBQPEDESA-N 0 0 572.681 4.603 50 0 KJAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000103399993 555386049 /nfs/dbraw/zinc/38/60/49/555386049.db2.gz NAIPJVSZJMWZMO-WJOKGBTCSA-N 0 0 572.681 4.603 50 0 KJAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1cccs1 ZINC000103399999 555386119 /nfs/dbraw/zinc/38/61/19/555386119.db2.gz NLDYGPPXONRONJ-MHZLTWQESA-N 0 0 560.720 4.526 50 0 KJAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1cccs1 ZINC000103400002 555386066 /nfs/dbraw/zinc/38/60/66/555386066.db2.gz NLDYGPPXONRONJ-HHHXNRCGSA-N 0 0 560.720 4.526 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3F)[C@H](c3ccc(F)cc3)C2)cc1C ZINC000103400130 555386428 /nfs/dbraw/zinc/38/64/28/555386428.db2.gz WUOHGBHRBHCYGG-PMERELPUSA-N 0 0 560.645 4.734 50 0 KJAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3F)[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000103400134 555386401 /nfs/dbraw/zinc/38/64/01/555386401.db2.gz WUOHGBHRBHCYGG-SSEXGKCCSA-N 0 0 560.645 4.734 50 0 KJAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)CC(C)(C)C ZINC000103400171 555386639 /nfs/dbraw/zinc/38/66/39/555386639.db2.gz NVUFUWXBINRXHS-NDEPHWFRSA-N 0 0 548.728 4.587 50 0 KJAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)CC(C)(C)C ZINC000103400175 555386631 /nfs/dbraw/zinc/38/66/31/555386631.db2.gz NVUFUWXBINRXHS-MUUNZHRXSA-N 0 0 548.728 4.587 50 0 KJAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1F ZINC000103400199 555386672 /nfs/dbraw/zinc/38/66/72/555386672.db2.gz RMZBGDXXQHUDRY-PMERELPUSA-N 0 0 572.681 4.603 50 0 KJAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1F ZINC000103400200 555386680 /nfs/dbraw/zinc/38/66/80/555386680.db2.gz RMZBGDXXQHUDRY-SSEXGKCCSA-N 0 0 572.681 4.603 50 0 KJAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1cccc(F)c1 ZINC000103400223 555386657 /nfs/dbraw/zinc/38/66/57/555386657.db2.gz QWOKFMMMYLLALJ-PMERELPUSA-N 0 0 572.681 4.603 50 0 KJAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1cccc(F)c1 ZINC000103400225 555386635 /nfs/dbraw/zinc/38/66/35/555386635.db2.gz QWOKFMMMYLLALJ-SSEXGKCCSA-N 0 0 572.681 4.603 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000103400275 555386655 /nfs/dbraw/zinc/38/66/55/555386655.db2.gz SEYLHCIKYJMDTN-QFIPXVFZSA-N 0 0 543.114 4.615 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000103400277 555386690 /nfs/dbraw/zinc/38/66/90/555386690.db2.gz SEYLHCIKYJMDTN-JOCHJYFZSA-N 0 0 543.114 4.615 50 0 KJAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000103400374 555386921 /nfs/dbraw/zinc/38/69/21/555386921.db2.gz CEZNNAQZFLUWOZ-UHFFFAOYSA-N 0 0 538.574 4.950 50 0 KJAARN COCc1nnc(SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)n1-c1ccc(F)cc1 ZINC000103401274 555386930 /nfs/dbraw/zinc/38/69/30/555386930.db2.gz ZTAZDOHPPDPKNY-UHFFFAOYSA-N 0 0 535.620 4.947 50 0 KJAARN CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C2CC2)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000103401406 555386948 /nfs/dbraw/zinc/38/69/48/555386948.db2.gz GZINMGNQJIIHLJ-UHFFFAOYSA-N 0 0 546.649 4.738 50 0 KJAARN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000103401772 555387255 /nfs/dbraw/zinc/38/72/55/555387255.db2.gz DSTLZFXSJWNDPB-HKBQPEDESA-N 0 0 582.682 4.604 50 0 KJAARN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000103401774 555387298 /nfs/dbraw/zinc/38/72/98/555387298.db2.gz DSTLZFXSJWNDPB-WJOKGBTCSA-N 0 0 582.682 4.604 50 0 KJAARN COCCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000103401835 555387522 /nfs/dbraw/zinc/38/75/22/555387522.db2.gz YAENSUSEGSLDAE-HKBQPEDESA-N 0 0 584.698 4.898 50 0 KJAARN COCCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000103401839 555387531 /nfs/dbraw/zinc/38/75/31/555387531.db2.gz YAENSUSEGSLDAE-WJOKGBTCSA-N 0 0 584.698 4.898 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)c1cccc(F)c1 ZINC000103402031 555387930 /nfs/dbraw/zinc/38/79/30/555387930.db2.gz JXPJJCXFABYHJK-MHZLTWQESA-N 0 0 547.627 4.926 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)c1cccc(F)c1 ZINC000103402034 555387904 /nfs/dbraw/zinc/38/79/04/555387904.db2.gz JXPJJCXFABYHJK-HHHXNRCGSA-N 0 0 547.627 4.926 50 0 KJAARN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(CCN1CCOCC1)C(=O)CC(C)(C)C ZINC000103402076 555387893 /nfs/dbraw/zinc/38/78/93/555387893.db2.gz KZJAXTLJVMKPGH-SANMLTNESA-N 0 0 555.119 4.623 50 0 KJAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(CCN1CCOCC1)C(=O)CC(C)(C)C ZINC000103402079 555387913 /nfs/dbraw/zinc/38/79/13/555387913.db2.gz KZJAXTLJVMKPGH-AREMUKBSSA-N 0 0 555.119 4.623 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)c1cccs1 ZINC000103402119 555387932 /nfs/dbraw/zinc/38/79/32/555387932.db2.gz SBZHASCSAJLHEX-DEOSSOPVSA-N 0 0 535.666 4.849 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)c1cccs1 ZINC000103402121 555387879 /nfs/dbraw/zinc/38/78/79/555387879.db2.gz SBZHASCSAJLHEX-XMMPIXPASA-N 0 0 535.666 4.849 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1 ZINC000103402144 555387887 /nfs/dbraw/zinc/38/78/87/555387887.db2.gz QLNOODQBJURRGZ-NDEPHWFRSA-N 0 0 559.663 4.796 50 0 KJAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1 ZINC000103402146 555387862 /nfs/dbraw/zinc/38/78/62/555387862.db2.gz QLNOODQBJURRGZ-MUUNZHRXSA-N 0 0 559.663 4.796 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)cc1OC ZINC000103402155 555388085 /nfs/dbraw/zinc/38/80/85/555388085.db2.gz JSCRROSAJHXTJX-PMERELPUSA-N 0 0 602.707 4.612 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)cc1OC ZINC000103402158 555388144 /nfs/dbraw/zinc/38/81/44/555388144.db2.gz JSCRROSAJHXTJX-SSEXGKCCSA-N 0 0 602.707 4.612 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccc(C(F)(F)F)cc3)[C@H](c3ccccc3OC)C2)c1 ZINC000103402194 555388159 /nfs/dbraw/zinc/38/81/59/555388159.db2.gz INNFTYMLFFBIAY-LJAQVGFWSA-N 0 0 624.660 4.875 50 0 KJAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccc(C(F)(F)F)cc3)[C@@H](c3ccccc3OC)C2)c1 ZINC000103402197 555388072 /nfs/dbraw/zinc/38/80/72/555388072.db2.gz INNFTYMLFFBIAY-GDLZYMKVSA-N 0 0 624.660 4.875 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1 ZINC000103402249 555388122 /nfs/dbraw/zinc/38/81/22/555388122.db2.gz XODGAKAWVHIBGR-NDEPHWFRSA-N 0 0 549.046 4.631 50 0 KJAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1 ZINC000103402252 555388047 /nfs/dbraw/zinc/38/80/47/555388047.db2.gz XODGAKAWVHIBGR-MUUNZHRXSA-N 0 0 549.046 4.631 50 0 KJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CN(C(=O)c4ccccc4Cl)C(C)C)cc3)CC2)cc1 ZINC000103402404 555388436 /nfs/dbraw/zinc/38/84/36/555388436.db2.gz JHUAHMYYBOMKNQ-UHFFFAOYSA-N 0 0 549.071 4.800 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccc(Cl)c1)SCC(=O)N2CC(=O)N1CCOCC1 ZINC000103402597 555388720 /nfs/dbraw/zinc/38/87/20/555388720.db2.gz BIQSCRBVOXUIKT-RUZDIDTESA-N 0 0 557.091 4.990 50 0 KJAARN CC(C)(C)c1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccc(Cl)c1)SCC(=O)N2CC(=O)N1CCOCC1 ZINC000103402601 555388623 /nfs/dbraw/zinc/38/86/23/555388623.db2.gz BIQSCRBVOXUIKT-VWLOTQADSA-N 0 0 557.091 4.990 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccc(F)cc3)[C@H](c3cccc(Cl)c3)SCC2=O)CC1 ZINC000103402633 555388710 /nfs/dbraw/zinc/38/87/10/555388710.db2.gz KMAJGUBBASJASH-MHZLTWQESA-N 0 0 598.144 4.822 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3-c3ccc(F)cc3)[C@@H](c3cccc(Cl)c3)SCC2=O)CC1 ZINC000103402636 555388670 /nfs/dbraw/zinc/38/86/70/555388670.db2.gz KMAJGUBBASJASH-HHHXNRCGSA-N 0 0 598.144 4.822 50 0 KJAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)c1ccccc1Cl ZINC000103402661 555388615 /nfs/dbraw/zinc/38/86/15/555388615.db2.gz XPADGTHWKRAGOL-UHFFFAOYSA-N 0 0 532.859 4.915 50 0 KJAARN COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000103403123 1066470880 /nfs/dbraw/zinc/47/08/80/1066470880.db2.gz PVBVLRSSRJNQGK-GQBVICOWSA-N 0 0 525.399 4.784 50 0 KJAARN COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000103403126 1066470805 /nfs/dbraw/zinc/47/08/05/1066470805.db2.gz PVBVLRSSRJNQGK-WWOVWOHCSA-N 0 0 525.399 4.784 50 0 KJAARN O=C(NCc1ccc(F)cc1)c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCN(C(=O)C2CC2)CC1 ZINC000103403296 555389242 /nfs/dbraw/zinc/38/92/42/555389242.db2.gz ZKHWDUYDHMSDIQ-UHFFFAOYSA-N 0 0 535.019 4.720 50 0 KJAARN CCc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 ZINC000103403350 555389428 /nfs/dbraw/zinc/38/94/28/555389428.db2.gz UBXYCNYBMOZNNW-UHFFFAOYSA-N 0 0 551.160 4.699 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccs2)c(C)c1 ZINC000103403617 555389634 /nfs/dbraw/zinc/38/96/34/555389634.db2.gz YJXQSCURDHRSEO-VWLOTQADSA-N 0 0 538.739 4.876 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccs2)c(C)c1 ZINC000103403619 555389734 /nfs/dbraw/zinc/38/97/34/555389734.db2.gz YJXQSCURDHRSEO-RUZDIDTESA-N 0 0 538.739 4.876 50 0 KJAARN 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COc1ccc([C@H]2SCC(=O)N(CC(=O)NC3CC3)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)cc1OC ZINC000103427612 555409003 /nfs/dbraw/zinc/40/90/03/555409003.db2.gz CPYIWARWWFRDDY-HHHXNRCGSA-N 0 0 548.709 4.943 50 0 KJAARN COc1ccc([C@@H]2SCC(=O)N(CC(=O)NC[C@@H]3CCCO3)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)cc1OC ZINC000103427661 555409320 /nfs/dbraw/zinc/40/93/20/555409320.db2.gz KMHJFPGOVBGZNE-IADCTJSHSA-N 0 0 592.762 4.960 50 0 KJAARN COc1ccc([C@H]2SCC(=O)N(CC(=O)NC[C@@H]3CCCO3)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)cc1OC ZINC000103427663 555409284 /nfs/dbraw/zinc/40/92/84/555409284.db2.gz KMHJFPGOVBGZNE-MUAVYFROSA-N 0 0 592.762 4.960 50 0 KJAARN COc1ccc([C@@H]2SCC(=O)N(CC(=O)NC[C@H]3CCCO3)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)cc1OC ZINC000103427665 555409308 /nfs/dbraw/zinc/40/93/08/555409308.db2.gz KMHJFPGOVBGZNE-BTYSJIOQSA-N 0 0 592.762 4.960 50 0 KJAARN COc1ccc([C@H]2SCC(=O)N(CC(=O)NC[C@H]3CCCO3)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)cc1OC ZINC000103427667 555409275 /nfs/dbraw/zinc/40/92/75/555409275.db2.gz KMHJFPGOVBGZNE-RNWIMVQKSA-N 0 0 592.762 4.960 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@H]3c2cccc(F)c2)cc1 ZINC000103427669 555409313 /nfs/dbraw/zinc/40/93/13/555409313.db2.gz PSZLCSUPFIJRJP-SANMLTNESA-N 0 0 536.673 4.645 50 0 KJAARN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCOCC2)C(=O)CS[C@@H]3c2cccc(F)c2)cc1 ZINC000103427671 555409286 /nfs/dbraw/zinc/40/92/86/555409286.db2.gz PSZLCSUPFIJRJP-AREMUKBSSA-N 0 0 536.673 4.645 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@H](c2ccc(F)cc2)SCC1=O ZINC000103427676 555409268 /nfs/dbraw/zinc/40/92/68/555409268.db2.gz YMWDZFMRKSEQOI-SANMLTNESA-N 0 0 538.689 4.939 50 0 KJAARN COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(C)c2)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000103427678 555409277 /nfs/dbraw/zinc/40/92/77/555409277.db2.gz YMWDZFMRKSEQOI-AREMUKBSSA-N 0 0 538.689 4.939 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000103427696 555409338 /nfs/dbraw/zinc/40/93/38/555409338.db2.gz MHRPVIVALPASBN-PMERELPUSA-N 0 0 590.677 4.627 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2ccc(OC)c(OC)c2)SCC1=O ZINC000103427698 555409303 /nfs/dbraw/zinc/40/93/03/555409303.db2.gz MHRPVIVALPASBN-SSEXGKCCSA-N 0 0 590.677 4.627 50 0 KJAARN Cc1cccc(Cn2c(C(=O)NCCN3CCOCC3)cc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc32)c1 ZINC000103428069 555409957 /nfs/dbraw/zinc/40/99/57/555409957.db2.gz COOUEDCRTACCEM-UHFFFAOYSA-N 0 0 567.111 4.514 50 0 KJAARN Cc1cccc(Cn2c(C(=O)NCCN3CCOCC3)cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc32)c1 ZINC000103428994 555411692 /nfs/dbraw/zinc/41/16/92/555411692.db2.gz RROPSQKGWSJMSX-UHFFFAOYSA-N 0 0 561.082 4.731 50 0 KJAARN COC(=O)c1sccc1S(=O)(=O)NCCNc1nc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000103429953 555412632 /nfs/dbraw/zinc/41/26/32/555412632.db2.gz QBILLSZQMBHZPK-UHFFFAOYSA-N 0 0 537.450 4.842 50 0 KJAARN COc1cccc(C(=O)N2CCN(c3nc(Cc4ccc(C)cc4)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000103430476 555412564 /nfs/dbraw/zinc/41/25/64/555412564.db2.gz BEHMXXGCDIHUPQ-UHFFFAOYSA-N 0 0 532.648 4.994 50 0 KJAARN O=C(CCN(CCc1ccccc1)c1nc(-c2cccc(Br)c2)nc2ccccc21)NCCN1CCOCC1 ZINC000103430670 555412843 /nfs/dbraw/zinc/41/28/43/555412843.db2.gz ZMMNCQGHSQHHNA-UHFFFAOYSA-N 0 0 588.550 4.947 50 0 KJAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc(CCC(C)C)nc4c3cnn4-c3cccc(Cl)c3)CC2)cc1 ZINC000103431188 555413238 /nfs/dbraw/zinc/41/32/38/555413238.db2.gz JYLUOSGEHYPPBZ-UHFFFAOYSA-N 0 0 539.105 4.877 50 0 KJAARN CCOC(=O)CCC(=O)N1CCCN(c2nc(CC3CCCCC3)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000103431274 555413221 /nfs/dbraw/zinc/41/32/21/555413221.db2.gz YHVTZBCROPLVFW-UHFFFAOYSA-N 0 0 550.679 4.768 50 0 KJAARN CCOC(=O)CCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000103431709 555413568 /nfs/dbraw/zinc/41/35/68/555413568.db2.gz FUCIRFCOORIZAL-YTTGMZPUSA-N 0 0 642.797 4.845 50 0 KJAARN CCOC(=O)CCC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000103431711 555413540 /nfs/dbraw/zinc/41/35/40/555413540.db2.gz FUCIRFCOORIZAL-JGCGQSQUSA-N 0 0 642.797 4.845 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H](c2cc(OC)ccc2OC)SCC1=O ZINC000103432299 555414143 /nfs/dbraw/zinc/41/41/43/555414143.db2.gz VGEFAQKZKULYCJ-HKBQPEDESA-N 0 0 586.714 4.797 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H](c2cc(OC)ccc2OC)SCC1=O ZINC000103432302 555414158 /nfs/dbraw/zinc/41/41/58/555414158.db2.gz VGEFAQKZKULYCJ-WJOKGBTCSA-N 0 0 586.714 4.797 50 0 KJAARN Cc1ccccc1-n1nc(-c2ccccc2)c2c1N(CC(=O)N1CCOCC1)C(=O)CS[C@H]2c1cccs1 ZINC000103432352 555414181 /nfs/dbraw/zinc/41/41/81/555414181.db2.gz DCGIIGZWQGFDHJ-NDEPHWFRSA-N 0 0 544.702 4.937 50 0 KJAARN Cc1ccccc1-n1nc(-c2ccccc2)c2c1N(CC(=O)N1CCOCC1)C(=O)CS[C@@H]2c1cccs1 ZINC000103432354 555414147 /nfs/dbraw/zinc/41/41/47/555414147.db2.gz DCGIIGZWQGFDHJ-MUUNZHRXSA-N 0 0 544.702 4.937 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3cccc(C)c3)[C@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000103432434 555414541 /nfs/dbraw/zinc/41/45/41/555414541.db2.gz TTZMDZMCAPIUQR-YTTGMZPUSA-N 0 0 615.706 4.986 50 0 KJAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3-c3cccc(C)c3)[C@@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000103432437 555414489 /nfs/dbraw/zinc/41/44/89/555414489.db2.gz TTZMDZMCAPIUQR-JGCGQSQUSA-N 0 0 615.706 4.986 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2C)[C@H](c2cccs2)SCC1=O ZINC000103432470 555414792 /nfs/dbraw/zinc/41/47/92/555414792.db2.gz DZFZFGAGZRXJRD-MHZLTWQESA-N 0 0 532.691 4.841 50 0 KJAARN COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2C)[C@@H](c2cccs2)SCC1=O ZINC000103432472 555414812 /nfs/dbraw/zinc/41/48/12/555414812.db2.gz DZFZFGAGZRXJRD-HHHXNRCGSA-N 0 0 532.691 4.841 50 0 KJAARN O=C(CCN(CCc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCCN1CCOCC1 ZINC000103433099 555415218 /nfs/dbraw/zinc/41/52/18/555415218.db2.gz DJGMNKQIFOXXEX-UHFFFAOYSA-N 0 0 544.099 4.838 50 0 KJAARN O=S(=O)(Oc1ccc(-c2nc3ccccc3o2)cc1CN1CCOCC1)c1ccccc1OC(F)(F)F ZINC000103433552 555415833 /nfs/dbraw/zinc/41/58/33/555415833.db2.gz HGOMNPPLLWEAIH-UHFFFAOYSA-N 0 0 534.512 4.993 50 0 KJAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccn3)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000103434219 555416809 /nfs/dbraw/zinc/41/68/09/555416809.db2.gz ZXXHXWIDAAXMAM-UHFFFAOYSA-N 0 0 538.479 4.750 50 0 KJAARN CC(=O)N1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3cccc(Oc4ccccc4)c3)n2)CC1 ZINC000103434422 555416778 /nfs/dbraw/zinc/41/67/78/555416778.db2.gz DOXXXDMBSOGMBW-UHFFFAOYSA-N 0 0 568.630 4.702 50 0 KJAARN COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(Sc2ccc(NC(=O)c3ccc(OC)cc3)cc2)C1=O ZINC000103435413 555418061 /nfs/dbraw/zinc/41/80/61/555418061.db2.gz GELRQEMCTWEUTI-UHFFFAOYSA-N 0 0 577.659 4.786 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000103435693 555418051 /nfs/dbraw/zinc/41/80/51/555418051.db2.gz ZWHXADXFTAQMGB-UHFFFAOYSA-N 0 0 620.555 4.729 50 0 KJAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000103436909 555418255 /nfs/dbraw/zinc/41/82/55/555418255.db2.gz DHJGKHQVPQVOBA-UHFFFAOYSA-N 0 0 537.028 4.739 50 0 KJAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103436992 555418596 /nfs/dbraw/zinc/41/85/96/555418596.db2.gz SCDBVEXWIZAXHB-SANMLTNESA-N 0 0 537.028 4.739 50 0 KJAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103436994 555418583 /nfs/dbraw/zinc/41/85/83/555418583.db2.gz SCDBVEXWIZAXHB-AREMUKBSSA-N 0 0 537.028 4.739 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103438517 555418805 /nfs/dbraw/zinc/41/88/05/555418805.db2.gz YDDGGRCXYDFYCY-NRFANRHFSA-N 0 0 559.566 4.962 50 0 KJAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103438520 555418748 /nfs/dbraw/zinc/41/87/48/555418748.db2.gz YDDGGRCXYDFYCY-OAQYLSRUSA-N 0 0 559.566 4.962 50 0 KJAARN COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(Sc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)C1=O ZINC000103439405 555419140 /nfs/dbraw/zinc/41/91/40/555419140.db2.gz DNNJKLSSFZHWKO-UHFFFAOYSA-N 0 0 618.133 4.979 50 0 KJAARN COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(Sc2cccc(NC(=O)c3ccc(OC)cc3OC)c2)C1=O ZINC000103439434 555419428 /nfs/dbraw/zinc/41/94/28/555419428.db2.gz YHMOLUYVSOHEJB-UHFFFAOYSA-N 0 0 607.685 4.794 50 0 KJAARN CCc1cc(Br)ccc1S(=O)(=O)N1CCN(Cc2cc(=O)c(OCc3cc(C)cc(C)c3)co2)CC1 ZINC000103439553 555419443 /nfs/dbraw/zinc/41/94/43/555419443.db2.gz LVCZDHXIWSEAEL-UHFFFAOYSA-N 0 0 575.525 4.667 50 0 KJAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)c2ccc(Cl)cc2)cc1 ZINC000103444211 555420149 /nfs/dbraw/zinc/42/01/49/555420149.db2.gz CUEGBAIUPZPYDO-SANMLTNESA-N 0 0 561.075 4.839 50 0 KJAARN COC(=O)c1ccc(CO[C@H](CN2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)c2ccc(Cl)cc2)cc1 ZINC000103444213 555420181 /nfs/dbraw/zinc/42/01/81/555420181.db2.gz CUEGBAIUPZPYDO-AREMUKBSSA-N 0 0 561.075 4.839 50 0 KJAARN O=[N+]([O-])/C(I)=C(\I)Sc1c(F)c(F)c(F)c(F)c1F ZINC000103447338 555420469 /nfs/dbraw/zinc/42/04/69/555420469.db2.gz PCJPQWYSUVNTJZ-BQYQJAHWSA-N 0 0 522.958 4.748 50 0 KJAARN CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000103466409 555420763 /nfs/dbraw/zinc/42/07/63/555420763.db2.gz XRWJLJNUWHFRBB-AYSDUGFZSA-N 0 0 599.728 4.877 50 0 KJAARN CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000103466411 555420767 /nfs/dbraw/zinc/42/07/67/555420767.db2.gz XRWJLJNUWHFRBB-NKOFKNPBSA-N 0 0 599.728 4.877 50 0 KJAARN CCN1CCN(C(=O)c2cccc(CSc3nnc(Cc4ccccc4)n3-c3ccc(OC)cc3)c2)CC1 ZINC000103484612 555421105 /nfs/dbraw/zinc/42/11/05/555421105.db2.gz LIMHVHUURDOBCG-UHFFFAOYSA-N 0 0 527.694 4.937 50 0 KJAARN Cc1nsc2ncc(C(=O)N3CCCC3)c(N3CCC(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)c12 ZINC000103495568 555421208 /nfs/dbraw/zinc/42/12/08/555421208.db2.gz CKEIAJMAPVMXLO-UHFFFAOYSA-N 0 0 533.576 4.989 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000103510610 555421930 /nfs/dbraw/zinc/42/19/30/555421930.db2.gz XRICBSHPLVJRLD-DFXJHMEVSA-N 0 0 547.380 4.870 50 0 KJAARN COc1ccc(C[C@@]2(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103512346 555422288 /nfs/dbraw/zinc/42/22/88/555422288.db2.gz RPOCLRMLCJYPNM-PLTNMMHCSA-N 0 0 543.620 4.984 50 0 KJAARN Cc1c2ccc(OCC(=O)NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000103520500 555425739 /nfs/dbraw/zinc/42/57/39/555425739.db2.gz AFULRSYXYZZCLS-OOXUFLSTSA-N 0 0 574.718 4.901 50 0 biogenic KJAARN Cc1c2ccc(OCC(=O)NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000103520504 555425641 /nfs/dbraw/zinc/42/56/41/555425641.db2.gz AFULRSYXYZZCLS-SFRLIIPVSA-N 0 0 574.718 4.901 50 0 biogenic KJAARN Cc1c2ccc(OCC(=O)NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000103520507 555425840 /nfs/dbraw/zinc/42/58/40/555425840.db2.gz AFULRSYXYZZCLS-UVMFRMCBSA-N 0 0 574.718 4.901 50 0 biogenic KJAARN COc1ccc(C(O)=C2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCCN3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530972 555431159 /nfs/dbraw/zinc/43/11/59/555431159.db2.gz XEXABDNAKDLJKS-UEQYQIMASA-N 0 0 558.034 4.680 50 0 KJAARN COc1ccc(C(O)=C2[C@]3(C(=O)Nc4c3cc(C)cc4Cl)N3CCC[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000103530978 555431122 /nfs/dbraw/zinc/43/11/22/555431122.db2.gz XEXABDNAKDLJKS-XQQDTOEMSA-N 0 0 558.034 4.680 50 0 KJAARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000103533033 555433319 /nfs/dbraw/zinc/43/33/19/555433319.db2.gz UUIQUYXEUKJHPT-NDBXHCKUSA-N 0 0 529.390 4.856 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000103533635 555434081 /nfs/dbraw/zinc/43/40/81/555434081.db2.gz DENQBTIWMONPDN-DFXJHMEVSA-N 0 0 547.380 4.870 50 0 KJAARN COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103534203 555434420 /nfs/dbraw/zinc/43/44/20/555434420.db2.gz QOGNHDGKUZYEBQ-HOSLJWMQSA-N 0 0 528.992 4.919 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000103542677 555439084 /nfs/dbraw/zinc/43/90/84/555439084.db2.gz IJVNYPCZZSFRME-CRJMXQGDSA-N 0 0 571.427 4.933 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000103542685 555439421 /nfs/dbraw/zinc/43/94/21/555439421.db2.gz IJVNYPCZZSFRME-HDLKCZAISA-N 0 0 571.427 4.933 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000103542694 555439307 /nfs/dbraw/zinc/43/93/07/555439307.db2.gz IJVNYPCZZSFRME-WSEBHVOGSA-N 0 0 571.427 4.933 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000103542700 555439394 /nfs/dbraw/zinc/43/93/94/555439394.db2.gz IJVNYPCZZSFRME-ZJHRHMSFSA-N 0 0 571.427 4.933 50 0 KJAARN COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC2(CCCCC2)OC3=O)cc1OC ZINC000103543064 555439333 /nfs/dbraw/zinc/43/93/33/555439333.db2.gz VTNNDIVEQRISJU-UODIDJSMSA-N 0 0 576.646 4.649 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC2(CCCCC2)OC3=O)cc1OC ZINC000103543068 555439454 /nfs/dbraw/zinc/43/94/54/555439454.db2.gz VTNNDIVEQRISJU-TWJOJJKGSA-N 0 0 576.646 4.649 50 0 KJAARN O=C(COc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O)NCCCCCNC(=O)OCc1ccccc1 ZINC000103544662 555440093 /nfs/dbraw/zinc/44/00/93/555440093.db2.gz KCJCBDVEADIBDB-UHFFFAOYSA-N 0 0 572.614 4.823 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000103549974 555443106 /nfs/dbraw/zinc/44/31/06/555443106.db2.gz QVDHWZSUQLCLBM-MUUNZHRXSA-N 0 0 569.017 4.682 50 0 KJAARN CN(C)c1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000103550004 555443123 /nfs/dbraw/zinc/44/31/23/555443123.db2.gz DCCOXDXAJAJVOS-GDLZYMKVSA-N 0 0 582.060 4.739 50 0 KJAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103553911 555445129 /nfs/dbraw/zinc/44/51/29/555445129.db2.gz QTOWHENKLSQGHZ-IMQOFUTHSA-N 0 0 584.584 4.642 50 0 KJAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000103558392 555447239 /nfs/dbraw/zinc/44/72/39/555447239.db2.gz IABRKLNXXIXPKZ-JMSBNOGBSA-N 0 0 598.611 4.684 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000103579886 555451215 /nfs/dbraw/zinc/45/12/15/555451215.db2.gz NSEDWHZEQABDRP-NSOVKSMOSA-N 0 0 503.618 4.786 50 0 KJAARN O=C(CSc1nnc(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1-c1ccccc1)NCc1ccco1 ZINC000103588028 555452150 /nfs/dbraw/zinc/45/21/50/555452150.db2.gz ARUJIXLDSWYZLG-UHFFFAOYSA-N 0 0 564.718 4.738 50 0 KJAARN Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000103588091 555452115 /nfs/dbraw/zinc/45/21/15/555452115.db2.gz NCDNPTLQPBCGTL-BHIFYINESA-N 0 0 524.802 4.671 50 0 KJAARN Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000103588099 555452211 /nfs/dbraw/zinc/45/22/11/555452211.db2.gz NCDNPTLQPBCGTL-FDFHNCONSA-N 0 0 524.802 4.671 50 0 KJAARN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1 ZINC000103588103 555452182 /nfs/dbraw/zinc/45/21/82/555452182.db2.gz URCPKWWDDFCQLJ-BHIFYINESA-N 0 0 524.802 4.671 50 0 KJAARN O=C(c1cccc(Br)c1)N1N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21 ZINC000103588117 555452121 /nfs/dbraw/zinc/45/21/21/555452121.db2.gz AXAXRNDBDQAWDN-NJDAHSKKSA-N 0 0 528.765 4.502 50 0 KJAARN O=C(c1cccc(Br)c1)N1N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21 ZINC000103588121 555452188 /nfs/dbraw/zinc/45/21/88/555452188.db2.gz AXAXRNDBDQAWDN-QHAWAJNXSA-N 0 0 528.765 4.502 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000103589322 555452423 /nfs/dbraw/zinc/45/24/23/555452423.db2.gz URYGIPSGHAFQIB-WJOKGBTCSA-N 0 0 597.603 4.725 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000103589327 555452447 /nfs/dbraw/zinc/45/24/47/555452447.db2.gz URYGIPSGHAFQIB-HKBQPEDESA-N 0 0 597.603 4.725 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC=CCC1 ZINC000103590286 555452409 /nfs/dbraw/zinc/45/24/09/555452409.db2.gz PACWXONONFVQNP-UKJJDJLKSA-N 0 0 582.680 4.799 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC=CCC1 ZINC000103590288 555452429 /nfs/dbraw/zinc/45/24/29/555452429.db2.gz PACWXONONFVQNP-ZOYWYXQUSA-N 0 0 582.680 4.799 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC=CCC1 ZINC000103590291 555452450 /nfs/dbraw/zinc/45/24/50/555452450.db2.gz PACWXONONFVQNP-GOXGLGGOSA-N 0 0 582.680 4.799 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC=CCC1 ZINC000103590296 555452425 /nfs/dbraw/zinc/45/24/25/555452425.db2.gz PACWXONONFVQNP-NLGDKJDOSA-N 0 0 582.680 4.799 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000103590321 555452455 /nfs/dbraw/zinc/45/24/55/555452455.db2.gz GJSNLDGVGDRPQK-YTTGMZPUSA-N 0 0 578.648 4.816 50 0 KJAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000103590325 555452436 /nfs/dbraw/zinc/45/24/36/555452436.db2.gz GJSNLDGVGDRPQK-JGCGQSQUSA-N 0 0 578.648 4.816 50 0 KJAARN Cc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1 ZINC000103600919 555454393 /nfs/dbraw/zinc/45/43/93/555454393.db2.gz NEDFVRJIQPMVIX-GIRPNKPCSA-N 0 0 509.389 4.818 50 0 KJAARN COc1cccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1 ZINC000103600987 555454361 /nfs/dbraw/zinc/45/43/61/555454361.db2.gz NLKOOUQWISKXDO-GIRPNKPCSA-N 0 0 525.388 4.518 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000103603428 555454717 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555455889 /nfs/dbraw/zinc/45/58/89/555455889.db2.gz SCRMTDRXDRGHOZ-SANMLTNESA-N 0 0 550.656 4.829 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc(C)c3)[C@H](C)C1)[C@H]1c3ccccc3CCN1C2=O ZINC000103616674 555456730 /nfs/dbraw/zinc/45/67/30/555456730.db2.gz KVZIIHZSDPWGNK-HAQLSYKPSA-N 0 0 525.649 4.586 50 0 KJAARN C[C@H]1O[C@@H](n2cnc3c2ncnc3N)C[C@@H]1OP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C ZINC000103620169 555456666 /nfs/dbraw/zinc/45/66/66/555456666.db2.gz LUNRTVLIFYTBNX-IXDOHACOSA-N 0 0 603.704 4.854 50 0 KJAARN CCOC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)cc1 ZINC000103623175 555457016 /nfs/dbraw/zinc/45/70/16/555457016.db2.gz LHGVHQSLKOFEFH-UHFFFAOYSA-N 0 0 593.731 4.835 50 0 KJAARN CCOC(=O)C1=C[C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(O)C3=C(C(=O)c3ccc(Br)cc3)N2C=C1 ZINC000103630394 555459828 /nfs/dbraw/zinc/45/98/28/555459828.db2.gz PSEPXSCJOICYKQ-KEVKATSASA-N 0 0 571.427 4.660 50 0 KJAARN COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1OCc1ccccc1 ZINC000103652031 555460981 /nfs/dbraw/zinc/46/09/81/555460981.db2.gz FPMOGYUMRXEUTB-QTEQDKRBSA-N 0 0 522.570 4.605 50 0 KJAARN CCOC(=O)C1CCN(c2nc(-c3cc(C)cs3)ccc2C(=O)NCc2nnc(-c3ccccc3)o2)CC1 ZINC000103674586 1066375523 /nfs/dbraw/zinc/37/55/23/1066375523.db2.gz DYYQQULFMKMORL-UHFFFAOYSA-N 0 0 531.638 4.878 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(N(C[C@H](O)Cn3c4ccccc4c4ccccc43)S(C)(=O)=O)cc2)cc1 ZINC000103691462 555462830 /nfs/dbraw/zinc/46/28/30/555462830.db2.gz JGGQBFHWJPIVQP-RUZDIDTESA-N 0 0 577.728 4.755 50 0 KJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCN(Cc4ccccc4)CC2)C3=O)cc1Cl ZINC000103691541 555462814 /nfs/dbraw/zinc/46/28/14/555462814.db2.gz SBXKWCJSCBMNHI-GDLZYMKVSA-N 0 0 533.097 4.703 50 0 KJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCN(Cc4ccccc4)CC2)C3=O)cc1Cl ZINC000103691547 555462796 /nfs/dbraw/zinc/46/27/96/555462796.db2.gz SBXKWCJSCBMNHI-LJAQVGFWSA-N 0 0 533.097 4.703 50 0 KJAARN COc1c(I)cc(I)cc1/C=C1/NC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000103695996 555463611 /nfs/dbraw/zinc/46/36/11/555463611.db2.gz QVXORBQMSGCYAI-LZYBPNLTSA-N 0 0 590.224 4.783 50 0 KJAARN CCOC(=O)C1=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000103699440 555463890 /nfs/dbraw/zinc/46/38/90/555463890.db2.gz DHMBONOECZRPAQ-POQGPQTDSA-N 0 0 588.770 4.535 50 0 KJAARN CCOC(=O)C1=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000103699443 555463938 /nfs/dbraw/zinc/46/39/38/555463938.db2.gz DHMBONOECZRPAQ-FLXPQLCOSA-N 0 0 588.770 4.535 50 0 KJAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000103722651 555465017 /nfs/dbraw/zinc/46/50/17/555465017.db2.gz JFKUCQBQILVHLY-DQSJHHFOSA-N 0 0 545.727 4.618 50 0 KJAARN CCOC(=O)COc1c(I)cc(/C=C2/N=C(c3ccc(Br)c(C)c3)OC2=O)cc1OC ZINC000103731496 555465447 /nfs/dbraw/zinc/46/54/47/555465447.db2.gz DTMNBQHGPLVQAI-RQZCQDPDSA-N 0 0 600.203 4.657 50 0 KJAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(=O)/C=C\c4ccccc4)cc3)n2C)cc1 ZINC000103763476 555471890 /nfs/dbraw/zinc/47/18/90/555471890.db2.gz WZGFOYDUNJINNE-IUXPMGMMSA-N 0 0 527.606 4.651 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103790094 555479818 /nfs/dbraw/zinc/47/98/18/555479818.db2.gz YDMNCDILLBCXKH-MUPHDSPYSA-N 0 0 531.497 4.746 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103790097 555479858 /nfs/dbraw/zinc/47/98/58/555479858.db2.gz YDMNCDILLBCXKH-QFTJCQGQSA-N 0 0 531.497 4.746 50 0 KJAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNCCCCCCNC=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000103839988 571362311 /nfs/dbraw/zinc/36/23/11/571362311.db2.gz WQNYHKMHWVCVAS-KBNZVFGVSA-N 0 0 527.408 4.723 50 0 KJAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNCCCCCCNC=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000103839994 571362314 /nfs/dbraw/zinc/36/23/14/571362314.db2.gz WQNYHKMHWVCVAS-YHARCJFQSA-N 0 0 527.408 4.723 50 0 KJAARN CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(Br)c(Br)c1O ZINC000103848157 571363765 /nfs/dbraw/zinc/36/37/65/571363765.db2.gz FLYNQEFGXQNVIY-QPEQYQDCSA-N 0 0 514.145 4.548 50 0 KJAARN CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OC(C)C ZINC000103848479 571363844 /nfs/dbraw/zinc/36/38/44/571363844.db2.gz LNKZTICXVPXQRY-ZDLGFXPLSA-N 0 0 524.330 4.709 50 0 KJAARN O=C(N[C@@H]1CCCS1(=O)=O)/C(NC(=O)c1ccccc1)=C(/Sc1ccc(Cl)cc1)c1ccccc1 ZINC000103867099 571368153 /nfs/dbraw/zinc/36/81/53/571368153.db2.gz MIGZYNLOLWNFJW-ACOCPHQRSA-N 0 0 527.067 4.882 50 0 KJAARN O=C(N[C@H]1CCCS1(=O)=O)/C(NC(=O)c1ccccc1)=C(/Sc1ccc(Cl)cc1)c1ccccc1 ZINC000103867108 571368083 /nfs/dbraw/zinc/36/80/83/571368083.db2.gz MIGZYNLOLWNFJW-PDWGEAQMSA-N 0 0 527.067 4.882 50 0 KJAARN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1 ZINC000103869352 571368192 /nfs/dbraw/zinc/36/81/92/571368192.db2.gz YQGZMCXZOHZZFU-XPWALMASSA-N 0 0 538.829 4.925 50 0 KJAARN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1 ZINC000103869366 571368247 /nfs/dbraw/zinc/36/82/47/571368247.db2.gz DQXZJFFQKXFJNL-TZRRMPRUSA-N 0 0 518.411 4.580 50 0 KJAARN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]23)cc1 ZINC000103869405 571368187 /nfs/dbraw/zinc/36/81/87/571368187.db2.gz QSULRBWXLINHHW-TZRRMPRUSA-N 0 0 518.411 4.580 50 0 KJAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000103874687 571368419 /nfs/dbraw/zinc/36/84/19/571368419.db2.gz HPRQZEYENKSTBQ-QNGOZBTKSA-N 0 0 524.649 4.723 50 0 KJAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3ccccn3)C[C@H]12 ZINC000103899887 571368966 /nfs/dbraw/zinc/36/89/66/571368966.db2.gz JQFMYEZPWCCJHB-IGKIAQTJSA-N 0 0 516.443 4.813 50 0 KJAARN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3ccccn3)C[C@H]12 ZINC000103899891 571368924 /nfs/dbraw/zinc/36/89/24/571368924.db2.gz JQFMYEZPWCCJHB-RPLLCQBOSA-N 0 0 516.443 4.813 50 0 KJAARN CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000103932766 571370055 /nfs/dbraw/zinc/37/00/55/571370055.db2.gz ZJHYDBSLJDDHMB-KQWNVCNZSA-N 0 0 556.482 4.804 50 0 KJAARN Cc1cc(Br)c(NC(=O)COc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)cc1C ZINC000104026757 571371480 /nfs/dbraw/zinc/37/14/80/571371480.db2.gz LKEZEXVHJXDQTD-YDZHTSKRSA-N 0 0 534.435 4.854 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1Br ZINC000104033513 571371451 /nfs/dbraw/zinc/37/14/51/571371451.db2.gz BCWAGZLJZMIMNZ-YFVWJHKLSA-N 0 0 587.426 4.502 50 0 KJAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1Br ZINC000104072171 571372174 /nfs/dbraw/zinc/37/21/74/571372174.db2.gz DQXLVHWFZWGCJO-QUMGSSFMSA-N 0 0 573.399 4.585 50 0 KJAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000104150505 571375479 /nfs/dbraw/zinc/37/54/79/571375479.db2.gz KUHHFYZRWGDWMX-SBJIJDAESA-N 0 0 527.707 4.671 50 0 biogenic KJAARN CC1(C)[C@H](C(=O)N[C@H](N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000104150517 571375504 /nfs/dbraw/zinc/37/55/04/571375504.db2.gz KUHHFYZRWGDWMX-HFJAXUQVSA-N 0 0 527.707 4.671 50 0 biogenic KJAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000104150559 571375475 /nfs/dbraw/zinc/37/54/75/571375475.db2.gz DRALDEYSNGRUOW-SBJIJDAESA-N 0 0 586.800 4.546 50 0 biogenic KJAARN CC1(C)[C@H](C(=O)N[C@H](NC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000104150567 571375439 /nfs/dbraw/zinc/37/54/39/571375439.db2.gz DRALDEYSNGRUOW-HFJAXUQVSA-N 0 0 586.800 4.546 50 0 biogenic KJAARN COc1ccc(C(=O)Nc2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000104174930 571375972 /nfs/dbraw/zinc/37/59/72/571375972.db2.gz YTOLOHWBZURIAJ-FBLLAGFSSA-N 0 0 540.664 4.605 50 0 KJAARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@]23N=C(c2ccccc2)OC3=O)cc1OC ZINC000104181579 571376120 /nfs/dbraw/zinc/37/61/20/571376120.db2.gz MOAYBUZKDWDQOI-YDCVZUCISA-N 0 0 537.616 4.918 50 0 KJAARN CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(O)C3=C(C(=O)c3ccccc3)N2c2ccc(Cl)cc21 ZINC000104199894 571376800 /nfs/dbraw/zinc/37/68/00/571376800.db2.gz VCYXWWVNBCHCLS-CBRSEMLDSA-N 0 0 512.949 4.732 50 0 KJAARN COc1ccc(OC)c(NC(=O)CSC2=N/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)N2c2ccccc2)c1 ZINC000104209499 571376971 /nfs/dbraw/zinc/37/69/71/571376971.db2.gz VRPHDFZQZOPESG-XKZIYDEJSA-N 0 0 563.632 4.845 50 0 KJAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(c3cccc4c3C(=O)N([C@H](C)c3cccs3)C4=O)C1)CC2 ZINC000104390632 571379959 /nfs/dbraw/zinc/37/99/59/571379959.db2.gz FRCLSSOXIHIDAM-TZIWHRDSSA-N 0 0 559.688 4.924 50 0 KJAARN CCOc1cc(C(=O)O[C@@H]2C[C@@H]3CN4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc(OCC)c1OC ZINC000104539545 571381421 /nfs/dbraw/zinc/38/14/21/571381421.db2.gz OAHKGCZRPCQUJS-VNNJWJJJSA-N 0 0 636.742 4.951 50 0 KJAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000104572200 571381524 /nfs/dbraw/zinc/38/15/24/571381524.db2.gz ZQKJELSVEWMBPF-UHFFFAOYSA-N 0 0 577.776 4.896 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000104626121 571381744 /nfs/dbraw/zinc/38/17/44/571381744.db2.gz RBSHZEXXGSRPDI-GJFKPFFXSA-N 0 0 541.069 4.638 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000104626126 571381849 /nfs/dbraw/zinc/38/18/49/571381849.db2.gz RBSHZEXXGSRPDI-LWUPDDLQSA-N 0 0 541.069 4.638 50 0 KJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000104653250 1066516629 /nfs/dbraw/zinc/51/66/29/1066516629.db2.gz BSTBTNVZKNXZBG-KNIWAEIXSA-N 0 0 551.603 4.822 50 0 KJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000104653255 1066516857 /nfs/dbraw/zinc/51/68/57/1066516857.db2.gz BSTBTNVZKNXZBG-APQDCOLYSA-N 0 0 551.603 4.822 50 0 KJAARN COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c(OC)c1 ZINC000104768696 571385889 /nfs/dbraw/zinc/38/58/89/571385889.db2.gz VGSSDGFALVGITN-IMBSWCNGSA-N 0 0 555.414 4.527 50 0 KJAARN COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1OC ZINC000104768752 571385849 /nfs/dbraw/zinc/38/58/49/571385849.db2.gz NGCVIQCMSGHQNA-IMBSWCNGSA-N 0 0 555.414 4.527 50 0 KJAARN CCn1cc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CC=CCC2)c(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc21 ZINC000104773331 571385985 /nfs/dbraw/zinc/38/59/85/571385985.db2.gz HREZFKATTPPABQ-JBXUNAHCSA-N 0 0 569.768 4.666 50 0 KJAARN O=C(Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 ZINC000104783457 571386095 /nfs/dbraw/zinc/38/60/95/571386095.db2.gz PXWZWKCKEUUHNM-PPWDSJTCSA-N 0 0 565.541 4.995 50 0 biogenic KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000104784228 571385962 /nfs/dbraw/zinc/38/59/62/571385962.db2.gz JNQBTWDSOBSRFN-DNVJHFABSA-N 0 0 554.828 4.761 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N(C(=O)c2cccc(Br)c2)N[C@@H]3c2cccc(Cl)c2)cc1 ZINC000104784308 571385971 /nfs/dbraw/zinc/38/59/71/571385971.db2.gz HESLAXFJYDRETO-DNVJHFABSA-N 0 0 554.828 4.761 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccccc2Cl)cc1 ZINC000104784319 571386112 /nfs/dbraw/zinc/38/61/12/571386112.db2.gz IFSOWNAICFQDNX-DNVJHFABSA-N 0 0 554.828 4.761 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(SC)cc2)cc1 ZINC000104784358 571385950 /nfs/dbraw/zinc/38/59/50/571385950.db2.gz MNWWZZSIMSKFSL-WXFUMESZSA-N 0 0 566.477 4.830 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4OCC)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000104784367 571386083 /nfs/dbraw/zinc/38/60/83/571386083.db2.gz PFPLKXKFYKWWIW-DSNGMDLFSA-N 0 0 564.436 4.506 50 0 KJAARN COc1ccc(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000104792368 571386263 /nfs/dbraw/zinc/38/62/63/571386263.db2.gz RQHCWEHDIMFXIT-WOLJRWFJSA-N 0 0 554.691 4.851 50 0 KJAARN COc1cc(C(=O)Nc2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000104792432 571386216 /nfs/dbraw/zinc/38/62/16/571386216.db2.gz IBUPETDROQUVNI-FBLLAGFSSA-N 0 0 600.716 4.622 50 0 KJAARN O=C(NCC[S@@](=O)Cc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(F)cc2)c1 ZINC000104792908 571386272 /nfs/dbraw/zinc/38/62/72/571386272.db2.gz GHOQWOCRGQFUCS-ZUPGJOTFSA-N 0 0 612.727 4.542 50 0 KJAARN CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000104821954 571386431 /nfs/dbraw/zinc/38/64/31/571386431.db2.gz ODIIDJFISNHRAN-GUSUARRKSA-N 0 0 528.008 4.753 50 0 KJAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000104826454 571386664 /nfs/dbraw/zinc/38/66/64/571386664.db2.gz PCXMRLHRBWNISJ-STSNNJBMSA-N 0 0 552.693 4.956 50 0 KJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000104826458 571386629 /nfs/dbraw/zinc/38/66/29/571386629.db2.gz PCXMRLHRBWNISJ-HHLZMPRMSA-N 0 0 552.693 4.956 50 0 KJAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000104826461 571386666 /nfs/dbraw/zinc/38/66/66/571386666.db2.gz PCXMRLHRBWNISJ-DJCKYEBGSA-N 0 0 552.693 4.956 50 0 KJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000104826464 571386577 /nfs/dbraw/zinc/38/65/77/571386577.db2.gz PCXMRLHRBWNISJ-FNKPJXADSA-N 0 0 552.693 4.956 50 0 KJAARN C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000104900896 571387152 /nfs/dbraw/zinc/38/71/52/571387152.db2.gz VFZCGTMHQIXLSI-RBUKOAKNSA-N 0 0 541.048 4.634 50 0 KJAARN CCNC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N[C@H](Cc3ccccc3)c3ccccc3)n2)C[C@@H]1C ZINC000104903386 571387146 /nfs/dbraw/zinc/38/71/46/571387146.db2.gz KESPJZLIUMZTSF-NZQKXSOJSA-N 0 0 553.132 4.562 50 0 KJAARN CCNC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N[C@H](Cc3ccccc3)c3ccccc3)n2)C[C@H]1C ZINC000104903390 571387150 /nfs/dbraw/zinc/38/71/50/571387150.db2.gz KESPJZLIUMZTSF-NFBKMPQASA-N 0 0 553.132 4.562 50 0 KJAARN O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@@H]12 ZINC000104916470 571387564 /nfs/dbraw/zinc/38/75/64/571387564.db2.gz YOIKLTOCRBSFIW-NOZRDPDXSA-N 0 0 514.979 4.980 50 0 KJAARN O=C(NCc1ccncc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000104916626 571387594 /nfs/dbraw/zinc/38/75/94/571387594.db2.gz ZTGVLJJBPMKFQS-ILBGXUMGSA-N 0 0 514.979 4.933 50 0 KJAARN O=C(NCc1ccncc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000104916631 571387573 /nfs/dbraw/zinc/38/75/73/571387573.db2.gz ZTGVLJJBPMKFQS-UKILVPOCSA-N 0 0 514.979 4.933 50 0 KJAARN O=C([C@@H]1Cc2ccccc2N2CCN(c3ccccc3)C[C@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000104919309 571387523 /nfs/dbraw/zinc/38/75/23/571387523.db2.gz DQEGEBFBZKSGBN-IXCJQBJRSA-N 0 0 520.599 4.922 50 0 KJAARN O=C([C@H]1Cc2ccccc2N2CCN(c3ccccc3)C[C@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000104919312 571387528 /nfs/dbraw/zinc/38/75/28/571387528.db2.gz DQEGEBFBZKSGBN-XTEPFMGCSA-N 0 0 520.599 4.922 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4cc(Cl)ccc4OC)C[C@H]23)cc1OC ZINC000104919897 571387756 /nfs/dbraw/zinc/38/77/56/571387756.db2.gz AJYKDEJENJYOLR-ZEQKJWHPSA-N 0 0 536.072 4.592 50 0 KJAARN COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4cc(Cl)ccc4OC)C[C@H]23)cc1OC ZINC000104919900 571387688 /nfs/dbraw/zinc/38/76/88/571387688.db2.gz AJYKDEJENJYOLR-JYFHCDHNSA-N 0 0 536.072 4.592 50 0 KJAARN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(Br)cc1O ZINC000104922837 571388004 /nfs/dbraw/zinc/38/80/04/571388004.db2.gz QLWHLFYQMPUKET-GIDUJCDVSA-N 0 0 531.306 4.646 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000104938002 571388093 /nfs/dbraw/zinc/38/80/93/571388093.db2.gz NOMDJEXLUGYTFL-QMHKHESXSA-N 0 0 565.523 4.805 50 0 KJAARN 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COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106535311 571412935 /nfs/dbraw/zinc/41/29/35/571412935.db2.gz QOGNHDGKUZYEBQ-VEAWFHDZSA-N 0 0 528.992 4.919 50 0 KJAARN CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccco4)N4C=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000106535567 571412939 /nfs/dbraw/zinc/41/29/39/571412939.db2.gz HUFNATHZLQQDAQ-BKKFENPESA-N 0 0 510.546 4.635 50 0 KJAARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C(C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000106535997 571412844 /nfs/dbraw/zinc/41/28/44/571412844.db2.gz XRJPOPAWGLBWLU-DXBBTUNJSA-N 0 0 518.616 4.611 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000106594888 571413016 /nfs/dbraw/zinc/41/30/16/571413016.db2.gz PGYBBMXUFHWTKX-KDYSTLNUSA-N 0 0 533.673 4.562 50 0 KJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(N(C[C@@H](O)Cn3c4ccccc4c4ccccc43)S(C)(=O)=O)cc2)cc1 ZINC000106713634 571415435 /nfs/dbraw/zinc/41/54/35/571415435.db2.gz JGGQBFHWJPIVQP-VWLOTQADSA-N 0 0 577.728 4.755 50 0 KJAARN CC1(C)C[C@H](N2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCC(O)(c6ccc(Cl)cc6)CC5)C4)c3C2=O)CCO1 ZINC000106725194 571416282 /nfs/dbraw/zinc/41/62/82/571416282.db2.gz VCSQHVFZFYNVCP-ZJSXRUAMSA-N 0 0 580.125 4.620 50 0 KJAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@H]2CCCN21 ZINC000107175318 571419814 /nfs/dbraw/zinc/41/98/14/571419814.db2.gz OPAFFMVFAQXOMY-CNWOVPGOSA-N 0 0 524.326 4.752 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000107175575 571419846 /nfs/dbraw/zinc/41/98/46/571419846.db2.gz JLXVOHCEACNGOK-YCAMKHIRSA-N 0 0 521.470 4.999 50 0 KJAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000107176354 571419863 /nfs/dbraw/zinc/41/98/63/571419863.db2.gz DOBHVABSGZTJFD-ORQYLMBXSA-N 0 0 524.326 4.752 50 0 KJAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000107176358 571419832 /nfs/dbraw/zinc/41/98/32/571419832.db2.gz DOBHVABSGZTJFD-FXKZBUDASA-N 0 0 524.326 4.752 50 0 KJAARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)NCCC(=O)OCc3ccccc3)cc2)cc1 ZINC000107328633 1066406128 /nfs/dbraw/zinc/40/61/28/1066406128.db2.gz ULDDPPMVGFXSIM-JBASAIQMSA-N 0 0 598.677 4.783 50 0 KJAARN CCCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N[C@H](C)c3ccccc3)n2)C[C@@H]1C ZINC000107374968 571419922 /nfs/dbraw/zinc/41/99/22/571419922.db2.gz RUTQCPUOZJEMMO-RBUKOAKNSA-N 0 0 504.100 4.717 50 0 KJAARN CCCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N[C@H](C)c3ccccc3)n2)C[C@H]1C ZINC000107374971 571420039 /nfs/dbraw/zinc/42/00/39/571420039.db2.gz RUTQCPUOZJEMMO-RTBURBONSA-N 0 0 504.100 4.717 50 0 KJAARN O=C(/C=C\c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000108015802 1066517216 /nfs/dbraw/zinc/51/72/16/1066517216.db2.gz GIBZKAJBGCQDID-YFHOEESVSA-N 0 0 514.047 4.518 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447381 571423604 /nfs/dbraw/zinc/42/36/04/571423604.db2.gz DJLNTCRLEVPJJT-DODOAAEWSA-N 0 0 642.797 4.644 50 0 biogenic KJAARN COC(=O)CC1CCN(C(=O)CCCCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1 ZINC000108447406 571423767 /nfs/dbraw/zinc/42/37/67/571423767.db2.gz QKSYTVWDHVFKBT-MHZLTWQESA-N 0 0 637.774 4.637 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447412 571423769 /nfs/dbraw/zinc/42/37/69/571423769.db2.gz WAMXTLXMRYMBCZ-UUOWRZLLSA-N 0 0 551.684 4.502 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCc4ccccc4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447416 571423709 /nfs/dbraw/zinc/42/37/09/571423709.db2.gz DSSNFWFODSCTIT-MHZLTWQESA-N 0 0 585.701 4.640 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCc3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447430 571423750 /nfs/dbraw/zinc/42/37/50/571423750.db2.gz KUSGLNHNEBJSML-HVNZXBJASA-N 0 0 587.717 4.658 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3cc(C)n(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447490 571423798 /nfs/dbraw/zinc/42/37/98/571423798.db2.gz OQELXRYZYAFYOX-DEOSSOPVSA-N 0 0 591.709 4.516 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@H](C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447494 571423743 /nfs/dbraw/zinc/42/37/43/571423743.db2.gz MOGURWAQQPKTTQ-WYEJZRMESA-N 0 0 559.663 4.541 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447497 571423763 /nfs/dbraw/zinc/42/37/63/571423763.db2.gz MOGURWAQQPKTTQ-MHPIHPPYSA-N 0 0 559.663 4.541 50 0 biogenic KJAARN COc1ccc2[nH]cc(CCNC(=O)[C@H](C)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c2c1 ZINC000108447592 571423752 /nfs/dbraw/zinc/42/37/52/571423752.db2.gz VBAWGYYYTMDPOT-VKGTZQKMSA-N 0 0 628.726 4.512 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447604 571423738 /nfs/dbraw/zinc/42/37/38/571423738.db2.gz VWKIKZZXSXYLRA-DEOSSOPVSA-N 0 0 574.678 4.869 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccncc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447668 571423790 /nfs/dbraw/zinc/42/37/90/571423790.db2.gz FZXWDYSRYZZXFS-VWLOTQADSA-N 0 0 574.678 4.869 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3cccnc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447745 571423884 /nfs/dbraw/zinc/42/38/84/571423884.db2.gz CVJCCRYVXLCBLZ-VWLOTQADSA-N 0 0 574.678 4.869 50 0 biogenic KJAARN COc1ccc(CNC(=O)[C@H](CCSC)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 ZINC000108447799 571423855 /nfs/dbraw/zinc/42/38/55/571423855.db2.gz LJIFZBJJDIBIDQ-XCZPVHLTSA-N 0 0 635.783 4.722 50 0 biogenic KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1ccc2c(c1)OCO2 ZINC000108447804 571423905 /nfs/dbraw/zinc/42/39/05/571423905.db2.gz GCBQHTISMHPLHR-RNUBLEDQSA-N 0 0 631.726 4.735 50 0 biogenic KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1ccco1 ZINC000108447922 571423898 /nfs/dbraw/zinc/42/38/98/571423898.db2.gz RCOWHZDEIPBJAR-PFTPNIEWSA-N 0 0 591.705 4.642 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCc3ccc(O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447959 571423897 /nfs/dbraw/zinc/42/38/97/571423897.db2.gz VEROJRXKWVFSJX-NDEPHWFRSA-N 0 0 617.743 4.900 50 0 biogenic KJAARN COc1ccc(NC(=O)[C@H](CC(C)C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cn1 ZINC000108447988 571423913 /nfs/dbraw/zinc/42/39/13/571423913.db2.gz XLKWVZDPOOOWFQ-AHWVRZQESA-N 0 0 604.704 4.732 50 0 biogenic KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1nc2ccccc2[nH]1 ZINC000108448059 571424136 /nfs/dbraw/zinc/42/41/36/571424136.db2.gz OHQVNBUMDOWCMM-DMOZSWNESA-N 0 0 627.742 4.882 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc(C)c(C)s3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448072 571424114 /nfs/dbraw/zinc/42/41/14/571424114.db2.gz MTRQWRKOFLEZLX-QFIPXVFZSA-N 0 0 580.707 4.767 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccncc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448085 571424070 /nfs/dbraw/zinc/42/40/70/571424070.db2.gz SYPDGNYZGXDURU-AHWVRZQESA-N 0 0 574.678 4.723 50 0 biogenic KJAARN COc1ccc(CNC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 ZINC000108448112 571424082 /nfs/dbraw/zinc/42/40/82/571424082.db2.gz DGFPMQGJNKIBAD-HVNZXBJASA-N 0 0 603.716 4.625 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448119 571424035 /nfs/dbraw/zinc/42/40/35/571424035.db2.gz YAPPVSQLPICUCG-ZCYQVOJMSA-N 0 0 585.767 4.559 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448122 571424067 /nfs/dbraw/zinc/42/40/67/571424067.db2.gz CUYRWMXIWNCVDB-HVNZXBJASA-N 0 0 616.715 4.897 50 0 biogenic KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCC(C)C ZINC000108448126 571424066 /nfs/dbraw/zinc/42/40/66/571424066.db2.gz PNMBODILJOTBEM-CHNYNYQGSA-N 0 0 567.727 4.852 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cccc4c3ccn4C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448164 571424131 /nfs/dbraw/zinc/42/41/31/571424131.db2.gz VVOKAXIEAAASOV-BVZFJXPGSA-N 0 0 584.673 4.794 50 0 biogenic KJAARN COc1cc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc(OC)c1OC ZINC000108448247 571424121 /nfs/dbraw/zinc/42/41/21/571424121.db2.gz CNMYOHRUGWIDPL-DEOSSOPVSA-N 0 0 635.714 4.720 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCc3c[nH]c4ccccc34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448291 571424282 /nfs/dbraw/zinc/42/42/82/571424282.db2.gz HQIRXDDEAVOHEH-NDEPHWFRSA-N 0 0 612.727 4.895 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC3CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448327 571424266 /nfs/dbraw/zinc/42/42/66/571424266.db2.gz VUXARRFKGPKRBZ-AHWVRZQESA-N 0 0 597.778 4.846 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448357 571424276 /nfs/dbraw/zinc/42/42/76/571424276.db2.gz VMFAODXVMJUOKC-DEOSSOPVSA-N 0 0 545.636 4.694 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nc4ccccc4s3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448369 571424277 /nfs/dbraw/zinc/42/42/77/571424277.db2.gz RSQCDGCZFMGELT-FQEVSTJZSA-N 0 0 574.659 4.523 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3c(C)nn(C)c3C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448504 571424250 /nfs/dbraw/zinc/42/42/50/571424250.db2.gz IXKYZRJHRHTQSD-VWLOTQADSA-N 0 0 605.736 4.824 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4[nH]c(CC(C)C)nc4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448530 571424170 /nfs/dbraw/zinc/42/41/70/571424170.db2.gz WHBNPIZYXNLZDH-DEOSSOPVSA-N 0 0 613.715 4.988 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448584 571424415 /nfs/dbraw/zinc/42/44/15/571424415.db2.gz BIWSMJPDNWRACZ-DEOSSOPVSA-N 0 0 553.700 4.608 50 0 biogenic KJAARN COc1ccccc1OCCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000108448662 571424388 /nfs/dbraw/zinc/42/43/88/571424388.db2.gz QGRLDJDGHIWRJJ-UKJJDJLKSA-N 0 0 633.742 4.503 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc(C)cs3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448734 571424404 /nfs/dbraw/zinc/42/44/04/571424404.db2.gz JCKWNCJDWGASDY-GMAHTHKFSA-N 0 0 612.774 4.800 50 0 biogenic KJAARN COc1ccc(NC(=O)CCCCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cn1 ZINC000108448768 571424371 /nfs/dbraw/zinc/42/43/71/571424371.db2.gz XFFWLKLIWJTPHN-VWLOTQADSA-N 0 0 604.704 4.878 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3nc4c(s3)CCC4)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448783 571424487 /nfs/dbraw/zinc/42/44/87/571424487.db2.gz KGBLWQMWSLTQDY-KMRXNPHXSA-N 0 0 606.745 4.883 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448836 571424484 /nfs/dbraw/zinc/42/44/84/571424484.db2.gz PHYRYLLDPYGJIY-VWLOTQADSA-N 0 0 577.678 4.745 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCc3nc4ccccc4[nH]3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448863 193923521 /nfs/dbraw/zinc/92/35/21/193923521.db2.gz WFDHIZCDZIQKHH-BNHRFMORSA-N 0 0 627.742 4.535 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ncc(C)s3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448867 571424481 /nfs/dbraw/zinc/42/44/81/571424481.db2.gz RUZOZYLQBNSQRQ-LVXARBLLSA-N 0 0 580.707 4.703 50 0 biogenic KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1ccco1 ZINC000108448980 193923467 /nfs/dbraw/zinc/92/34/67/193923467.db2.gz AECNLIPNJZXTNL-MQUZVZANSA-N 0 0 577.678 4.599 50 0 biogenic KJAARN COc1ccc(NC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 ZINC000108448998 571424473 /nfs/dbraw/zinc/42/44/73/571424473.db2.gz AIYBHJWCRLKDAW-QCDSWUKFSA-N 0 0 589.689 4.947 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449010 193923534 /nfs/dbraw/zinc/92/35/34/193923534.db2.gz WPJSBJILPSRSQP-MHZLTWQESA-N 0 0 602.732 4.589 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3nc4ccccc4n3C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449072 193923251 /nfs/dbraw/zinc/92/32/51/193923251.db2.gz GGXTVKFRJSWYMI-DEOSSOPVSA-N 0 0 613.715 4.522 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449109 193923554 /nfs/dbraw/zinc/92/35/54/193923554.db2.gz RQTMGTAWTSXJEW-VWLOTQADSA-N 0 0 567.727 4.998 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4c(c3)ncn4C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449127 571424706 /nfs/dbraw/zinc/42/47/06/571424706.db2.gz YGIOEHWCAPIUJK-DLLPINGYSA-N 0 0 613.715 4.825 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ncc(C)s3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449162 193923644 /nfs/dbraw/zinc/92/36/44/193923644.db2.gz JEWNRFUMYHQCMT-GMAHTHKFSA-N 0 0 612.774 4.800 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3nc(C)cs3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449167 193923372 /nfs/dbraw/zinc/92/33/72/193923372.db2.gz PSBGOKOGYHNSKC-LVXARBLLSA-N 0 0 580.707 4.703 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449211 571424695 /nfs/dbraw/zinc/42/46/95/571424695.db2.gz SVQCQRDYVJNZFH-QFIPXVFZSA-N 0 0 580.707 4.931 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3cccc(NC(C)=O)c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449225 193924132 /nfs/dbraw/zinc/92/41/32/193924132.db2.gz LHINGKAFTIXZMH-HVNZXBJASA-N 0 0 616.715 4.897 50 0 biogenic KJAARN COc1ccc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c(OC)c1 ZINC000108449260 571424739 /nfs/dbraw/zinc/42/47/39/571424739.db2.gz FQYPOUDEQQMSIC-DEOSSOPVSA-N 0 0 605.688 4.711 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449270 571424725 /nfs/dbraw/zinc/42/47/25/571424725.db2.gz HCTPBTYVUPCJBS-AHWVRZQESA-N 0 0 577.678 4.599 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3nc4c(s3)CCCC4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449400 571424665 /nfs/dbraw/zinc/42/46/65/571424665.db2.gz YQNKZRRDBHHIAJ-KKSFZXQISA-N 0 0 592.718 4.637 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449409 193924060 /nfs/dbraw/zinc/92/40/60/193924060.db2.gz CONMCAJQSDRJJW-DLLPINGYSA-N 0 0 617.699 4.709 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449415 571424750 /nfs/dbraw/zinc/42/47/50/571424750.db2.gz OZACPWGHHMQNTB-AHWVRZQESA-N 0 0 567.727 4.852 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCC3=CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449439 571424649 /nfs/dbraw/zinc/42/46/49/571424649.db2.gz QGTBEJFPPSXUCD-DFBJGRDBSA-N 0 0 563.695 4.670 50 0 biogenic KJAARN COCCn1ccc2c1cccc2NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449466 571424887 /nfs/dbraw/zinc/42/48/87/571424887.db2.gz KWMGMINAKXSVIC-SANMLTNESA-N 0 0 614.699 4.515 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CCCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449490 571424874 /nfs/dbraw/zinc/42/48/74/571424874.db2.gz NIXVSBBWVLJLGH-DFBJGRDBSA-N 0 0 565.711 4.893 50 0 biogenic KJAARN COc1ccccc1CNC(=O)[C@H](CCSC)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449494 571424822 /nfs/dbraw/zinc/42/48/22/571424822.db2.gz YUJMRXKTFPXVOE-BDYUSTAISA-N 0 0 635.783 4.722 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CCN(c4ccccn4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449516 571424817 /nfs/dbraw/zinc/42/48/17/571424817.db2.gz KVNZXJZFUDHMES-NDEPHWFRSA-N 0 0 643.785 4.579 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCN(c4ccccc4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449529 571424904 /nfs/dbraw/zinc/42/49/04/571424904.db2.gz WCGBOZUAUZDHQR-UVMMSNCQSA-N 0 0 628.770 4.648 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC3CCCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449622 571424894 /nfs/dbraw/zinc/42/48/94/571424894.db2.gz JYJXBRVMLJJYAS-DEOSSOPVSA-N 0 0 551.684 4.504 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCc3ccc(O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449625 571424815 /nfs/dbraw/zinc/42/48/15/571424815.db2.gz MQBVYFCSPCMTHD-YTMVLYRLSA-N 0 0 617.743 4.754 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449671 571424847 /nfs/dbraw/zinc/42/48/47/571424847.db2.gz BKXVTYAICQEDKN-XCZPVHLTSA-N 0 0 619.784 4.756 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449704 571424903 /nfs/dbraw/zinc/42/49/03/571424903.db2.gz YBMURDXOXTZLGU-SANMLTNESA-N 0 0 602.688 4.652 50 0 biogenic KJAARN COc1ccc(NC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)c(OC)c1 ZINC000108449857 571425007 /nfs/dbraw/zinc/42/50/07/571425007.db2.gz YRLJJVQXUILOLF-DLLPINGYSA-N 0 0 619.715 4.955 50 0 biogenic KJAARN COc1ccc(CCNC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 ZINC000108449912 571424978 /nfs/dbraw/zinc/42/49/78/571424978.db2.gz DCYSXYQLGOWCTF-UCGGBYDDSA-N 0 0 617.743 4.667 50 0 biogenic KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC1CCCC1 ZINC000108449927 571424977 /nfs/dbraw/zinc/42/49/77/571424977.db2.gz VCNPQYPBTPZXQT-MQUZVZANSA-N 0 0 565.711 4.748 50 0 biogenic KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1ccc(O)cc1 ZINC000108449998 571425003 /nfs/dbraw/zinc/42/50/03/571425003.db2.gz TXFBXPCWUDCKDS-MLEOTOBYSA-N 0 0 617.743 4.754 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cccc(NC(C)=O)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450064 571425110 /nfs/dbraw/zinc/42/51/10/571425110.db2.gz LIXSOWFRBYYXKG-SANMLTNESA-N 0 0 602.688 4.652 50 0 biogenic KJAARN COCCn1ccc2c1cccc2NC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108450094 571425196 /nfs/dbraw/zinc/42/51/96/571425196.db2.gz JBAMTORBTMIFCH-DCFHFQCYSA-N 0 0 628.726 4.903 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450103 571425107 /nfs/dbraw/zinc/42/51/07/571425107.db2.gz AJUGMSGMVKUZSE-BDYUSTAISA-N 0 0 605.757 4.713 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccc(C(N)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450165 193925243 /nfs/dbraw/zinc/92/52/43/193925243.db2.gz ABFHUHONCMUQNY-SANMLTNESA-N 0 0 616.715 4.573 50 0 biogenic KJAARN COc1ccccc1NC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108450204 571425140 /nfs/dbraw/zinc/42/51/40/571425140.db2.gz FMVZLVGIHSNWKH-QHCPKHFHSA-N 0 0 575.662 4.702 50 0 biogenic KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nccs1 ZINC000108450207 571425226 /nfs/dbraw/zinc/42/52/26/571425226.db2.gz UXXWTMGFHUGNFG-LVARUYSCSA-N 0 0 580.707 4.785 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N[C@@H]3CCOC(C)(C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450220 571425166 /nfs/dbraw/zinc/42/51/66/571425166.db2.gz DMCANCKZKSVWFH-BVAGGSTKSA-N 0 0 609.764 4.909 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N[C@H]3CCOC(C)(C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450222 193925739 /nfs/dbraw/zinc/92/57/39/193925739.db2.gz DMCANCKZKSVWFH-OZXSUGGESA-N 0 0 609.764 4.909 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450234 571425222 /nfs/dbraw/zinc/42/52/22/571425222.db2.gz CYDOQQAMNQFHQC-OUTSHDOLSA-N 0 0 559.663 4.938 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450239 571425215 /nfs/dbraw/zinc/42/52/15/571425215.db2.gz KVALKUOKWPNZOQ-ODXYHCAUSA-N 0 0 640.781 4.521 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCc4[nH]c5ccccc5c4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450252 571425125 /nfs/dbraw/zinc/42/51/25/571425125.db2.gz HSWHVDQAWIFLAH-PPHZAIPVSA-N 0 0 610.711 4.730 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCSc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450342 571425223 /nfs/dbraw/zinc/42/52/23/571425223.db2.gz RLMIIATXHHPFFJ-DFBJGRDBSA-N 0 0 591.730 4.572 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450346 193925892 /nfs/dbraw/zinc/92/58/92/193925892.db2.gz XUFVCDGDRUEXMX-DEOSSOPVSA-N 0 0 551.684 4.504 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NC3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450350 193925856 /nfs/dbraw/zinc/92/58/56/193925856.db2.gz WHIQMJMCAALQBT-VWLOTQADSA-N 0 0 565.711 4.894 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450368 571425117 /nfs/dbraw/zinc/42/51/17/571425117.db2.gz HZUPEIUMCOSIEE-PPHZAIPVSA-N 0 0 598.700 4.504 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N(C)Cc3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450372 571425108 /nfs/dbraw/zinc/42/51/08/571425108.db2.gz FGEQAJQRWGROKI-HVNZXBJASA-N 0 0 587.717 4.958 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450444 571425351 /nfs/dbraw/zinc/42/53/51/571425351.db2.gz RJLGYVJCYNUQJP-DEOSSOPVSA-N 0 0 608.761 4.651 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCCOC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450455 571425243 /nfs/dbraw/zinc/42/52/43/571425243.db2.gz SVZSFUWUMPVAOH-SANMLTNESA-N 0 0 597.753 4.767 50 0 biogenic KJAARN COc1ccc(OC)c(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c1 ZINC000108450488 571425241 /nfs/dbraw/zinc/42/52/41/571425241.db2.gz LRNYMPWSLXCQRT-DEOSSOPVSA-N 0 0 605.688 4.711 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCc3nc4ccccc4[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450491 571425264 /nfs/dbraw/zinc/42/52/64/571425264.db2.gz SLTGOFLMKNWJPG-VWLOTQADSA-N 0 0 627.742 4.680 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc4c(s3)CCC4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450520 193926251 /nfs/dbraw/zinc/92/62/51/193926251.db2.gz DSTQZKFMTFHDDW-NRFANRHFSA-N 0 0 592.718 4.639 50 0 biogenic KJAARN COc1ccc(CNC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1OC ZINC000108450610 571425277 /nfs/dbraw/zinc/42/52/77/571425277.db2.gz PNTZWKZIHXKCME-UKJJDJLKSA-N 0 0 633.742 4.633 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3nc4ccccc4s3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450638 571425306 /nfs/dbraw/zinc/42/53/06/571425306.db2.gz KQLCPKHRIOUJBL-KKSFZXQISA-N 0 0 588.686 4.912 50 0 biogenic KJAARN COc1ccccc1CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000108450659 571425282 /nfs/dbraw/zinc/42/52/82/571425282.db2.gz GMGYXPXTMOCFDD-FKAPRUDGSA-N 0 0 603.716 4.625 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N(C)Cc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450694 571425273 /nfs/dbraw/zinc/42/52/73/571425273.db2.gz GTTLKBPHPXRUNE-SANMLTNESA-N 0 0 573.690 4.714 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCC(c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450737 193926017 /nfs/dbraw/zinc/92/60/17/193926017.db2.gz MFBGQEYPRNFKMT-MHZLTWQESA-N 0 0 585.701 4.681 50 0 biogenic KJAARN COc1cccc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c1 ZINC000108450783 571425425 /nfs/dbraw/zinc/42/54/25/571425425.db2.gz PPSPBDWTJATOHU-VWLOTQADSA-N 0 0 575.662 4.702 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450788 571425540 /nfs/dbraw/zinc/42/55/40/571425540.db2.gz ZZEPJVBOHSXQDY-BDYUSTAISA-N 0 0 591.705 4.642 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC3CCCCC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450791 571425464 /nfs/dbraw/zinc/42/54/64/571425464.db2.gz HDDXPTYEWBEJJQ-OUTSHDOLSA-N 0 0 565.711 4.748 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nc4c(s3)CCCCC4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450803 193926787 /nfs/dbraw/zinc/92/67/87/193926787.db2.gz UYCHLUGLUXEWNE-NRFANRHFSA-N 0 0 592.718 4.639 50 0 biogenic KJAARN COc1ccc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 ZINC000108450844 571425477 /nfs/dbraw/zinc/42/54/77/571425477.db2.gz HAKXJAKBFGZIKB-VWLOTQADSA-N 0 0 575.662 4.702 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@H](C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450917 193926843 /nfs/dbraw/zinc/92/68/43/193926843.db2.gz QINYQCPJGCIPIS-IBVKSMDESA-N 0 0 573.690 4.933 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H](C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450921 571425426 /nfs/dbraw/zinc/42/54/26/571425426.db2.gz QINYQCPJGCIPIS-FNZWTVRRSA-N 0 0 573.690 4.933 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCc3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450986 571425524 /nfs/dbraw/zinc/42/55/24/571425524.db2.gz LNQMAHOWSZDXTP-QCDSWUKFSA-N 0 0 573.690 4.616 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4c(c3)ncn4C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451155 571425671 /nfs/dbraw/zinc/42/56/71/571425671.db2.gz PUFHBUTXWHIOBY-DEOSSOPVSA-N 0 0 599.688 4.581 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451162 571425669 /nfs/dbraw/zinc/42/56/69/571425669.db2.gz ZGNARTZVSWEMMM-VWLOTQADSA-N 0 0 625.726 4.557 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451250 193927326 /nfs/dbraw/zinc/92/73/26/193927326.db2.gz MGWLUJSPCBWNCZ-GMAHTHKFSA-N 0 0 580.707 4.785 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451362 571425692 /nfs/dbraw/zinc/42/56/92/571425692.db2.gz UXADUIWQHLQIGJ-SANMLTNESA-N 0 0 619.118 4.769 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451452 571425615 /nfs/dbraw/zinc/42/56/15/571425615.db2.gz UAPVQEWQOLNQCW-VWLOTQADSA-N 0 0 565.711 4.894 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCc3nc4ccccc4n3C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451473 571425655 /nfs/dbraw/zinc/42/56/55/571425655.db2.gz OSEZKZKNRVRCBU-BNHRFMORSA-N 0 0 627.742 4.503 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cccc4[nH]ccc43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451500 571425846 /nfs/dbraw/zinc/42/58/46/571425846.db2.gz UAGKKGNOEFXODF-GKVSMKOHSA-N 0 0 570.646 4.783 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCc3nc4ccccc4n3C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451523 193927625 /nfs/dbraw/zinc/92/76/25/193927625.db2.gz NNUMNGDDLQZWCV-CPJSRVTESA-N 0 0 627.742 4.910 50 0 biogenic KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCc3ccncc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451587 571425845 /nfs/dbraw/zinc/42/58/45/571425845.db2.gz UUCLAGFJWZBTTP-MHZLTWQESA-N 0 0 602.732 4.589 50 0 biogenic KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCOC(C)C ZINC000108451601 571425764 /nfs/dbraw/zinc/42/57/64/571425764.db2.gz STUGXTCGTMFMHA-MOXKEGGMSA-N 0 0 597.753 4.621 50 0 biogenic KJAARN CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000108522858 571426094 /nfs/dbraw/zinc/42/60/94/571426094.db2.gz GCSFJKUUFZLWCQ-HUULLNBQSA-N 0 0 569.459 4.529 50 0 KJAARN CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000108522880 571426161 /nfs/dbraw/zinc/42/61/61/571426161.db2.gz QKVFMUSRIBHIJA-PDRGBRDOSA-N 0 0 540.623 4.920 50 0 KJAARN CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000108523079 571426139 /nfs/dbraw/zinc/42/61/39/571426139.db2.gz XFMFTOKPFCFGTG-UUZIFAJNSA-N 0 0 526.596 4.530 50 0 KJAARN CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000108523118 571426075 /nfs/dbraw/zinc/42/60/75/571426075.db2.gz YWZHRYBPRQRKJJ-UUZIFAJNSA-N 0 0 526.596 4.530 50 0 KJAARN O=C(COc1ccc(Cl)cc1Cl)N[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000108804899 571426573 /nfs/dbraw/zinc/42/65/73/571426573.db2.gz IXPZWRAERCOSAS-HNNXBMFYSA-N 0 0 541.067 4.817 50 0 KJAARN O=C(COc1ccc(Cl)cc1Cl)N[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000108804906 571426611 /nfs/dbraw/zinc/42/66/11/571426611.db2.gz IXPZWRAERCOSAS-OAHLLOKOSA-N 0 0 541.067 4.817 50 0 KJAARN N=c1sc(C(=O)c2cccs2)nn1-c1c(Br)cc(Br)cc1Br ZINC000108806045 571426593 /nfs/dbraw/zinc/42/65/93/571426593.db2.gz PODPFBHGRKCNNP-UHFFFAOYSA-N 0 0 524.057 4.993 50 0 KJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1C ZINC000108832788 571426844 /nfs/dbraw/zinc/42/68/44/571426844.db2.gz TTXKWWVWYKZWTQ-FTJBHMTQSA-N 0 0 527.683 4.518 50 0 KJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1C ZINC000108832791 571426840 /nfs/dbraw/zinc/42/68/40/571426840.db2.gz TTXKWWVWYKZWTQ-UIOOFZCWSA-N 0 0 527.683 4.518 50 0 KJAARN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000108843267 571426798 /nfs/dbraw/zinc/42/67/98/571426798.db2.gz WZVYESLTWQNGNM-PCGJDWNTSA-N 0 0 558.660 4.519 50 0 KJAARN Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000108843277 571426813 /nfs/dbraw/zinc/42/68/13/571426813.db2.gz WZVYESLTWQNGNM-CGHRXAFASA-N 0 0 558.660 4.519 50 0 KJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[C@H]1C ZINC000108868212 571426933 /nfs/dbraw/zinc/42/69/33/571426933.db2.gz SVNLYOMQMYIGSK-HYFFOGBASA-N 0 0 506.521 4.821 50 0 KJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[C@H]1C ZINC000108868214 571426917 /nfs/dbraw/zinc/42/69/17/571426917.db2.gz SVNLYOMQMYIGSK-JLHGSKIFSA-N 0 0 506.521 4.821 50 0 KJAARN C[C@@H](Sc1ncccc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000108870377 571426962 /nfs/dbraw/zinc/42/69/62/571426962.db2.gz VYFYCASABKWRPC-GDHMFGLQSA-N 0 0 517.736 4.989 50 0 KJAARN COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C2(C(=O)Nc3ccc4c(ccn4C)c3)CCCC2)cc1OC ZINC000108885195 571427299 /nfs/dbraw/zinc/42/72/99/571427299.db2.gz QSHLCOJGEKEZRM-UHFFFAOYSA-N 0 0 608.695 4.814 50 0 KJAARN CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000109685175 571429820 /nfs/dbraw/zinc/42/98/20/571429820.db2.gz KJIUAPZXDCTEAW-NKFKGCMQSA-N 0 0 542.474 4.818 50 0 KJAARN Cc1nn(C)c(C)c1CN1C(=O)c2cccc(N3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)c2C1=O ZINC000109897630 1066470839 /nfs/dbraw/zinc/47/08/39/1066470839.db2.gz BMFKHAQJXBNYDO-UHFFFAOYSA-N 0 0 535.648 4.948 50 0 KJAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccccc1Br ZINC000110058485 571430644 /nfs/dbraw/zinc/43/06/44/571430644.db2.gz JQXSSVQVWCEVJS-NRFANRHFSA-N 0 0 528.428 4.580 50 0 KJAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OC(=O)c1ccccc1Br ZINC000110058490 571430605 /nfs/dbraw/zinc/43/06/05/571430605.db2.gz JQXSSVQVWCEVJS-OAQYLSRUSA-N 0 0 528.428 4.580 50 0 KJAARN O=C(COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000110495340 571431327 /nfs/dbraw/zinc/43/13/27/571431327.db2.gz LWGNPPRVVJLIOB-USQSOZGKSA-N 0 0 541.604 4.630 50 0 KJAARN O=C(COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000110495345 571431343 /nfs/dbraw/zinc/43/13/43/571431343.db2.gz LWGNPPRVVJLIOB-IUZSTLDHSA-N 0 0 541.604 4.630 50 0 KJAARN C[C@@H]1N(C)c2cc(NC(=O)c3ccco3)c([P@](=O)(Nc3ccccc3)N3CCOCC3)cc2C1(C)C ZINC000110551381 571431537 /nfs/dbraw/zinc/43/15/37/571431537.db2.gz QFVGEQQQFNIKTN-NEWXBXSUSA-N 0 0 508.559 4.911 50 0 KJAARN C[C@H]1N(C)c2cc(NC(=O)c3ccco3)c([P@](=O)(Nc3ccccc3)N3CCOCC3)cc2C1(C)C ZINC000110551385 571431535 /nfs/dbraw/zinc/43/15/35/571431535.db2.gz QFVGEQQQFNIKTN-TVKFYGHBSA-N 0 0 508.559 4.911 50 0 KJAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(SCC(=O)Nc3nnc(C)s3)cc2)cc1 ZINC000112072705 571433706 /nfs/dbraw/zinc/43/37/06/571433706.db2.gz SOSGMCAQIRIUPK-JLPGSUDCSA-N 0 0 559.673 4.996 50 0 KJAARN Cc1nnc(NC(=O)CSc2ccc(NC(=O)/C(=C/c3ccccc3)NC(=O)c3ccccc3)cc2)s1 ZINC000112072736 571433701 /nfs/dbraw/zinc/43/37/01/571433701.db2.gz XEJBQIIKGLRIGK-KQWNVCNZSA-N 0 0 529.647 4.987 50 0 KJAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000112312314 1066517205 /nfs/dbraw/zinc/51/72/05/1066517205.db2.gz MWFIVHDNZFVKTP-IFJLWGTHSA-N 0 0 593.652 4.918 50 0 KJAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000112312317 1066517178 /nfs/dbraw/zinc/51/71/78/1066517178.db2.gz MWFIVHDNZFVKTP-VFGKSLPDSA-N 0 0 593.652 4.918 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 ZINC000112368518 1066517323 /nfs/dbraw/zinc/51/73/23/1066517323.db2.gz RMBKCDSIXGFPTM-MOPHNARESA-N 0 0 629.691 4.602 50 0 KJAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000112368521 1066517146 /nfs/dbraw/zinc/51/71/46/1066517146.db2.gz RMBKCDSIXGFPTM-PWDOIOCHSA-N 0 0 629.691 4.602 50 0 KJAARN O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1 ZINC000113198271 562826304 /nfs/dbraw/zinc/82/63/04/562826304.db2.gz GNNDEPIMDAZHRQ-UHFFFAOYSA-N 0 0 510.472 4.997 50 0 in-man KJAARN O=C(NCc1ccc(Cl)cc1)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1 ZINC000113560477 571440057 /nfs/dbraw/zinc/44/00/57/571440057.db2.gz GRWNJDOMUVLGPN-JWGURIENSA-N 0 0 542.082 4.730 50 0 KJAARN O=C(N/C(=C\c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CCN(/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000113561152 571440129 /nfs/dbraw/zinc/44/01/29/571440129.db2.gz HIIHDHQGPVNGPB-PRWWZWSXSA-N 0 0 588.755 4.575 50 0 KJAARN C[C@@H]1C[C@H](C)CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000113561235 571440198 /nfs/dbraw/zinc/44/01/98/571440198.db2.gz GCBDDOGPGYVRBU-JRPNMDOOSA-N 0 0 520.312 4.840 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 ZINC000113561240 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ZINC000136569416 571449552 /nfs/dbraw/zinc/44/95/52/571449552.db2.gz JNMXPIUOVAAYCU-MYJYKVKASA-N 0 0 524.212 4.601 50 0 KJAARN O=C1NN(c2ccccc2)C(=O)[C@H]2[C@H]1C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000136569467 571449534 /nfs/dbraw/zinc/44/95/34/571449534.db2.gz JNMXPIUOVAAYCU-LMHXZZLNSA-N 0 0 524.212 4.601 50 0 KJAARN O=C(Oc1ccc(C=C2NC(=S)NC2=O)cc1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000136681592 571449662 /nfs/dbraw/zinc/44/96/62/571449662.db2.gz DDMKADPGGVCDLE-WOJGMQOQSA-N 0 0 602.260 4.995 50 0 KJAARN COc1cc([C@H](O)[C@H](CO)[C@@H](CO)[C@H](O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000136708676 571449863 /nfs/dbraw/zinc/44/98/63/571449863.db2.gz ZUVWPZJEJMZIRA-FSUFCWANSA-N 0 0 574.670 4.846 50 0 KJAARN CN1C(=O)[C@H](c2c[nH]c3ccc(Br)cc32)N(C)C(=O)[C@H]1c1c[nH]c2ccc(Br)cc21 ZINC000136961627 571449801 /nfs/dbraw/zinc/44/98/01/571449801.db2.gz SWKRXCDDZJSVMI-BGYRXZFFSA-N 0 0 530.220 4.887 50 0 KJAARN O=C(O[C@H](n1cncn1)C(Br)(Br)Br)c1ccc(Cl)cc1Cl ZINC000136975502 571449950 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/nfs/dbraw/zinc/45/05/76/571450576.db2.gz YOQWWPKGYIQFCM-HZFUHODCSA-N 0 0 520.541 4.966 50 0 KJAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc(OC)c1OC ZINC000137886095 571450923 /nfs/dbraw/zinc/45/09/23/571450923.db2.gz ORNQRVQPUKWWID-ZRRKCSAHSA-N 0 0 510.546 4.917 50 0 KJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(C)[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000137905548 571450926 /nfs/dbraw/zinc/45/09/26/571450926.db2.gz OECCDGFCMGGDOV-HZFUHODCSA-N 0 0 516.594 4.929 50 0 KJAARN COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 ZINC000137962755 571450817 /nfs/dbraw/zinc/45/08/17/571450817.db2.gz LQOZLPOWRIIDBC-RJGXRXQPSA-N 0 0 509.356 4.517 50 0 KJAARN O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000138038430 571450792 /nfs/dbraw/zinc/45/07/92/571450792.db2.gz ZCXXUEHMDPRKLK-YCAMKHIRSA-N 0 0 514.379 4.603 50 0 KJAARN O=C(NN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1cccc(Br)c1 ZINC000138080357 562831724 /nfs/dbraw/zinc/83/17/24/562831724.db2.gz RXVFDTUMGMCGSZ-NEWJYFPISA-N 0 0 501.380 4.833 50 0 aggregator KJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000138208336 571451246 /nfs/dbraw/zinc/45/12/46/571451246.db2.gz UHHIVOAGOSKCQA-PCCBWWKXSA-N 0 0 516.907 4.712 50 0 KJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)cc1 ZINC000138590060 571451550 /nfs/dbraw/zinc/45/15/50/571451550.db2.gz SLFHHAKBDIOKSZ-BHDDXSALSA-N 0 0 517.994 4.912 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)nn3-c3ccccc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000140128103 571455373 /nfs/dbraw/zinc/45/53/73/571455373.db2.gz SWTQFHIOEJALMW-QFFYTCKUSA-N 0 0 546.652 4.651 50 0 KJAARN O=c1ccn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2O[C@H]2CCCCO2)c(=O)[nH]1 ZINC000140803131 571455948 /nfs/dbraw/zinc/45/59/48/571455948.db2.gz GSKCTTJZWPCGDZ-MAJIKDHASA-N 0 0 554.643 4.745 50 0 KJAARN O=C(O[C@@H]1CO[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000147581299 571456914 /nfs/dbraw/zinc/45/69/14/571456914.db2.gz YHLULIUXPPJCPL-LUYUGSQRSA-N 0 0 566.562 4.877 50 0 KJAARN O=C(OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000147888362 571456877 /nfs/dbraw/zinc/45/68/77/571456877.db2.gz SVVKRZQAFRVDED-UUZIFAJNSA-N 0 0 566.562 4.877 50 0 KJAARN O=C(OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000149686434 571457016 /nfs/dbraw/zinc/45/70/16/571457016.db2.gz SVVKRZQAFRVDED-ZPBGSLHZSA-N 0 0 566.562 4.877 50 0 KJAARN O=C(O[C@@H]1CO[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000149703018 571457024 /nfs/dbraw/zinc/45/70/24/571457024.db2.gz YHLULIUXPPJCPL-XAEBNIDXSA-N 0 0 566.562 4.877 50 0 KJAARN O=C(O[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c2ncnc3N(C(=O)c2ccccc2)C(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000150341249 571458074 /nfs/dbraw/zinc/45/80/74/571458074.db2.gz GNYQOUZNLMTKQG-RLRJIRQBSA-N 0 0 683.677 4.654 50 0 KJAARN COc1c(I)cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc1I ZINC000150341809 291867944 /nfs/dbraw/zinc/86/79/44/291867944.db2.gz CTRBRDHEPJCPON-CYBMUJFWSA-N 0 0 790.899 4.860 50 0 biogenic,in-vitro KJAARN COc1cc([C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000150343528 571458998 /nfs/dbraw/zinc/45/89/98/571458998.db2.gz BNVMFCREHRTWMW-UMSFTDKQSA-N 0 0 650.736 4.703 50 0 KJAARN COc1cc([C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000150343531 571458993 /nfs/dbraw/zinc/45/89/93/571458993.db2.gz BNVMFCREHRTWMW-UUWRZZSWSA-N 0 0 650.736 4.703 50 0 KJAARN COC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000150345333 571459780 /nfs/dbraw/zinc/45/97/80/571459780.db2.gz BRVAQYBFHAIYLQ-CPCREDONSA-N 0 0 798.931 4.765 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)N(Cc2ccccc2C)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000150345875 571460152 /nfs/dbraw/zinc/46/01/52/571460152.db2.gz RPBWQPCLMQWQDE-YTTGMZPUSA-N 0 0 637.689 4.968 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)N(Cc2ccccc2C)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000150345876 571460167 /nfs/dbraw/zinc/46/01/67/571460167.db2.gz RPBWQPCLMQWQDE-JGCGQSQUSA-N 0 0 637.689 4.968 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)N(Cc2ccc(F)cc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000150345878 571460179 /nfs/dbraw/zinc/46/01/79/571460179.db2.gz QKOIZGHSYUPFFZ-WJOKGBTCSA-N 0 0 641.652 4.798 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)N(Cc2ccc(F)cc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1 ZINC000150345879 571460165 /nfs/dbraw/zinc/46/01/65/571460165.db2.gz QKOIZGHSYUPFFZ-HKBQPEDESA-N 0 0 641.652 4.798 50 0 KJAARN COc1ccc(CN(C(=O)CN2c3ccccc3C(=O)C2=O)[C@H](C(=O)Nc2ccc(OC)cc2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150345890 571460203 /nfs/dbraw/zinc/46/02/03/571460203.db2.gz CHNFVDVRGKLOJY-YTTGMZPUSA-N 0 0 653.688 4.668 50 0 KJAARN COc1ccc(CN(C(=O)CN2c3ccccc3C(=O)C2=O)[C@@H](C(=O)Nc2ccc(OC)cc2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150345892 571460213 /nfs/dbraw/zinc/46/02/13/571460213.db2.gz CHNFVDVRGKLOJY-JGCGQSQUSA-N 0 0 653.688 4.668 50 0 KJAARN COc1cc([C@@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2C)C(=O)CN2c3ccccc3C(=O)C2=O)cc(OC)c1OC ZINC000150345903 571460190 /nfs/dbraw/zinc/46/01/90/571460190.db2.gz NLSXUHCUQFTNTE-YTTGMZPUSA-N 0 0 651.672 4.688 50 0 KJAARN COc1cc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccccc2C)C(=O)CN2c3ccccc3C(=O)C2=O)cc(OC)c1OC ZINC000150345904 571460176 /nfs/dbraw/zinc/46/01/76/571460176.db2.gz NLSXUHCUQFTNTE-JGCGQSQUSA-N 0 0 651.672 4.688 50 0 KJAARN COc1cc([C@@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccc(F)cc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc(OC)c1OC ZINC000150345906 571460194 /nfs/dbraw/zinc/46/01/94/571460194.db2.gz BRSDPFIWRVEQMM-HKBQPEDESA-N 0 0 655.635 4.518 50 0 KJAARN COc1cc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2ccc(F)cc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc(OC)c1OC ZINC000150345907 571460215 /nfs/dbraw/zinc/46/02/15/571460215.db2.gz BRSDPFIWRVEQMM-WJOKGBTCSA-N 0 0 655.635 4.518 50 0 KJAARN COc1ccc(CN(C(=O)CN2c3ccccc3C(=O)C2=O)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)c2ccc(OC)c(OC)c2)cc1 ZINC000150345936 571460163 /nfs/dbraw/zinc/46/01/63/571460163.db2.gz IDEUZIBCJMFSJS-MGBGTMOVSA-N 0 0 636.705 4.717 50 0 KJAARN COc1ccc(CN(C(=O)CN2c3ccccc3C(=O)C2=O)[C@H](C(=O)Nc2ccc(N(C)C)cc2)c2ccc(OC)c(OC)c2)cc1 ZINC000150345937 571460231 /nfs/dbraw/zinc/46/02/31/571460231.db2.gz IDEUZIBCJMFSJS-XIFFEERXSA-N 0 0 636.705 4.717 50 0 KJAARN COc1cc([C@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc(OC)c1OC ZINC000150345939 571460198 /nfs/dbraw/zinc/46/01/98/571460198.db2.gz LVRWBYLTUGXYBH-JGCGQSQUSA-N 0 0 636.705 4.717 50 0 KJAARN COc1cc([C@@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc(OC)c1OC ZINC000150345942 571460272 /nfs/dbraw/zinc/46/02/72/571460272.db2.gz LVRWBYLTUGXYBH-YTTGMZPUSA-N 0 0 636.705 4.717 50 0 KJAARN COc1cc([C@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc(OC)c1OC ZINC000150345948 571460246 /nfs/dbraw/zinc/46/02/46/571460246.db2.gz WLJLCLRWYKNUBI-JGCGQSQUSA-N 0 0 654.695 4.856 50 0 KJAARN COc1cc([C@@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc(OC)c1OC ZINC000150345950 571460262 /nfs/dbraw/zinc/46/02/62/571460262.db2.gz WLJLCLRWYKNUBI-YTTGMZPUSA-N 0 0 654.695 4.856 50 0 KJAARN COc1ccc(CN(C(=O)CN2c3ccccc3C(=O)C2=O)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150345952 571460284 /nfs/dbraw/zinc/46/02/84/571460284.db2.gz HNOVEVASXMSVEJ-MGBGTMOVSA-N 0 0 666.731 4.725 50 0 KJAARN COc1ccc(CN(C(=O)CN2c3ccccc3C(=O)C2=O)[C@H](C(=O)Nc2ccc(N(C)C)cc2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150345953 571460319 /nfs/dbraw/zinc/46/03/19/571460319.db2.gz HNOVEVASXMSVEJ-XIFFEERXSA-N 0 0 666.731 4.725 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc3c(c2)OCO3)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150345980 571460297 /nfs/dbraw/zinc/46/02/97/571460297.db2.gz MSZDSIGZTUWAFI-YTTGMZPUSA-N 0 0 639.665 4.603 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150345982 571460329 /nfs/dbraw/zinc/46/03/29/571460329.db2.gz MSZDSIGZTUWAFI-JGCGQSQUSA-N 0 0 639.665 4.603 50 0 KJAARN COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000150346013 571460270 /nfs/dbraw/zinc/46/02/70/571460270.db2.gz JAVAJRHLGWRBRH-CHQNGUEUSA-N 0 0 750.771 4.689 50 0 KJAARN COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc2ccccc2c(OC)c1 ZINC000150346017 571460313 /nfs/dbraw/zinc/46/03/13/571460313.db2.gz PNGNMSAVHZWIIT-AFEGWXKPSA-N 0 0 694.829 4.726 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)Nc2ccc(N(C)C)cc2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150346060 571460327 /nfs/dbraw/zinc/46/03/27/571460327.db2.gz HZAAVHDLNMEPMH-MGBGTMOVSA-N 0 0 638.725 4.941 50 0 KJAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)Nc2ccc(N(C)C)cc2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150346063 571460252 /nfs/dbraw/zinc/46/02/52/571460252.db2.gz HZAAVHDLNMEPMH-XIFFEERXSA-N 0 0 638.725 4.941 50 0 KJAARN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(CSc3nc4sc5c(c4c(N)n3)CCC5)n2-c2ccccc2)n1 ZINC000150346101 571460292 /nfs/dbraw/zinc/46/02/92/571460292.db2.gz YWMUZPFSMWDWQL-UHFFFAOYSA-N 0 0 638.826 4.928 50 0 KJAARN COc1ccc(NC(=O)[C@@H](c2csnn2)N(Cc2ccc(C(F)(F)F)cc2)C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000150346513 571460478 /nfs/dbraw/zinc/46/04/78/571460478.db2.gz MXGNBLWGXWYEON-AREMUKBSSA-N 0 0 639.612 4.579 50 0 KJAARN COc1ccc(NC(=O)[C@H](c2csnn2)N(Cc2ccc(C(F)(F)F)cc2)C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000150346514 571460425 /nfs/dbraw/zinc/46/04/25/571460425.db2.gz MXGNBLWGXWYEON-SANMLTNESA-N 0 0 639.612 4.579 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000150346767 571460654 /nfs/dbraw/zinc/46/06/54/571460654.db2.gz OURLWUZTBIMTHX-LMSRTUJASA-N 0 0 637.508 4.616 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000150346771 571460647 /nfs/dbraw/zinc/46/06/47/571460647.db2.gz OURLWUZTBIMTHX-RISWYLRJSA-N 0 0 637.508 4.616 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000150346774 571460687 /nfs/dbraw/zinc/46/06/87/571460687.db2.gz VIJWRPYEHMVXEY-LMSRTUJASA-N 0 0 637.508 4.616 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000150346778 571460695 /nfs/dbraw/zinc/46/06/95/571460695.db2.gz VIJWRPYEHMVXEY-RISWYLRJSA-N 0 0 637.508 4.616 50 0 KJAARN COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3ncnc4NC(=O)c3ccccc3)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150346886 571460715 /nfs/dbraw/zinc/46/07/15/571460715.db2.gz QPHBEJADZCSKCY-GONXPTGJSA-N 0 0 673.726 4.724 50 0 in-vitro KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(Cl)c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000150349138 571461430 /nfs/dbraw/zinc/46/14/30/571461430.db2.gz XFPRTSHBZOALEM-GVZDMDPYSA-N 0 0 682.980 4.850 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc(Br)c(Cl)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000150349139 571461467 /nfs/dbraw/zinc/46/14/67/571461467.db2.gz XFPRTSHBZOALEM-KWXRMHBDSA-N 0 0 682.980 4.850 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000150349142 571461464 /nfs/dbraw/zinc/46/14/64/571461464.db2.gz BBNXWUOFCXFGSJ-NAIWQIQESA-N 0 0 646.563 4.805 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cc(C)c(C)cc4Br)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000150349144 571461393 /nfs/dbraw/zinc/46/13/93/571461393.db2.gz BBNXWUOFCXFGSJ-YIECNSLDSA-N 0 0 646.563 4.805 50 0 KJAARN CC(C)(c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)c(O)c1)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)c(O)c1 ZINC000150353247 571462718 /nfs/dbraw/zinc/46/27/18/571462718.db2.gz LIFVTZBVBUTUAH-UHFFFAOYSA-N 0 0 694.803 4.837 50 0 KJAARN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000150353626 571462779 /nfs/dbraw/zinc/46/27/79/571462779.db2.gz GVCQJFROALCJKG-OYKKKHCWSA-N 0 0 713.600 4.639 50 0 KJAARN CC(C)(Br)C(=O)OCC(COC(=O)C(C)(C)Br)(COC(=O)C(C)(C)Br)COC(=O)C(C)(C)Br ZINC000150353754 571462897 /nfs/dbraw/zinc/46/28/97/571462897.db2.gz QEVWEWLNSORHNP-UHFFFAOYSA-N 0 0 732.095 4.840 50 0 KJAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc(OC)c2N(C(=O)Cc2ccccc2)C1(C)C ZINC000150353861 571462875 /nfs/dbraw/zinc/46/28/75/571462875.db2.gz PNJLPPPRNYDMLA-UHFFFAOYSA-N 0 0 697.809 4.855 50 0 KJAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc(OC)c2N(C(=O)c2cccc(OC)c2)C1(C)C ZINC000150356250 571463190 /nfs/dbraw/zinc/46/31/90/571463190.db2.gz RUMSNPXUZDKCTR-UHFFFAOYSA-N 0 0 713.808 4.935 50 0 KJAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(OC)ccc2N(C(=O)Cc2ccccc2)C1(C)C ZINC000150356362 571463254 /nfs/dbraw/zinc/46/32/54/571463254.db2.gz RMFJEKNGPIAOSH-UHFFFAOYSA-N 0 0 697.809 4.855 50 0 KJAARN CC(=O)OC[C@H]1O[C@H](Oc2c(Br)c(Br)c(Br)c(Br)c2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000150356537 571463274 /nfs/dbraw/zinc/46/32/74/571463274.db2.gz JPPAKMFFUDTJSF-CKXFATBHSA-N 0 0 818.882 4.961 50 0 KJAARN CC[C@@H](C)C(=O)N1c2ccc(OC)cc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C ZINC000150358478 571463464 /nfs/dbraw/zinc/46/34/64/571463464.db2.gz ZWKFAPJCAPZURQ-CQSZACIVSA-N 0 0 663.792 4.658 50 0 KJAARN CC[C@H](C)C(=O)N1c2ccc(OC)cc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C ZINC000150358480 571463527 /nfs/dbraw/zinc/46/35/27/571463527.db2.gz ZWKFAPJCAPZURQ-AWEZNQCLSA-N 0 0 663.792 4.658 50 0 KJAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(C)c(C)cc2N(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C ZINC000150360860 571463761 /nfs/dbraw/zinc/46/37/61/571463761.db2.gz GREHMNDCUVWQEZ-UHFFFAOYSA-N 0 0 764.856 4.517 50 0 KJAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc(OC)c2N(C(=O)c2ccc(OC)cc2)C1(C)C ZINC000150361306 571463805 /nfs/dbraw/zinc/46/38/05/571463805.db2.gz GVRFJKUQQRIPCE-UHFFFAOYSA-N 0 0 713.808 4.935 50 0 KJAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000150367674 571465128 /nfs/dbraw/zinc/46/51/28/571465128.db2.gz LXKFWDNLLKDWAS-CRXYYGHGSA-N 0 0 639.679 4.556 50 0 KJAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000150367677 571465127 /nfs/dbraw/zinc/46/51/27/571465127.db2.gz LXKFWDNLLKDWAS-XNFLFYSQSA-N 0 0 639.679 4.556 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1 ZINC000150367799 571465081 /nfs/dbraw/zinc/46/50/81/571465081.db2.gz IVOLWIREBKGSHN-UHFFFAOYSA-N 0 0 674.808 4.640 50 0 KJAARN Cc1c(NC(=O)c2cc(I)c(I)c(I)c2)c(=O)n(-c2ccccc2)n1C ZINC000150368554 571465428 /nfs/dbraw/zinc/46/54/28/571465428.db2.gz QTQITJLMGVQZOC-UHFFFAOYSA-N 0 0 685.041 4.551 50 0 KJAARN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150380852 571466957 /nfs/dbraw/zinc/46/69/57/571466957.db2.gz WXJKGOQQYUVNQW-YDXJMRNDSA-N 0 0 663.727 4.795 50 0 KJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(C)c1 ZINC000150385158 571468695 /nfs/dbraw/zinc/46/86/95/571468695.db2.gz ANSSQQDDVJWVDR-UHFFFAOYSA-N 0 0 680.853 4.858 50 0 KJAARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000150385511 571468876 /nfs/dbraw/zinc/46/88/76/571468876.db2.gz XWGREDFFIRGWCQ-KBKYJPHKSA-N 0 0 765.588 4.993 50 0 KJAARN NC(=O)C1=C(N)S[C@@]23CCCC[C@@]12Oc1c(Br)c(Br)c(Br)c(Br)c1O3 ZINC000150385741 571468928 /nfs/dbraw/zinc/46/89/28/571468928.db2.gz ITEJAWZFTFSRMP-CABCVRRESA-N 0 0 619.955 4.919 50 0 KJAARN NC(=O)C1=C(N)S[C@]23CCCC[C@@]12Oc1c(Br)c(Br)c(Br)c(Br)c1O3 ZINC000150385742 571468930 /nfs/dbraw/zinc/46/89/30/571468930.db2.gz ITEJAWZFTFSRMP-HUUCEWRRSA-N 0 0 619.955 4.919 50 0 KJAARN NC(=O)C1=C(N)S[C@@]23CCCC[C@]12Oc1c(Br)c(Br)c(Br)c(Br)c1O3 ZINC000150385743 571468994 /nfs/dbraw/zinc/46/89/94/571468994.db2.gz ITEJAWZFTFSRMP-GJZGRUSLSA-N 0 0 619.955 4.919 50 0 KJAARN NC(=O)C1=C(N)S[C@]23CCCC[C@]12Oc1c(Br)c(Br)c(Br)c(Br)c1O3 ZINC000150385744 571468970 /nfs/dbraw/zinc/46/89/70/571468970.db2.gz ITEJAWZFTFSRMP-LSDHHAIUSA-N 0 0 619.955 4.919 50 0 KJAARN CCOc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cc(OC)ccc2OC)cc(OCC)c1OCC ZINC000150387561 571470163 /nfs/dbraw/zinc/47/01/63/571470163.db2.gz CYMCNTJIEGMNPN-UHFFFAOYSA-N 0 0 642.760 4.598 50 0 KJAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1-c1cccc(C(F)(F)F)c1)Nc1nccs1 ZINC000150387566 571470183 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CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2-c2ccc(OCC)cc2)c(C(=O)OCC)c1C ZINC000150389849 571472069 /nfs/dbraw/zinc/47/20/69/571472069.db2.gz GJWCUTYKIJCYHH-UHFFFAOYSA-N 0 0 695.820 4.988 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2Cc2ccccc2)c(C(=O)OCC)c1C ZINC000150389855 571472076 /nfs/dbraw/zinc/47/20/76/571472076.db2.gz QQBFGDDPLYVSAL-UHFFFAOYSA-N 0 0 665.794 4.648 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)Cc3ccc(OC)cc3)n1-c1ccccc1OC)CCCC2 ZINC000150389856 571472064 /nfs/dbraw/zinc/47/20/64/571472064.db2.gz XTCWVPARYZCFFN-UHFFFAOYSA-N 0 0 649.795 4.991 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)Cc3ccc(OC)cc3)n1-c1ccccc1OC)CCC2 ZINC000150389861 571472060 /nfs/dbraw/zinc/47/20/60/571472060.db2.gz XHABCKUGRUNASB-UHFFFAOYSA-N 0 0 635.768 4.601 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2-c2ccccc2OC)c(C(=O)OCC)c1C ZINC000150389868 571472077 /nfs/dbraw/zinc/47/20/77/571472077.db2.gz LKKKXGGYCSPGBZ-UHFFFAOYSA-N 0 0 681.793 4.598 50 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639.731 4.811 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2-c2cccc(C)c2)c(C(=O)OCC)c1C ZINC000150390109 571472423 /nfs/dbraw/zinc/47/24/23/571472423.db2.gz NGGKSLOMHKHIIB-UHFFFAOYSA-N 0 0 651.767 4.968 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2-c2ccccc2OC)c(C(=O)OCC)c1C ZINC000150390123 571472384 /nfs/dbraw/zinc/47/23/84/571472384.db2.gz KRRKOYMIKBJASC-UHFFFAOYSA-N 0 0 651.767 4.968 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2-c2ccc(F)cc2)c(C(=O)OCC)c1C ZINC000150390127 571472449 /nfs/dbraw/zinc/47/24/49/571472449.db2.gz KNOJOXHNRMBWRT-UHFFFAOYSA-N 0 0 685.756 4.808 50 0 KJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cc(OC)cc(OC)c3)n1Cc1ccccc1)CCC2 ZINC000150390151 571472395 /nfs/dbraw/zinc/47/23/95/571472395.db2.gz KDOCGOYCQWUIGM-UHFFFAOYSA-N 0 0 635.768 4.731 50 0 KJAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2Cc2ccccc2)c(C(=O)OCC)c1C ZINC000150390159 571472428 /nfs/dbraw/zinc/47/24/28/571472428.db2.gz 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ZINC000150403559 571478787 /nfs/dbraw/zinc/47/87/87/571478787.db2.gz RSJOLSIGQUCQHN-GCJKJVERSA-N 0 0 689.519 4.905 50 0 KJAARN COC(=O)c1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000150403668 571478849 /nfs/dbraw/zinc/47/88/49/571478849.db2.gz BSDWGMVTHDLSDM-QPPBQGQZSA-N 0 0 652.704 4.789 50 0 KJAARN COc1ccccc1N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)CC1 ZINC000150404865 571479039 /nfs/dbraw/zinc/47/90/39/571479039.db2.gz KLXXKRWUIXVYPF-NAKRPHOHSA-N 0 0 693.801 4.721 50 0 KJAARN COc1cc(OC)cc(C(=O)Nc2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000150404877 571479266 /nfs/dbraw/zinc/47/92/66/571479266.db2.gz NYSYHSBEJGTVDN-NAKRPHOHSA-N 0 0 663.775 4.713 50 0 KJAARN COc1cc(C(=O)Nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000150405453 571479297 /nfs/dbraw/zinc/47/92/97/571479297.db2.gz HCLGDMOUYCMYJP-SQHAQQRYSA-N 0 0 681.765 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571479723 /nfs/dbraw/zinc/47/97/23/571479723.db2.gz SMXVZNWDYCIHJT-UHFFFAOYSA-N 0 0 676.472 4.521 50 0 KJAARN COc1ccc(C(c2c(O)n(-c3ccccc3)c(=S)n(C)c2=O)c2c(O)n(-c3ccccc3)c(=S)n(C)c2=O)cc1CN1CCOCC1 ZINC000150406565 571479885 /nfs/dbraw/zinc/47/98/85/571479885.db2.gz ZFFZVNSBKQTWPA-HHHXNRCGSA-N 0 0 685.828 4.557 50 0 KJAARN COc1ccc(C(c2c(O)n(-c3ccccc3)c(=S)n(C)c2=O)c2c(O)n(-c3ccccc3)c(=S)n(C)c2=O)cc1CN1CCOCC1 ZINC000150406570 571479867 /nfs/dbraw/zinc/47/98/67/571479867.db2.gz ZFFZVNSBKQTWPA-MHZLTWQESA-N 0 0 685.828 4.557 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000150407081 571480055 /nfs/dbraw/zinc/48/00/55/571480055.db2.gz LKQVYGHINYTUQX-ZMUHTPIZSA-N 0 0 626.754 4.985 50 0 KJAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000150407084 571480016 /nfs/dbraw/zinc/48/00/16/571480016.db2.gz LKQVYGHINYTUQX-OLROSQPISA-N 0 0 626.754 4.985 50 0 KJAARN CCN(CC)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000150407889 571480388 /nfs/dbraw/zinc/48/03/88/571480388.db2.gz ZMAGQECROWEEIJ-UHFFFAOYSA-N 0 0 685.869 4.606 50 0 KJAARN CCN(CC)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000150407896 571480456 /nfs/dbraw/zinc/48/04/56/571480456.db2.gz LQWYRRNARYSFOU-UHFFFAOYSA-N 0 0 685.869 4.606 50 0 KJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)ccc1Cl ZINC000150407986 571480612 /nfs/dbraw/zinc/48/06/12/571480612.db2.gz UGISJVPICQIIDJ-UHFFFAOYSA-N 0 0 641.599 4.914 50 0 KJAARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1OC ZINC000150408055 571480518 /nfs/dbraw/zinc/48/05/18/571480518.db2.gz KVSJNOKZFQNSRH-DEOSSOPVSA-N 0 0 649.571 4.995 50 0 KJAARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1OC ZINC000150408062 571480602 /nfs/dbraw/zinc/48/06/02/571480602.db2.gz KVSJNOKZFQNSRH-XMMPIXPASA-N 0 0 649.571 4.995 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)C3)cc21 ZINC000150409159 571481406 /nfs/dbraw/zinc/48/14/06/571481406.db2.gz MUXKIAJPQLFFOZ-FQEVSTJZSA-N 0 0 657.553 4.517 50 0 KJAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)C3)cc21 ZINC000150409163 571481423 /nfs/dbraw/zinc/48/14/23/571481423.db2.gz MUXKIAJPQLFFOZ-HXUWFJFHSA-N 0 0 657.553 4.517 50 0 KJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccc(I)cc1C ZINC000150409347 571481557 /nfs/dbraw/zinc/48/15/57/571481557.db2.gz VKCIWBRPNDVHBS-UHFFFAOYSA-N 0 0 630.464 4.913 50 0 KJAARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c1OC ZINC000150409385 571481664 /nfs/dbraw/zinc/48/16/64/571481664.db2.gz XYQIDAWRQRDCGP-NRFANRHFSA-N 0 0 639.532 4.588 50 0 KJAARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c1OC ZINC000150409390 571481686 /nfs/dbraw/zinc/48/16/86/571481686.db2.gz XYQIDAWRQRDCGP-OAQYLSRUSA-N 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/nfs/dbraw/zinc/48/23/86/571482386.db2.gz IIHIKHFIGKIIMD-SANMLTNESA-N 0 0 649.571 4.995 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2C)cc1 ZINC000150410015 571482399 /nfs/dbraw/zinc/48/23/99/571482399.db2.gz IIHIKHFIGKIIMD-AREMUKBSSA-N 0 0 649.571 4.995 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2C)cc1 ZINC000150410216 571482607 /nfs/dbraw/zinc/48/26/07/571482607.db2.gz OOYKGKMVORQCSW-SANMLTNESA-N 0 0 649.571 4.751 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2C)cc1 ZINC000150410218 571482534 /nfs/dbraw/zinc/48/25/34/571482534.db2.gz OOYKGKMVORQCSW-AREMUKBSSA-N 0 0 649.571 4.751 50 0 KJAARN COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2C)c1OC ZINC000150410222 571482603 /nfs/dbraw/zinc/48/26/03/571482603.db2.gz ANGZQPGPIDZOCG-VWLOTQADSA-N 0 0 679.597 4.760 50 0 KJAARN COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2C)c1OC ZINC000150410224 571482558 /nfs/dbraw/zinc/48/25/58/571482558.db2.gz ANGZQPGPIDZOCG-RUZDIDTESA-N 0 0 679.597 4.760 50 0 KJAARN COc1ccc([C@H](C2C(=O)NC(=O)[C@H](c3ccccc3C)C2=O)C2C(=O)NC(=O)[C@@H](c3ccccc3C)C2=O)cc1CN1CCCCC1 ZINC000150410823 571483255 /nfs/dbraw/zinc/48/32/55/571483255.db2.gz KJDZQDWJLIENTB-BQRNWKATSA-N 0 0 649.744 4.886 50 0 KJAARN COc1ccc(C(C2C(=O)NC(=O)[C@@H](c3ccccc3C)C2=O)C2C(=O)NC(=O)[C@@H](c3ccccc3C)C2=O)cc1CN1CCCCC1 ZINC000150410826 571483303 /nfs/dbraw/zinc/48/33/03/571483303.db2.gz KJDZQDWJLIENTB-KYJUHHDHSA-N 0 0 649.744 4.886 50 0 KJAARN COc1ccc([C@H](C2C(=O)NC(=O)[C@H](c3ccc(C)cc3)C2=O)C2C(=O)NC(=O)[C@@H](c3ccc(C)cc3)C2=O)cc1CN1CCCCC1 ZINC000150410991 571483457 /nfs/dbraw/zinc/48/34/57/571483457.db2.gz PTNOMTMZMWBHOP-BQRNWKATSA-N 0 0 649.744 4.886 50 0 KJAARN COc1ccc(C(C2C(=O)NC(=O)[C@@H](c3ccc(C)cc3)C2=O)C2C(=O)NC(=O)[C@@H](c3ccc(C)cc3)C2=O)cc1CN1CCCCC1 ZINC000150410997 571483401 /nfs/dbraw/zinc/48/34/01/571483401.db2.gz PTNOMTMZMWBHOP-KYJUHHDHSA-N 0 0 649.744 4.886 50 0 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O=S(=O)(c1ccc(OC[C@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1)c1ccc(OC[C@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000150421592 571487745 /nfs/dbraw/zinc/48/77/45/571487745.db2.gz VRRVNGGSHYFJJE-OROIMLOLSA-N 0 0 767.005 4.661 50 0 KJAARN Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000150422057 571488052 /nfs/dbraw/zinc/48/80/52/571488052.db2.gz MXZYIYYNHWIZII-UHFFFAOYSA-N 0 0 652.154 4.992 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(F)c(Cl)c4)c3=O)cc2)cc1OC ZINC000150422420 571488209 /nfs/dbraw/zinc/48/82/09/571488209.db2.gz BXKGYLXGGKGBFD-UHFFFAOYSA-N 0 0 645.087 4.632 50 0 KJAARN COc1ccc(CNC(=O)CCCCCn2c(=O)c3cc4c(cc3nc2SCC(=O)Nc2ccc(OC)cc2OC)OCO4)cc1 ZINC000150423875 571489005 /nfs/dbraw/zinc/48/90/05/571489005.db2.gz MCADVDZTPWUHQR-UHFFFAOYSA-N 0 0 648.738 4.759 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)NCc3ccc5c(c3)OCO5)cc2)OCO4)c(OC)c1 ZINC000150423885 571489015 /nfs/dbraw/zinc/48/90/15/571489015.db2.gz 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571499805 /nfs/dbraw/zinc/49/98/05/571499805.db2.gz FXPQRUZKMMKNLW-JGCGQSQUSA-N 0 0 684.771 4.943 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4cc5c(cc4nc3SCC(=O)NCc3ccccc3)OCO5)cc2)cc1OC ZINC000150444834 571499855 /nfs/dbraw/zinc/49/98/55/571499855.db2.gz LLMJMQJBQPNBJP-UHFFFAOYSA-N 0 0 666.756 4.572 50 0 KJAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4cc5c(cc4nc3SCC(=O)NCc3ccc(C)cc3)OCO5)cc2)cc1OC ZINC000150444844 571499966 /nfs/dbraw/zinc/49/99/66/571499966.db2.gz DOGHYMIBHVFCIS-UHFFFAOYSA-N 0 0 680.783 4.880 50 0 KJAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1)OCO3)C(=O)NCc1cccnc1 ZINC000150444856 571499932 /nfs/dbraw/zinc/49/99/32/571499932.db2.gz CSQLANKFTUJNDL-XIFFEERXSA-N 0 0 695.798 4.745 50 0 KJAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1)OCO3)C(=O)NCc1cccnc1 ZINC000150444862 571499960 /nfs/dbraw/zinc/49/99/60/571499960.db2.gz CSQLANKFTUJNDL-MGBGTMOVSA-N 0 0 695.798 4.745 50 0 KJAARN 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IXXZPYXQHWYOFT-PMERELPUSA-N 0 0 676.748 4.520 50 0 KJAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3)C(=O)Nc1ccc2c(c1)OCO2 ZINC000150445254 571500161 /nfs/dbraw/zinc/50/01/61/571500161.db2.gz IXXZPYXQHWYOFT-SSEXGKCCSA-N 0 0 676.748 4.520 50 0 KJAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)C(=O)NCc1ccco1 ZINC000150445309 571500346 /nfs/dbraw/zinc/50/03/46/571500346.db2.gz JMLLPUXMMYZAJH-YTTGMZPUSA-N 0 0 665.772 4.916 50 0 KJAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)C(=O)NCc1ccco1 ZINC000150445315 571500456 /nfs/dbraw/zinc/50/04/56/571500456.db2.gz JMLLPUXMMYZAJH-JGCGQSQUSA-N 0 0 665.772 4.916 50 0 KJAARN Cc1ccc(CNC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)N3CCN(c5ccccc5)CC3)cc2)OCO4)cc1 ZINC000150445501 571500602 /nfs/dbraw/zinc/50/06/02/571500602.db2.gz RYJDCMKIPVAIFR-UHFFFAOYSA-N 0 0 661.784 4.853 50 0 KJAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)C(=O)NCc1cccnc1 ZINC000150445506 571500758 /nfs/dbraw/zinc/50/07/58/571500758.db2.gz NVRBQFOTPBAAKQ-XIFFEERXSA-N 0 0 676.799 4.718 50 0 KJAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)C(=O)NCc1cccnc1 ZINC000150445510 571500681 /nfs/dbraw/zinc/50/06/81/571500681.db2.gz NVRBQFOTPBAAKQ-MGBGTMOVSA-N 0 0 676.799 4.718 50 0 KJAARN COc1ccccc1NC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3 ZINC000150445520 571500669 /nfs/dbraw/zinc/50/06/69/571500669.db2.gz OEWHMADIPKBKPK-UHFFFAOYSA-N 0 0 663.756 4.875 50 0 KJAARN COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)N3CCN(c5ccccc5)CC3)cc2)OCO4)cc1 ZINC000150445535 571500766 /nfs/dbraw/zinc/50/07/66/571500766.db2.gz HJKMHGQTMPUUBD-UHFFFAOYSA-N 0 0 663.756 4.875 50 0 KJAARN CN(c1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccc(N(C)S(=O)(=O)c4cccs4)cc3)n2)cc1)S(=O)(=O)c1cccs1 ZINC000150446298 571500973 /nfs/dbraw/zinc/50/09/73/571500973.db2.gz NFWKHAKQYKKMFZ-UHFFFAOYSA-N 0 0 727.868 4.890 50 0 KJAARN 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COc1ccc2[nH]cc(CCNC(=O)CCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c2c1 ZINC000150653745 571526193 /nfs/dbraw/zinc/52/61/93/571526193.db2.gz OCVXWUJFVJSMBP-LJAQVGFWSA-N 0 0 642.753 4.904 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@@H](CC(C)C)c3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653754 571526212 /nfs/dbraw/zinc/52/62/12/571526212.db2.gz VUUBYMFYNQBUJJ-OICBGKIFSA-N 0 0 642.757 4.610 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653778 571526392 /nfs/dbraw/zinc/52/63/92/571526392.db2.gz BJHGCTNHKSQPSO-XCZPVHLTSA-N 0 0 698.883 4.912 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc4c(c3)OCO4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653784 571526270 /nfs/dbraw/zinc/52/62/70/571526270.db2.gz LIDRZWHCAFXAAU-ZCYQVOJMSA-N 0 0 635.739 4.764 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCn1cnc2ccccc21 ZINC000150653795 571526281 /nfs/dbraw/zinc/52/62/81/571526281.db2.gz OJEFULBGPFRHRB-UNFOWLHKSA-N 0 0 641.769 4.856 50 0 KJAARN COc1ccc(CN2CCN(C(=O)[C@@H](Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)C(C)C)CC2)c(OC)c1OC ZINC000150653797 571526359 /nfs/dbraw/zinc/52/63/59/571526359.db2.gz LATOODWWVGAHQU-YTWZBVJHSA-N 0 0 732.875 4.670 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CCN(CCc4ccncc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653811 571526313 /nfs/dbraw/zinc/52/63/13/571526313.db2.gz LJQGBMYDWHGODB-HKBQPEDESA-N 0 0 671.839 4.617 50 0 KJAARN COc1cc(NC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc(OC)c1OC ZINC000150653819 571526420 /nfs/dbraw/zinc/52/64/20/571526420.db2.gz GVFWITMNQRUDFS-DLLPINGYSA-N 0 0 649.741 4.964 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCc3nc4ccccc4n3C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653822 571526353 /nfs/dbraw/zinc/52/63/53/571526353.db2.gz XALHCNFDLCSCHT-WNJJXGMVSA-N 0 0 655.796 4.935 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000150653826 571526408 /nfs/dbraw/zinc/52/64/08/571526408.db2.gz BOYPMCVOEHOKMU-OUZRWCOESA-N 0 0 666.816 4.769 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@@H](CCSC)c3nnc4ccccn43)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653827 571526301 /nfs/dbraw/zinc/52/63/01/571526301.db2.gz MUVPNHVIOLYROY-AMIUEWMLSA-N 0 0 688.851 4.953 50 0 KJAARN COc1ccc(CCNC(=O)[C@H](CCSC)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 ZINC000150653850 571526373 /nfs/dbraw/zinc/52/63/73/571526373.db2.gz FBXPQFXKTAXTPO-YTMVLYRLSA-N 0 0 649.810 4.764 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653873 571526417 /nfs/dbraw/zinc/52/64/17/571526417.db2.gz UQAVXBXWJWRLHR-SMCANUKXSA-N 0 0 674.864 4.741 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653895 571526307 /nfs/dbraw/zinc/52/63/07/571526307.db2.gz NXDKBZKZUAESHJ-PMERELPUSA-N 0 0 695.817 4.957 50 0 KJAARN CC(C)[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H](Cc2ccccc2)N(C)C1=O ZINC000150655180 562848968 /nfs/dbraw/zinc/84/89/68/562848968.db2.gz GYSCAQFHASJXRS-IFATVDFYSA-N 0 0 783.963 4.913 50 0 in-vitro KJAARN CC(C)[C@H]1OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000150655181 562848967 /nfs/dbraw/zinc/84/89/67/562848967.db2.gz GYSCAQFHASJXRS-WHYNUWQDSA-N 0 0 783.963 4.913 50 0 in-vitro KJAARN CC(C)[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000150655184 562848989 /nfs/dbraw/zinc/84/89/89/562848989.db2.gz GYSCAQFHASJXRS-BGBFCPIGSA-N 0 0 783.963 4.913 50 0 in-vitro KJAARN COC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000150655408 571526707 /nfs/dbraw/zinc/52/67/07/571526707.db2.gz GLAHUWPDLZEUTO-LJAQVGFWSA-N 0 0 662.809 4.989 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000150656344 571526872 /nfs/dbraw/zinc/52/68/72/571526872.db2.gz ASKBTZIWPQXAHJ-OYUWMTPXSA-N 0 0 676.725 4.839 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000150656345 571526876 /nfs/dbraw/zinc/52/68/76/571526876.db2.gz ASKBTZIWPQXAHJ-ZONZVBGPSA-N 0 0 676.725 4.839 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)/C=C/c4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000150656529 571526984 /nfs/dbraw/zinc/52/69/84/571526984.db2.gz DTAZMLQXZCOWSY-ZAIBENJVSA-N 0 0 646.677 4.839 50 0 KJAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)/C=C/c4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000150656531 571527011 /nfs/dbraw/zinc/52/70/11/571527011.db2.gz DTAZMLQXZCOWSY-GGKDFSLASA-N 0 0 646.677 4.839 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000150656762 571527043 /nfs/dbraw/zinc/52/70/43/571527043.db2.gz AAYYNCIIYJVLAB-QNWVGRARSA-N 0 0 659.511 4.938 50 0 KJAARN CCOC(=O)c1sc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Br)c(O)c(OCC)c4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000150656764 571527055 /nfs/dbraw/zinc/52/70/55/571527055.db2.gz AAYYNCIIYJVLAB-FUPPJEDESA-N 0 0 659.511 4.938 50 0 KJAARN COC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)C(=O)OCC(=O)Nc2sc4c(c2C(=O)OC)CC[C@H](C)C4)C3=O)sc2c1CC[C@H](C)C2 ZINC000150661900 571527539 /nfs/dbraw/zinc/52/75/39/571527539.db2.gz SMSMLBQQSKZXRH-GBESFXJTSA-N 0 0 793.873 4.594 50 0 KJAARN COC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)C(=O)OCC(=O)Nc2sc4c(c2C(=O)OC)CC[C@H](C)C4)C3=O)sc2c1CC[C@@H](C)C2 ZINC000150661902 571527523 /nfs/dbraw/zinc/52/75/23/571527523.db2.gz SMSMLBQQSKZXRH-IPMKNSEASA-N 0 0 793.873 4.594 50 0 KJAARN O=C(Nc1nc(=O)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1F)c1ccccc1 ZINC000150662459 571527751 /nfs/dbraw/zinc/52/77/51/571527751.db2.gz NISAZOWHBNOMAT-SAHGSRCJSA-N 0 0 677.641 4.840 50 0 KJAARN COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](NC(=O)[C@H](CSCNC(C)=O)NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)[C@H](C)OC(C)(C)C ZINC000150662547 571527868 /nfs/dbraw/zinc/52/78/68/571527868.db2.gz LJOBHNRVNVIBPX-QOTGBRPGSA-N 0 0 744.952 4.672 50 0 KJAARN COCCO[C@@H]1[C@@H](OCCOCc2ccccc2)[C@H](OCCOCc2ccccc2)[C@@H](OCCOC)[C@H](OCCOC)[C@H]1OCCOCc1ccccc1 ZINC000150663741 571528293 /nfs/dbraw/zinc/52/82/93/571528293.db2.gz FGWZXRROWAYHDJ-CRJHUGKGSA-N 0 0 756.930 4.901 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N(C(=O)c2cccc(Br)c2)N[C@@H]3c2cc(Br)ccc2OC)cc1 ZINC000150664104 571528468 /nfs/dbraw/zinc/52/84/68/571528468.db2.gz OXTBWQHAKSYZED-WXFUMESZSA-N 0 0 629.305 4.879 50 0 KJAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(=O)OC)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O ZINC000150671655 571528748 /nfs/dbraw/zinc/52/87/48/571528748.db2.gz UKPWJZPJONEFGZ-BIWBSIMWSA-N 0 0 664.521 4.814 50 0 KJAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(=O)OC)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1O ZINC000150671656 571528893 /nfs/dbraw/zinc/52/88/93/571528893.db2.gz UKPWJZPJONEFGZ-ZGOFBEGVSA-N 0 0 664.521 4.814 50 0 KJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc4ccccc4cc3NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1 ZINC000150681620 571528873 /nfs/dbraw/zinc/52/88/73/571528873.db2.gz CQWWVMJZBYEKBO-YOXCBORPSA-N 0 0 720.870 4.940 50 0 KJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(OC(F)(F)F)cc2)[C@H]1C ZINC000150686161 571529027 /nfs/dbraw/zinc/52/90/27/571529027.db2.gz HHASCYNCVMYBGS-OHUGHZGNSA-N 0 0 653.749 4.887 50 0 KJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(OC(F)(F)F)cc2)[C@H]1C ZINC000150686163 571529053 /nfs/dbraw/zinc/52/90/53/571529053.db2.gz HHASCYNCVMYBGS-RNHFSVANSA-N 0 0 653.749 4.887 50 0 KJAARN COc1cc(/C=C\C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000158414566 1067139202 /nfs/dbraw/zinc/13/92/02/1067139202.db2.gz FBFRKBCRSPCZEG-SQFISAMPSA-N 0 0 639.796 4.980 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C\c2ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c2)c1 ZINC000158419745 1067139185 /nfs/dbraw/zinc/13/91/85/1067139185.db2.gz QZTLRLANRGGTNQ-PTNGSMBKSA-N 0 0 657.811 4.599 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C=C\c2cc(OC)c(OC)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000158443875 1067139111 /nfs/dbraw/zinc/13/91/11/1067139111.db2.gz OXWLPUXDZDLDHA-SSZFMOIBSA-N 0 0 668.838 4.738 50 0 KJAARN COc1cc(/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000158615200 571529719 /nfs/dbraw/zinc/52/97/19/571529719.db2.gz YVMVUKKSUUDWGK-XFFZJAGNSA-N 0 0 684.711 4.694 50 0 KJAARN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc5C4)c3)C2=O)cc1OC ZINC000158653623 571529673 /nfs/dbraw/zinc/52/96/73/571529673.db2.gz AMIPIZHBJINPRS-WPWMEQJKSA-N 0 0 656.182 4.961 50 0 KJAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000158688523 1066217891 /nfs/dbraw/zinc/21/78/91/1066217891.db2.gz YTFUSLJZGODPGM-QINSGFPZSA-N 0 0 655.795 4.680 50 0 KJAARN CCOC(=O)[C@H]1[C@@H](C(=O)OCC)[C@@H](C(=O)OCC)C(c2ccccc2)(c2ccccc2)N1c1ccccc1 ZINC000169463857 571553487 /nfs/dbraw/zinc/55/34/87/571553487.db2.gz KSVLMHVCWZVZDU-GMQQYTKMSA-N 0 0 515.606 4.741 50 0 KJAARN Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)N1[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3[C@@H](c3ccccc3)N21 ZINC000169617007 571553810 /nfs/dbraw/zinc/55/38/10/571553810.db2.gz MXMUZKZWMUCQNP-IRTCKRRLSA-N 0 0 582.660 4.748 50 0 KJAARN Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)N1[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3[C@@H](c3ccccc3)N21 ZINC000169617009 571553727 /nfs/dbraw/zinc/55/37/27/571553727.db2.gz MXMUZKZWMUCQNP-ZSGYJWGQSA-N 0 0 582.660 4.748 50 0 KJAARN COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@@H](C)O)cc4)c3N2)cc(OC)c1OC ZINC000169619786 571554145 /nfs/dbraw/zinc/55/41/45/571554145.db2.gz TWHFVTXZZJWQBI-MPKWNAGQSA-N 0 0 520.508 4.875 50 0 KJAARN O=C1[C@@H]2ON(c3ccc(Br)cc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000169620956 571554441 /nfs/dbraw/zinc/55/44/41/571554441.db2.gz QWVYWZXTRYISRT-SLFFLAALSA-N 0 0 518.289 4.914 50 0 KJAARN 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 ZINC000169647947 565205149 /nfs/dbraw/zinc/20/51/49/565205149.db2.gz XDHNQDDQEHDUTM-JQWOJBOSSA-N 0 0 622.840 4.693 50 0 biogenic,in-vivo KJAARN O=C([C@@H]1Cc2ccccc2N2CCN(c3ccccc3)C[C@@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000169677201 571554845 /nfs/dbraw/zinc/55/48/45/571554845.db2.gz DQEGEBFBZKSGBN-IAPPQJPRSA-N 0 0 520.599 4.922 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4ccccc4Cl)C[C@@H]23)cc1OC ZINC000169677202 571554829 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ZXLCILVQXQKEKX-CCLHPLFOSA-N 0 0 506.647 4.908 50 0 KJAARN COc1cccc(NC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000169680837 571557014 /nfs/dbraw/zinc/55/70/14/571557014.db2.gz WLRDEZBETMPNGR-UZTOHYMASA-N 0 0 522.646 4.608 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000169680843 571556979 /nfs/dbraw/zinc/55/69/79/571556979.db2.gz MWRUVEPUGSTJLS-PZGXJGMVSA-N 0 0 501.696 4.940 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000169680851 571556942 /nfs/dbraw/zinc/55/69/42/571556942.db2.gz LASBGOTXSQHRTQ-PZGXJGMVSA-N 0 0 501.696 4.940 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000169680868 571557284 /nfs/dbraw/zinc/55/72/84/571557284.db2.gz QOTJJZOGZBEEPZ-KCWXNJEJSA-N 0 0 517.695 4.640 50 0 KJAARN COc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680876 571557103 /nfs/dbraw/zinc/55/71/03/571557103.db2.gz SOZXPTMKMWYRBL-WKRVVKTRSA-N 0 0 575.756 4.779 50 0 KJAARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000169680906 571557306 /nfs/dbraw/zinc/55/73/06/571557306.db2.gz LIHAPFGHEHDVAF-CCLHPLFOSA-N 0 0 544.142 4.579 50 0 KJAARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000169680907 571557106 /nfs/dbraw/zinc/55/71/06/571557106.db2.gz LIHAPFGHEHDVAF-DCFHFQCYSA-N 0 0 544.142 4.579 50 0 KJAARN COc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169680916 571557232 /nfs/dbraw/zinc/55/72/32/571557232.db2.gz FRCJWUHSOQLHPW-SMSORMJASA-N 0 0 581.804 4.923 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000169681316 571557439 /nfs/dbraw/zinc/55/74/39/571557439.db2.gz MPQNUFJDQUBFIC-SSOJOUAXSA-N 0 0 629.994 4.945 50 0 KJAARN COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4cc(Cl)ccc4OC)C[C@@H]23)cc1 ZINC000169681779 571557510 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O=C1[C@H]2[C@@H](C(=O)N1c1cccc(F)c1)[C@H](c1ccc(F)cc1)N1[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@@H](c3ccc(F)cc3)N21 ZINC000169694045 571558590 /nfs/dbraw/zinc/55/85/90/571558590.db2.gz XHZAVIPNIGPGBP-BJSMOIIYSA-N 0 0 626.566 4.688 50 0 KJAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(F)c1)[C@@H](c1ccc(F)cc1)N1[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@H](c3ccc(F)cc3)N21 ZINC000169694047 571558583 /nfs/dbraw/zinc/55/85/83/571558583.db2.gz XHZAVIPNIGPGBP-NHODMIADSA-N 0 0 626.566 4.688 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(OC)cc2)N2[C@@H]4C(=O)N(c5ccc(OCC)cc5)C(=O)[C@H]4[C@@H](c4ccc(OC)cc4)N32)cc1 ZINC000169694182 571558612 /nfs/dbraw/zinc/55/86/12/571558612.db2.gz UUWHLOSNSMEHMV-XNKGUTECSA-N 0 0 702.764 4.946 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(OC)cc2)N2[C@H]4C(=O)N(c5ccc(OCC)cc5)C(=O)[C@H]4[C@@H](c4ccc(OC)cc4)N32)cc1 ZINC000169694184 571558623 /nfs/dbraw/zinc/55/86/23/571558623.db2.gz UUWHLOSNSMEHMV-FRMKCVIWSA-N 0 0 702.764 4.946 50 0 KJAARN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1 ZINC000169694210 571558908 /nfs/dbraw/zinc/55/89/08/571558908.db2.gz URCPKWWDDFCQLJ-FDFHNCONSA-N 0 0 524.802 4.671 50 0 KJAARN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1 ZINC000169697688 571558769 /nfs/dbraw/zinc/55/87/69/571558769.db2.gz YQGZMCXZOHZZFU-RJGXRXQPSA-N 0 0 538.829 4.925 50 0 KJAARN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 ZINC000169697692 571558820 /nfs/dbraw/zinc/55/88/20/571558820.db2.gz DQXZJFFQKXFJNL-KMDXXIMOSA-N 0 0 518.411 4.580 50 0 KJAARN O=C(Cc1ccccn1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)s1 ZINC000169698697 562867468 /nfs/dbraw/zinc/86/74/68/562867468.db2.gz PRAAPINBUWJLGA-UHFFFAOYSA-N 0 0 571.585 4.550 50 0 in-vitro KJAARN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]23)cc1 ZINC000169699830 571558832 /nfs/dbraw/zinc/55/88/32/571558832.db2.gz QSULRBWXLINHHW-KMDXXIMOSA-N 0 0 518.411 4.580 50 0 KJAARN C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000169712114 571559267 /nfs/dbraw/zinc/55/92/67/571559267.db2.gz AFELYSMEWFWWSM-KMEZTADASA-N 0 0 509.027 4.940 50 0 KJAARN CCn1cc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CC=CCC2)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc21 ZINC000169712445 571559236 /nfs/dbraw/zinc/55/92/36/571559236.db2.gz HREZFKATTPPABQ-RCTAOEEJSA-N 0 0 569.768 4.666 50 0 KJAARN CCn1cc(C(=O)N(C[C@H]2CCCO2)C[C@@H]2CC=CCC2)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc21 ZINC000169712446 571559273 /nfs/dbraw/zinc/55/92/73/571559273.db2.gz HREZFKATTPPABQ-ZFFYZDHPSA-N 0 0 569.768 4.666 50 0 KJAARN CO[C@H]1C=CO[C@]2(C)Oc3c(c4c(O)c(C=O)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000169712937 571559175 /nfs/dbraw/zinc/55/91/75/571559175.db2.gz BBNQHOMJRFAQBN-VBYYLGPJSA-N 0 0 725.788 4.567 50 0 KJAARN Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCC(Cc5nncn5-c5ccccc5)CC4)cnn3c2C)cc1 ZINC000169749273 1066478344 /nfs/dbraw/zinc/47/83/44/1066478344.db2.gz ARUULLXYVADBEN-UHFFFAOYSA-N 0 0 519.653 4.921 50 0 KJAARN CCOc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)cc1OCC ZINC000169753044 1066473062 /nfs/dbraw/zinc/47/30/62/1066473062.db2.gz YLFZEWAJJMOREK-UHFFFAOYSA-N 0 0 513.436 4.989 50 0 KJAARN CCOc1ccc(CC(=O)N2CCCN(c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)cc1OCC ZINC000169753047 1066478521 /nfs/dbraw/zinc/47/85/21/1066478521.db2.gz YUXJXPWTZHAIRQ-UHFFFAOYSA-N 0 0 527.463 4.918 50 0 KJAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000169753063 1066473069 /nfs/dbraw/zinc/47/30/69/1066473069.db2.gz DOYDYSDGFYAOAB-MRXNPFEDSA-N 0 0 503.828 4.999 50 0 KJAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCN(c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000169753064 1066473066 /nfs/dbraw/zinc/47/30/66/1066473066.db2.gz DOYDYSDGFYAOAB-INIZCTEOSA-N 0 0 503.828 4.999 50 0 KJAARN Cc1cc(Cl)ccc1OCC(=O)N1CCCN(c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000169753065 1066473049 /nfs/dbraw/zinc/47/30/49/1066473049.db2.gz RPZCHDZOSGWIIE-UHFFFAOYSA-N 0 0 503.828 4.919 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2cc(OC)ccc2OC)N2[C@@H]4C(=O)N(c5ccc(OCC)cc5)C(=O)[C@H]4[C@@H](c4cc(OC)ccc4OC)N32)cc1 ZINC000169769930 571560040 /nfs/dbraw/zinc/56/00/40/571560040.db2.gz OWTPVRTYJHRZON-XAYNKGEHSA-N 0 0 762.816 4.963 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2cc(OC)ccc2OC)N2[C@H]4C(=O)N(c5ccc(OCC)cc5)C(=O)[C@H]4[C@@H](c4cc(OC)ccc4OC)N32)cc1 ZINC000169769934 571560045 /nfs/dbraw/zinc/56/00/45/571560045.db2.gz OWTPVRTYJHRZON-YAQJXRFXSA-N 0 0 762.816 4.963 50 0 KJAARN CCN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1cccc(C)c1 ZINC000169773538 571560258 /nfs/dbraw/zinc/56/02/58/571560258.db2.gz WDANRQSFIBKQSZ-IHLOFXLRSA-N 0 0 527.665 4.882 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1cccc(C)c1 ZINC000169773540 571560207 /nfs/dbraw/zinc/56/02/07/571560207.db2.gz WDANRQSFIBKQSZ-KYJUHHDHSA-N 0 0 527.665 4.882 50 0 KJAARN CCN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1ccccc1 ZINC000169773546 571560231 /nfs/dbraw/zinc/56/02/31/571560231.db2.gz JOLIJXLIYLKNGF-WDYNHAJCSA-N 0 0 513.638 4.573 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1ccccc1 ZINC000169773548 571560189 /nfs/dbraw/zinc/56/01/89/571560189.db2.gz JOLIJXLIYLKNGF-VMPREFPWSA-N 0 0 513.638 4.573 50 0 KJAARN CCN(CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1cccc(C)c1 ZINC000169774565 571560162 /nfs/dbraw/zinc/56/01/62/571560162.db2.gz ZZXXFRABEWBEDS-IHLOFXLRSA-N 0 0 527.665 4.882 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1cccc(C)c1 ZINC000169774567 571560249 /nfs/dbraw/zinc/56/02/49/571560249.db2.gz ZZXXFRABEWBEDS-KYJUHHDHSA-N 0 0 527.665 4.882 50 0 KJAARN CCN(CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1ccccc1 ZINC000169774577 571560175 /nfs/dbraw/zinc/56/01/75/571560175.db2.gz BOKMQKFWICTEBD-WDYNHAJCSA-N 0 0 513.638 4.573 50 0 KJAARN CCN(CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1ccccc1 ZINC000169774579 571560241 /nfs/dbraw/zinc/56/02/41/571560241.db2.gz BOKMQKFWICTEBD-VMPREFPWSA-N 0 0 513.638 4.573 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc(C)c3)[C@@H](C)C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000169774595 571560216 /nfs/dbraw/zinc/56/02/16/571560216.db2.gz KVZIIHZSDPWGNK-NRAUDTLTSA-N 0 0 525.649 4.586 50 0 KJAARN Cc1nc2c(C(=O)N3CCC[C@@H](c4nc(C5CCOCC5)no4)C3)cnn2c(C)c1Cc1ccccc1Cl ZINC000169779881 1066478359 /nfs/dbraw/zinc/47/83/59/1066478359.db2.gz DEGZLYCLNXZJMQ-OAQYLSRUSA-N 0 0 535.048 4.887 50 0 KJAARN Cc1nc2c(C(=O)N3CCC[C@H](c4nc(C5CCOCC5)no4)C3)cnn2c(C)c1Cc1ccccc1Cl ZINC000169779882 1066478406 /nfs/dbraw/zinc/47/84/06/1066478406.db2.gz DEGZLYCLNXZJMQ-NRFANRHFSA-N 0 0 535.048 4.887 50 0 KJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCC[C@@H](c4nc(C5CCOCC5)no4)C3)cnn2c1C ZINC000169779891 1066478510 /nfs/dbraw/zinc/47/85/10/1066478510.db2.gz VLULWVDWOANXLQ-HSZRJFAPSA-N 0 0 514.630 4.542 50 0 KJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCC[C@H](c4nc(C5CCOCC5)no4)C3)cnn2c1C ZINC000169779892 1066478368 /nfs/dbraw/zinc/47/83/68/1066478368.db2.gz VLULWVDWOANXLQ-QHCPKHFHSA-N 0 0 514.630 4.542 50 0 KJAARN Cc1nc2c(C(=O)N3CCC(c4nc(C5CCOCC5)no4)CC3)cnn2c(C)c1Cc1ccccc1Cl ZINC000169779934 1066479274 /nfs/dbraw/zinc/47/92/74/1066479274.db2.gz ARCZLPDKAXQGFV-UHFFFAOYSA-N 0 0 535.048 4.887 50 0 KJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCC(c4nc(C5CCOCC5)no4)CC3)cnn2c1C ZINC000169779937 1066479184 /nfs/dbraw/zinc/47/91/84/1066479184.db2.gz OSQOFPOPQFULBM-UHFFFAOYSA-N 0 0 514.630 4.542 50 0 KJAARN Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCC(c5nc(C6CCOCC6)no5)CC4)cnn3c2C)cc1 ZINC000169779938 1066479329 /nfs/dbraw/zinc/47/93/29/1066479329.db2.gz BQYMNQOWKAHIKW-UHFFFAOYSA-N 0 0 514.630 4.542 50 0 KJAARN Cc1nc2c(C(=O)N3CCC(Cc4nc(C5CCOCC5)no4)CC3)cnn2c(C)c1Cc1ccccc1Cl ZINC000169779946 1066479295 /nfs/dbraw/zinc/47/92/95/1066479295.db2.gz DIAVZOVWGXUFCL-UHFFFAOYSA-N 0 0 549.075 4.962 50 0 KJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCC(Cc4nc(C5CCOCC5)no4)CC3)cnn2c1C ZINC000169779953 1066479214 /nfs/dbraw/zinc/47/92/14/1066479214.db2.gz MMXIHXMQZCHALS-UHFFFAOYSA-N 0 0 528.657 4.617 50 0 KJAARN Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCC(Cc5nc(C6CCOCC6)no5)CC4)cnn3c2C)cc1 ZINC000169779954 1066479226 /nfs/dbraw/zinc/47/92/26/1066479226.db2.gz FPGCKFODXSNXBO-UHFFFAOYSA-N 0 0 528.657 4.617 50 0 KJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCC(Cc4nncn4-c4ccccc4)CC3)cnn2c1C ZINC000169779970 1066479409 /nfs/dbraw/zinc/47/94/09/1066479409.db2.gz AEWWVFYARLITBT-UHFFFAOYSA-N 0 0 519.653 4.921 50 0 KJAARN Cc1nc2c(C(=O)N3CCC(Cc4nncn4CC4CC4)CC3)cnn2c(C)c1Cc1ccccc1Cl ZINC000169779974 1066479291 /nfs/dbraw/zinc/47/92/91/1066479291.db2.gz HANZFGBKFMZFTI-UHFFFAOYSA-N 0 0 518.065 4.687 50 0 KJAARN Cc1nc2c(C(=O)N3CCC[C@@H]3c3nc(C4CCOCC4)no3)cnn2c(C)c1Cc1ccccc1Cl ZINC000169780021 1066479239 /nfs/dbraw/zinc/47/92/39/1066479239.db2.gz YOIRGKLJDBPKHP-HSZRJFAPSA-N 0 0 521.021 4.845 50 0 KJAARN Cc1nc2c(C(=O)N3CCC[C@H]3c3nc(C4CCOCC4)no3)cnn2c(C)c1Cc1ccccc1Cl ZINC000169780022 1066479281 /nfs/dbraw/zinc/47/92/81/1066479281.db2.gz YOIRGKLJDBPKHP-QHCPKHFHSA-N 0 0 521.021 4.845 50 0 KJAARN Cc1nc2c(C(=O)N3CCC(Cc4nncn4C(C)C)CC3)cnn2c(C)c1Cc1ccccc1Cl ZINC000169780086 1066479300 /nfs/dbraw/zinc/47/93/00/1066479300.db2.gz CKDUUDYHTPKHPU-UHFFFAOYSA-N 0 0 506.054 4.858 50 0 KJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCC(Cc4nncn4Cc4ccccc4)CC3)cnn2c1C ZINC000169780104 1066479286 /nfs/dbraw/zinc/47/92/86/1066479286.db2.gz CGFMIIYPKGUPHG-UHFFFAOYSA-N 0 0 533.680 4.980 50 0 KJAARN Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCC(Cc5nncn5Cc5ccccc5)CC4)cnn3c2C)cc1 ZINC000169780105 1066479317 /nfs/dbraw/zinc/47/93/17/1066479317.db2.gz SGXJWZSNYIRJNR-UHFFFAOYSA-N 0 0 533.680 4.980 50 0 KJAARN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3c3noc(COc4ccc(F)cc4)n3)[nH]n2)c1C ZINC000169786136 1066480116 /nfs/dbraw/zinc/48/01/16/1066480116.db2.gz NSTWZBMJQKPYBJ-JOCHJYFZSA-N 0 0 507.570 4.769 50 0 KJAARN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3c3noc(COc4ccc(F)cc4)n3)[nH]n2)c1C ZINC000169786137 1066480059 /nfs/dbraw/zinc/48/00/59/1066480059.db2.gz NSTWZBMJQKPYBJ-QFIPXVFZSA-N 0 0 507.570 4.769 50 0 KJAARN CC[C@H](C)[C@@H](NC(=O)Nc1ccc(Br)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000169793406 571560534 /nfs/dbraw/zinc/56/05/34/571560534.db2.gz DRJFIVOOXKYCPJ-NPPFBWRTSA-N 0 0 536.515 4.560 50 0 KJAARN CC[C@H](C)[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000169793408 571560524 /nfs/dbraw/zinc/56/05/24/571560524.db2.gz DRJFIVOOXKYCPJ-SPEDKVCISA-N 0 0 536.515 4.560 50 0 KJAARN Cc1ccc([Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000169816190 571560944 /nfs/dbraw/zinc/56/09/44/571560944.db2.gz JLILIIPSKZCVRU-UHFFFAOYSA-N 0 0 532.835 4.714 50 0 KJAARN OC(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169816435 1066466233 /nfs/dbraw/zinc/46/62/33/1066466233.db2.gz PDVXODIUIZALHR-UHFFFAOYSA-N 0 0 576.888 4.688 50 0 KJAARN O[C@@H](COCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169816439 1066466222 /nfs/dbraw/zinc/46/62/22/1066466222.db2.gz OMOCFOGSUDOTTP-DHUJRADRSA-N 0 0 620.941 4.705 50 0 KJAARN O[C@H](COCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169816442 1066466240 /nfs/dbraw/zinc/46/62/40/1066466240.db2.gz OMOCFOGSUDOTTP-PGUFJCEWSA-N 0 0 620.941 4.705 50 0 KJAARN C[Si](C)(C)[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169816781 1066466199 /nfs/dbraw/zinc/46/61/99/1066466199.db2.gz ZLOIHOIJVHVKAI-UHFFFAOYSA-N 0 0 514.893 4.915 50 0 KJAARN c1ccc([Si](C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000169817614 1066466683 /nfs/dbraw/zinc/46/66/83/1066466683.db2.gz PUKWUSBTJLTDCF-UHFFFAOYSA-N 0 0 532.835 4.866 50 0 KJAARN C[Si](C)(C)c1ccc([Si](c2ccccc2)(c2ccc([Si](C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)cc1 ZINC000169818074 1066466700 /nfs/dbraw/zinc/46/67/00/1066466700.db2.gz XVEXEYGHJYAPEB-UHFFFAOYSA-N 0 0 553.059 4.700 50 0 KJAARN COc1ccc(CO[C@@H](COCOCC[Si](C)(C)C)C[C@H](O)CC(=O)N2C(=S)SC[C@@H]2C(C)C)cc1 ZINC000169834476 571561418 /nfs/dbraw/zinc/56/14/18/571561418.db2.gz DSVYEVCQNBWSIS-QPTUXGOLSA-N 0 0 557.851 4.935 50 0 KJAARN O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000170612676 571561697 /nfs/dbraw/zinc/56/16/97/571561697.db2.gz QGOQRZAXUJUAFA-UHFFFAOYSA-N 0 0 516.189 4.811 50 0 KJAARN COc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)c(OC)c1OC ZINC000170612677 571561751 /nfs/dbraw/zinc/56/17/51/571561751.db2.gz YELFAUAEOZKVLG-QFIPXVFZSA-N 0 0 511.372 4.659 50 0 KJAARN COc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)c(OC)c1OC ZINC000170612678 571561741 /nfs/dbraw/zinc/56/17/41/571561741.db2.gz YELFAUAEOZKVLG-JOCHJYFZSA-N 0 0 511.372 4.659 50 0 KJAARN COc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000170614095 571561948 /nfs/dbraw/zinc/56/19/48/571561948.db2.gz RLNMMIOCYMIZDB-DEOSSOPVSA-N 0 0 519.598 4.787 50 0 KJAARN COc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000170614096 571561978 /nfs/dbraw/zinc/56/19/78/571561978.db2.gz RLNMMIOCYMIZDB-XMMPIXPASA-N 0 0 519.598 4.787 50 0 KJAARN Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)c1 ZINC000170614180 571561918 /nfs/dbraw/zinc/56/19/18/571561918.db2.gz MMPCCRUBGAFRJR-SANMLTNESA-N 0 0 511.651 4.919 50 0 KJAARN Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)c1 ZINC000170614181 571561970 /nfs/dbraw/zinc/56/19/70/571561970.db2.gz MMPCCRUBGAFRJR-AREMUKBSSA-N 0 0 511.651 4.919 50 0 KJAARN Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccsc3)=NN2C(=O)CN2CCOCC2)c1 ZINC000170615183 571562084 /nfs/dbraw/zinc/56/20/84/571562084.db2.gz VCRFMIXKFBLPPB-MHZLTWQESA-N 0 0 511.651 4.919 50 0 KJAARN Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccsc3)=NN2C(=O)CN2CCOCC2)c1 ZINC000170615184 571562089 /nfs/dbraw/zinc/56/20/89/571562089.db2.gz VCRFMIXKFBLPPB-HHHXNRCGSA-N 0 0 511.651 4.919 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccccc3F)C2)c1 ZINC000170618128 571562172 /nfs/dbraw/zinc/56/21/72/571562172.db2.gz RLKVZNPMBYHFNX-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3F)C2)c1 ZINC000170618129 571562078 /nfs/dbraw/zinc/56/20/78/571562078.db2.gz RLKVZNPMBYHFNX-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccccc3C)C2)cc1 ZINC000170618130 571562166 /nfs/dbraw/zinc/56/21/66/571562166.db2.gz UYEYXCCUJZSKRQ-DEOSSOPVSA-N 0 0 518.060 4.950 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3C)C2)cc1 ZINC000170618131 571562079 /nfs/dbraw/zinc/56/20/79/571562079.db2.gz UYEYXCCUJZSKRQ-XMMPIXPASA-N 0 0 518.060 4.950 50 0 KJAARN Cc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1S(=O)(=O)c1cccc(Cl)c1 ZINC000170618164 571562154 /nfs/dbraw/zinc/56/21/54/571562154.db2.gz RPYUZNULZFIREA-QHCPKHFHSA-N 0 0 504.033 4.560 50 0 KJAARN Cc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1S(=O)(=O)c1cccc(Cl)c1 ZINC000170618165 571562077 /nfs/dbraw/zinc/56/20/77/571562077.db2.gz RPYUZNULZFIREA-HSZRJFAPSA-N 0 0 504.033 4.560 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccc(OC)cc3)C2)c1 ZINC000170618175 571562317 /nfs/dbraw/zinc/56/23/17/571562317.db2.gz ZYIMCVQCQWWBPK-DEOSSOPVSA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccc(OC)cc3)C2)c1 ZINC000170618176 571562245 /nfs/dbraw/zinc/56/22/45/571562245.db2.gz ZYIMCVQCQWWBPK-XMMPIXPASA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3cccs3)C2)c1 ZINC000170618177 571562222 /nfs/dbraw/zinc/56/22/22/571562222.db2.gz UZLCHEOXKVUTGB-FQEVSTJZSA-N 0 0 510.062 4.703 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3cccs3)C2)c1 ZINC000170618178 571562263 /nfs/dbraw/zinc/56/22/63/571562263.db2.gz UZLCHEOXKVUTGB-HXUWFJFHSA-N 0 0 510.062 4.703 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3cccc(F)c3)C2)c1 ZINC000170618201 571562300 /nfs/dbraw/zinc/56/23/00/571562300.db2.gz XLYXWJMUCISNRM-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000170618202 571562237 /nfs/dbraw/zinc/56/22/37/571562237.db2.gz XLYXWJMUCISNRM-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000170618203 571562302 /nfs/dbraw/zinc/56/23/02/571562302.db2.gz RTTGGTZVSSYQSH-DEOSSOPVSA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000170618204 571562290 /nfs/dbraw/zinc/56/22/90/571562290.db2.gz RTTGGTZVSSYQSH-XMMPIXPASA-N 0 0 534.059 4.650 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000170618241 571562314 /nfs/dbraw/zinc/56/23/14/571562314.db2.gz BGKIOCNLGPBGBV-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000170618242 571562308 /nfs/dbraw/zinc/56/23/08/571562308.db2.gz BGKIOCNLGPBGBV-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000170618243 571562271 /nfs/dbraw/zinc/56/22/71/571562271.db2.gz UPJSLIVUYAJNFZ-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000170618244 571562284 /nfs/dbraw/zinc/56/22/84/571562284.db2.gz UPJSLIVUYAJNFZ-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccccc3)C2)c1 ZINC000170618268 571562251 /nfs/dbraw/zinc/56/22/51/571562251.db2.gz UUVCYKXLHANRLZ-QHCPKHFHSA-N 0 0 504.033 4.642 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3)C2)c1 ZINC000170618269 571562274 /nfs/dbraw/zinc/56/22/74/571562274.db2.gz UUVCYKXLHANRLZ-HSZRJFAPSA-N 0 0 504.033 4.642 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000170618270 571562305 /nfs/dbraw/zinc/56/23/05/571562305.db2.gz JMDURQCRLSHEKK-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000170618271 571562276 /nfs/dbraw/zinc/56/22/76/571562276.db2.gz JMDURQCRLSHEKK-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccccc3C)C2)c1 ZINC000170618312 571562229 /nfs/dbraw/zinc/56/22/29/571562229.db2.gz IUOCHRJBLOSQFV-DEOSSOPVSA-N 0 0 518.060 4.950 50 0 KJAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3C)C2)c1 ZINC000170618313 571562239 /nfs/dbraw/zinc/56/22/39/571562239.db2.gz IUOCHRJBLOSQFV-XMMPIXPASA-N 0 0 518.060 4.950 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccccc3F)C2)cc1 ZINC000170618314 571562220 /nfs/dbraw/zinc/56/22/20/571562220.db2.gz YUHMEBSCOZUTSB-QHCPKHFHSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3F)C2)cc1 ZINC000170618315 571562297 /nfs/dbraw/zinc/56/22/97/571562297.db2.gz YUHMEBSCOZUTSB-HSZRJFAPSA-N 0 0 522.023 4.781 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000170618316 571562247 /nfs/dbraw/zinc/56/22/47/571562247.db2.gz ZHBFJCSJDNKKTG-DEOSSOPVSA-N 0 0 518.060 4.950 50 0 KJAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000170618317 571562279 /nfs/dbraw/zinc/56/22/79/571562279.db2.gz ZHBFJCSJDNKKTG-XMMPIXPASA-N 0 0 518.060 4.950 50 0 KJAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccsc3)C2)c(OC)c1 ZINC000170618445 571562479 /nfs/dbraw/zinc/56/24/79/571562479.db2.gz SROXEOCPYQZUJT-QHCPKHFHSA-N 0 0 508.625 4.729 50 0 KJAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccsc3)C2)c(OC)c1 ZINC000170618446 571562379 /nfs/dbraw/zinc/56/23/79/571562379.db2.gz SROXEOCPYQZUJT-HSZRJFAPSA-N 0 0 508.625 4.729 50 0 KJAARN O=C(CCN1CCOCC1)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccc(Br)cc1 ZINC000170619438 571562475 /nfs/dbraw/zinc/56/24/75/571562475.db2.gz ROSLMIKYTPNZEP-NRFANRHFSA-N 0 0 521.253 4.612 50 0 KJAARN O=C(CCN1CCOCC1)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccc(Br)cc1 ZINC000170619439 571562465 /nfs/dbraw/zinc/56/24/65/571562465.db2.gz ROSLMIKYTPNZEP-OAQYLSRUSA-N 0 0 521.253 4.612 50 0 KJAARN COc1ccc(C2=NN(CN3c4cc(Br)ccc4C(=O)C3=O)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000170619988 571562407 /nfs/dbraw/zinc/56/24/07/571562407.db2.gz WPDKZRXEGJWSEZ-QHCPKHFHSA-N 0 0 520.383 4.804 50 0 KJAARN COc1ccc(C2=NN(CN3c4cc(Br)ccc4C(=O)C3=O)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000170619990 571562412 /nfs/dbraw/zinc/56/24/12/571562412.db2.gz WPDKZRXEGJWSEZ-HSZRJFAPSA-N 0 0 520.383 4.804 50 0 KJAARN O=C(Nc1ccc(Br)cc1C(=O)c1cccc(Cl)c1)c1nc[nH]c1C(=O)N1CCCCC1 ZINC000170620209 571562597 /nfs/dbraw/zinc/56/25/97/571562597.db2.gz OOHUJGLHGHDHCI-UHFFFAOYSA-N 0 0 515.795 4.935 50 0 KJAARN COc1ccccc1N(C[C@H](O)COc1ccc(OC[C@@H](O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000170621450 571562864 /nfs/dbraw/zinc/56/28/64/571562864.db2.gz AGOLLMOLNHTNHS-KYJUHHDHSA-N 0 0 748.876 4.974 50 0 KJAARN COc1cccc(C(=O)c2coc3ccc(OCC(=O)N4CCc5cc(OC)c(OC)cc5C4)cc23)c1 ZINC000170622142 1066474807 /nfs/dbraw/zinc/47/48/07/1066474807.db2.gz BWFFUUGXMXINLF-UHFFFAOYSA-N 0 0 501.535 4.653 50 0 KJAARN COc1ccc(C(=O)COc2ccc3occ(C(=O)c4cc(OC)c(OC)c(OC)c4)c3c2)cc1OC ZINC000170622162 1066474989 /nfs/dbraw/zinc/47/49/89/1066474989.db2.gz XZVJXXIMVKJLED-UHFFFAOYSA-N 0 0 506.507 4.969 50 0 KJAARN COc1cc(C(=O)c2coc3ccc(OCC(=O)c4ccc(NC(C)=O)cc4)cc23)cc(OC)c1OC ZINC000170622163 1066474783 /nfs/dbraw/zinc/47/47/83/1066474783.db2.gz ILHIHIOXSYNKON-UHFFFAOYSA-N 0 0 503.507 4.910 50 0 KJAARN COc1ccc(OC)c(C(=O)COc2ccc3occ(C(=O)c4cc(OC)c(OC)c(OC)c4)c3c2)c1 ZINC000170622175 1066474904 /nfs/dbraw/zinc/47/49/04/1066474904.db2.gz GYNPDMSTRDJNKH-UHFFFAOYSA-N 0 0 506.507 4.969 50 0 KJAARN O=C(Nc1ccc(Br)cc1C(=O)NC1CCC(O)CC1)Nc1ccc(Br)cc1C(=O)NC1CCC(O)CC1 ZINC000170622765 571562967 /nfs/dbraw/zinc/56/29/67/571562967.db2.gz ROECOOZAIZEYGG-UHFFFAOYSA-N 0 0 652.384 4.922 50 0 KJAARN COc1cc(C(=O)c2coc3ccc(OCC(=O)c4ccc5c(c4)OCCO5)cc32)cc(OC)c1OC ZINC000170625288 571563083 /nfs/dbraw/zinc/56/30/83/571563083.db2.gz IWCAKJWIWWBFDT-UHFFFAOYSA-N 0 0 504.491 4.723 50 0 KJAARN COc1ccc(C(=O)c2coc3ccc(OCC(=O)N4CCc5cc(OC)c(OC)cc5C4)cc23)cc1 ZINC000170625295 571563027 /nfs/dbraw/zinc/56/30/27/571563027.db2.gz OMZHWOMMSBFRDB-UHFFFAOYSA-N 0 0 501.535 4.653 50 0 KJAARN O=C(Oc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000195529026 571563368 /nfs/dbraw/zinc/56/33/68/571563368.db2.gz VVQRGKBFIRLJPO-ROKPMTFOSA-N 0 0 518.875 4.663 50 0 KJAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)n1Cc1ccccc1)N(C)C ZINC000195531220 571563714 /nfs/dbraw/zinc/56/37/14/571563714.db2.gz GCHRASSKSQPLPL-XLGIIRLISA-N 0 0 584.812 4.737 50 0 KJAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)cc2)C1 ZINC000195543544 571563694 /nfs/dbraw/zinc/56/36/94/571563694.db2.gz DKCBNWYZOIFZJQ-NIYFSFCBSA-N 0 0 594.130 4.948 50 0 KJAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)cc2)C1 ZINC000195543546 571563660 /nfs/dbraw/zinc/56/36/60/571563660.db2.gz DKCBNWYZOIFZJQ-AFMDSPMNSA-N 0 0 594.130 4.948 50 0 KJAARN COC(=O)Cc1c(C)c(C(=O)OCc2ccccc2)[nH]c1Cc1[nH]c(C(=O)OCc2ccccc2)c(C)c1CC(=O)OC ZINC000196596836 1066487947 /nfs/dbraw/zinc/48/79/47/1066487947.db2.gz UGCOTECKKPTGIY-UHFFFAOYSA-N 0 0 586.641 4.695 50 0 KJAARN CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O ZINC000197027425 1066394062 /nfs/dbraw/zinc/39/40/62/1066394062.db2.gz LTAVTXCDXZSJBC-WYMDQGHQSA-N 0 0 531.630 4.829 50 0 KJAARN CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O ZINC000197027438 1066393946 /nfs/dbraw/zinc/39/39/46/1066393946.db2.gz LTAVTXCDXZSJBC-UHHZLRDHSA-N 0 0 531.630 4.829 50 0 KJAARN COc1ccccc1NC(=O)c1nc2ccccc2nc1CC(=O)C(=O)Nc1c(F)cc(F)cc1Br ZINC000198724523 571568733 /nfs/dbraw/zinc/56/87/33/571568733.db2.gz KNMUHWRDUBCEPV-UHFFFAOYSA-N 0 0 555.335 4.682 50 0 KJAARN Cc1c(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc(Cc2ccccc2Cl)c1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000198753436 571568898 /nfs/dbraw/zinc/56/88/98/571568898.db2.gz WAKZXHUDRKWBTM-UHFFFAOYSA-N 0 0 643.147 4.822 50 0 KJAARN CO[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000205669851 571569730 /nfs/dbraw/zinc/56/97/30/571569730.db2.gz OSFLTUBNBXWBHG-DOVFVUOTSA-N 0 0 610.615 4.892 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3nc(C)cs3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000206229474 571572285 /nfs/dbraw/zinc/57/22/85/571572285.db2.gz JCKWNCJDWGASDY-FYYLOGMGSA-N 0 0 612.774 4.800 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc(C)cs3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000206229501 571572287 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CCOCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(Br)cc2)no1 ZINC000225534247 193968189 /nfs/dbraw/zinc/96/81/89/193968189.db2.gz QHDUEJRYVFXBFN-UHFFFAOYSA-N 0 0 501.406 4.928 50 0 KJAARN COc1cccc(Cn2c(=O)c3ccccc3nc2SCc2nc(-c3cc(OC)cc(OC)c3)no2)c1 ZINC000225535555 571901234 /nfs/dbraw/zinc/90/12/34/571901234.db2.gz XLXKBOMRTFBTEH-UHFFFAOYSA-N 0 0 516.579 4.813 50 0 KJAARN COc1cccc(Cn2c(=O)c3ccccc3nc2SCc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000225535600 571901176 /nfs/dbraw/zinc/90/11/76/571901176.db2.gz GTFSSGAXAVTLMH-UHFFFAOYSA-N 0 0 500.536 4.524 50 0 KJAARN CCOc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000225535761 571901278 /nfs/dbraw/zinc/90/12/78/571901278.db2.gz CQGASBLAMYSLKZ-UHFFFAOYSA-N 0 0 514.563 4.915 50 0 KJAARN COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000225535807 571901243 /nfs/dbraw/zinc/90/12/43/571901243.db2.gz NYRPAERCPYFSMW-UHFFFAOYSA-N 0 0 500.536 4.524 50 0 KJAARN COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccc4c(c3)OCO4)n2)c(OC)c1 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KJAARN COc1ccc(C(O)=C2[C@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000226260174 572135747 /nfs/dbraw/zinc/13/57/47/572135747.db2.gz FGMSHBCQTMLNII-IPJJNNNSSA-N 0 0 539.304 4.822 50 0 KJAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)c(C)cc2OC)[C@@H](C)C1 ZINC000226457296 572138298 /nfs/dbraw/zinc/13/82/98/572138298.db2.gz PUEKRAILLXPWRB-NRFANRHFSA-N 0 0 552.759 4.651 50 0 KJAARN O=C1CS[C@@]2(C(=O)N(CN3CCN(c4ccc(F)cc4)CC3)c3ccccc32)N1c1cccc(Cl)c1 ZINC000226762665 572141331 /nfs/dbraw/zinc/14/13/31/572141331.db2.gz AUCZAGRIAFNEKH-MHZLTWQESA-N 0 0 523.033 4.538 50 0 KJAARN O=C1CS[C@]2(C(=O)N(CN3CCN(c4ccc(F)cc4)CC3)c3ccccc32)N1c1cccc(Cl)c1 ZINC000226762669 572141288 /nfs/dbraw/zinc/14/12/88/572141288.db2.gz AUCZAGRIAFNEKH-HHHXNRCGSA-N 0 0 523.033 4.538 50 0 KJAARN CCOc1ccccc1C(=O)NC(NC(=O)c1ccccc1OCC)C(=O)c1ccc(Br)cc1 ZINC000226762821 572141266 /nfs/dbraw/zinc/14/12/66/572141266.db2.gz SFTOQGBNRFGKHD-UHFFFAOYSA-N 0 0 525.399 4.615 50 0 KJAARN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000226813794 572142089 /nfs/dbraw/zinc/14/20/89/572142089.db2.gz XITPCMNFQGWLBM-OYUWMTPXSA-N 0 0 502.567 4.934 50 0 KJAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000226823013 572142426 /nfs/dbraw/zinc/14/24/26/572142426.db2.gz JAFRYOZMXQRUJI-HZFUHODCSA-N 0 0 520.541 4.966 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000226823249 572142599 /nfs/dbraw/zinc/14/25/99/572142599.db2.gz LIBDXMDOAPMSDR-KMDXXIMOSA-N 0 0 523.383 4.908 50 0 KJAARN CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OC)c(Br)c3)[C@@H]2C1=O ZINC000226823281 572142610 /nfs/dbraw/zinc/14/26/10/572142610.db2.gz DEFWJFLZTDZMDE-KMDXXIMOSA-N 0 0 523.383 4.908 50 0 KJAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1Br ZINC000226823888 572142704 /nfs/dbraw/zinc/14/27/04/572142704.db2.gz DZNKLUCVFPQYRL-YTFSRNRJSA-N 0 0 509.356 4.517 50 0 KJAARN 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O=c1[nH]c2c(s1)[C@@H](c1cccnc1)[C@H]1[C@H]3C[C@@H]([C@@H]1S2)[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]31 ZINC000239425743 572195003 /nfs/dbraw/zinc/19/50/03/572195003.db2.gz VEJCLUFPDMSGFZ-FUIGDMOMSA-N 0 0 529.565 4.528 50 0 KJAARN O=c1[nH]c2c(s1)[C@H](c1cccnc1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000239425744 572194984 /nfs/dbraw/zinc/19/49/84/572194984.db2.gz VEJCLUFPDMSGFZ-YOLPFRQPSA-N 0 0 529.565 4.528 50 0 KJAARN O=c1[nH]c2c(s1)[C@@H](c1cccnc1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000239425745 572194973 /nfs/dbraw/zinc/19/49/73/572194973.db2.gz VEJCLUFPDMSGFZ-ZXVGSPHGSA-N 0 0 529.565 4.528 50 0 KJAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)cc1 ZINC000239432928 572195508 /nfs/dbraw/zinc/19/55/08/572195508.db2.gz WXVNWAPVQCABGD-YKSBVNFPSA-N 0 0 538.732 4.504 50 0 KJAARN O=C(c1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@@H]3[C@H]3C(=O)N(c4cccc(C(=O)c5ccccc5)c4)C(=O)[C@H]32)c1 ZINC000239433052 572195480 /nfs/dbraw/zinc/19/54/80/572195480.db2.gz XDQQGNXZUDBWGW-IDPSDNDTSA-N 0 0 606.634 4.876 50 0 KJAARN O=C(c1ccccc1)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C(=O)N(c4cccc(C(=O)c5ccccc5)c4)C(=O)[C@H]32)c1 ZINC000239433053 572195501 /nfs/dbraw/zinc/19/55/01/572195501.db2.gz XDQQGNXZUDBWGW-LFAPAAFUSA-N 0 0 606.634 4.876 50 0 KJAARN O=C(c1ccccc1)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C(=O)N(c4cccc(C(=O)c5ccccc5)c4)C(=O)[C@@H]32)c1 ZINC000239433054 572195580 /nfs/dbraw/zinc/19/55/80/572195580.db2.gz XDQQGNXZUDBWGW-SQMXJRCQSA-N 0 0 606.634 4.876 50 0 KJAARN Cc1cccc(N2C(=O)[C@H]3[C@H](c4cccs4)N4[C@@H]5C(=O)N(c6cccc(C)c6)C(=O)[C@H]5[C@@H](c5cccs5)N4[C@H]3C2=O)c1 ZINC000239433609 572195971 /nfs/dbraw/zinc/19/59/71/572195971.db2.gz YDONWGSXZCIAEK-ACWZPJHASA-N 0 0 594.718 4.871 50 0 KJAARN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)N2[C@H](c4cccs4)[C@@H]4C(=O)N(c5cccc(C)c5)C(=O)[C@@H]4N2[C@@H]3c2cccs2)c1 ZINC000239433610 572195950 /nfs/dbraw/zinc/19/59/50/572195950.db2.gz YDONWGSXZCIAEK-BQXGFVACSA-N 0 0 594.718 4.871 50 0 KJAARN Cc1cccc(N2C(=O)[C@H]3[C@H](c4cccs4)N4[C@H]5C(=O)N(c6cccc(C)c6)C(=O)[C@H]5[C@@H](c5cccs5)N4[C@H]3C2=O)c1 ZINC000239433611 572195954 /nfs/dbraw/zinc/19/59/54/572195954.db2.gz YDONWGSXZCIAEK-SCUYQTRWSA-N 0 0 594.718 4.871 50 0 KJAARN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)N2[C@H](c4cccs4)[C@@H]4C(=O)N(c5cccc(C)c5)C(=O)[C@H]4N2[C@@H]3c2cccs2)c1 ZINC000239433612 572195997 /nfs/dbraw/zinc/19/59/97/572195997.db2.gz YDONWGSXZCIAEK-WBKISLEQSA-N 0 0 594.718 4.871 50 0 KJAARN COc1cc(OC)c(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)cc1OC ZINC000239762100 572196459 /nfs/dbraw/zinc/19/64/59/572196459.db2.gz CKVAGIAHKCFDSG-DEOSSOPVSA-N 0 0 511.372 4.659 50 0 KJAARN COc1cc(OC)c(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)cc1OC ZINC000239762103 572196578 /nfs/dbraw/zinc/19/65/78/572196578.db2.gz CKVAGIAHKCFDSG-XMMPIXPASA-N 0 0 511.372 4.659 50 0 KJAARN CC(C)N(C(=O)CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]12)c1ccccc1 ZINC000239882109 572196565 /nfs/dbraw/zinc/19/65/65/572196565.db2.gz DAHHAWNSAVMYJT-NMTWQVPRSA-N 0 0 515.647 4.690 50 0 KJAARN O=C(NCc1nc(-c2ccccc2)cs1)[C@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2COc4ccccc4O2)C3=O)C1 ZINC000240936887 572196496 /nfs/dbraw/zinc/19/64/96/572196496.db2.gz SFKOKJKHLYLBFV-GOTSBHOMSA-N 0 0 594.693 4.779 50 0 KJAARN O=C(NCc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2COc4ccccc4O2)C3=O)C1 ZINC000240936888 572196623 /nfs/dbraw/zinc/19/66/23/572196623.db2.gz SFKOKJKHLYLBFV-PKTZIBPZSA-N 0 0 594.693 4.779 50 0 KJAARN O=c1[nH]c2c(s1)[C@H](c1ccccc1O)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000241338638 572196869 /nfs/dbraw/zinc/19/68/69/572196869.db2.gz MCQJXXZRIXGSNV-QBDZZYRMSA-N 0 0 544.576 4.839 50 0 KJAARN O=c1[nH]c2c(s1)[C@H](c1ccccc1O)[C@H]1[C@H]3C[C@@H]([C@@H]1S2)[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]31 ZINC000241338639 572196787 /nfs/dbraw/zinc/19/67/87/572196787.db2.gz MCQJXXZRIXGSNV-UZSJBGNBSA-N 0 0 544.576 4.839 50 0 KJAARN O=c1[nH]c2c(s1)[C@H](c1ccccc1O)[C@@H]1[C@H]3C[C@@H]([C@@H]1S2)[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]31 ZINC000241338640 572196859 /nfs/dbraw/zinc/19/68/59/572196859.db2.gz MCQJXXZRIXGSNV-YRWUHNFGSA-N 0 0 544.576 4.839 50 0 KJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)N([C@H]1CC(=O)N(c3ccccc3)C1=O)CC2 ZINC000243957183 572199760 /nfs/dbraw/zinc/19/97/60/572199760.db2.gz CHFZDZFEGRNZCK-BKMJKUGQSA-N 0 0 521.411 4.746 50 0 KJAARN CCCCN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1 ZINC000244748677 572200223 /nfs/dbraw/zinc/20/02/23/572200223.db2.gz OMFUJOOAWSLCCK-BJKOFHAPSA-N 0 0 503.643 4.507 50 0 KJAARN CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1 ZINC000244748678 572200397 /nfs/dbraw/zinc/20/03/97/572200397.db2.gz OMFUJOOAWSLCCK-DNQXCXABSA-N 0 0 503.643 4.507 50 0 KJAARN COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@H](C(=O)N5CCCC[C@H]5c5cccnc5)C4)c3C2=O)c1 ZINC000244748714 572200240 /nfs/dbraw/zinc/20/02/40/572200240.db2.gz ONAKLUDZSJHBFY-LSYYVWMOSA-N 0 0 552.675 4.899 50 0 KJAARN COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCCC[C@H]5c5cccnc5)C4)c3C2=O)c1 ZINC000244748715 572200285 /nfs/dbraw/zinc/20/02/85/572200285.db2.gz ONAKLUDZSJHBFY-NAKRPHOHSA-N 0 0 552.675 4.899 50 0 KJAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2C(C(=O)Oc4ccc(Cl)cc4Cl)=CC3[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]32)cc1 ZINC000244866596 572200313 /nfs/dbraw/zinc/20/03/13/572200313.db2.gz VYTVGGOZMFJTFW-IEXPLEERSA-N 0 0 647.467 4.714 50 0 KJAARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C(C(=O)Oc4ccc(Cl)cc4Cl)=C[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]32)cc1 ZINC000244866597 572200212 /nfs/dbraw/zinc/20/02/12/572200212.db2.gz VYTVGGOZMFJTFW-IHBTUXGXSA-N 0 0 647.467 4.714 50 0 KJAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C(C(=O)Oc4ccc(Cl)cc4Cl)=C[C@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]32)cc1 ZINC000244866598 572200374 /nfs/dbraw/zinc/20/03/74/572200374.db2.gz VYTVGGOZMFJTFW-PYOMWLPISA-N 0 0 647.467 4.714 50 0 KJAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C(C(=O)Oc4ccc(Cl)cc4Cl)=C[C@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]32)cc1 ZINC000244866599 572200248 /nfs/dbraw/zinc/20/02/48/572200248.db2.gz VYTVGGOZMFJTFW-SFZPIKBYSA-N 0 0 647.467 4.714 50 0 KJAARN COc1ccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCC(=O)NCCc2ccccc2)cc1 ZINC000244950811 572200937 /nfs/dbraw/zinc/20/09/37/572200937.db2.gz FMXIIORFKVQQGB-UHFFFAOYSA-N 0 0 510.619 4.840 50 0 KJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccncc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000244955807 572200706 /nfs/dbraw/zinc/20/07/06/572200706.db2.gz GANHTJMTGHOHBX-NDBXHCKUSA-N 0 0 667.854 4.919 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cnccc3NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)cc2)C1 ZINC000244955808 572200813 /nfs/dbraw/zinc/20/08/13/572200813.db2.gz GANHTJMTGHOHBX-ZFFYZDHPSA-N 0 0 667.854 4.919 50 0 KJAARN CCOC(=O)c1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccc(C)cc2C)Cc2cccc(OC)c2O3)c1 ZINC000244970248 572200931 /nfs/dbraw/zinc/20/09/31/572200931.db2.gz HPEYHLBTWWAIAH-UHFFFAOYSA-N 0 0 527.577 4.776 50 0 KJAARN COc1ccc(CNC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000244970261 572200739 /nfs/dbraw/zinc/20/07/39/572200739.db2.gz HQBQPNZCZBHQMT-UHFFFAOYSA-N 0 0 526.618 4.807 50 0 KJAARN CC[C@@H](C)NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccccc2Cl)c1 ZINC000245171671 572201382 /nfs/dbraw/zinc/20/13/82/572201382.db2.gz XPFULKIQSDDWLD-SBHAEUEKSA-N 0 0 519.045 4.906 50 0 KJAARN O=c1[nH]c2c(s1)[C@H](c1ccc(O)cc1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000245225693 572202664 /nfs/dbraw/zinc/20/26/64/572202664.db2.gz FELUIYKQARLEKP-BYXVQRNISA-N 0 0 544.576 4.839 50 0 KJAARN O=c1[nH]c2c(s1)[C@@H](c1ccc(O)cc1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000245225694 572202666 /nfs/dbraw/zinc/20/26/66/572202666.db2.gz FELUIYKQARLEKP-DXXZMKCOSA-N 0 0 544.576 4.839 50 0 KJAARN O=c1[nH]c2c(s1)[C@@H](c1ccc(O)cc1)[C@H]1[C@H]3C[C@@H]([C@@H]1S2)[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]31 ZINC000245225695 572202712 /nfs/dbraw/zinc/20/27/12/572202712.db2.gz FELUIYKQARLEKP-LXKXAPTBSA-N 0 0 544.576 4.839 50 0 KJAARN O=c1[nH]c2c(s1)[C@H](c1ccc(O)cc1)[C@H]1[C@H]3C[C@@H]([C@@H]1S2)[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]31 ZINC000245225696 572202747 /nfs/dbraw/zinc/20/27/47/572202747.db2.gz FELUIYKQARLEKP-PDKYLHCFSA-N 0 0 544.576 4.839 50 0 KJAARN COC(=O)c1c(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000245226338 560037269 /nfs/dbraw/zinc/03/72/69/560037269.db2.gz RHERRZJDVNWUSM-GOEWEAILSA-N 0 0 512.672 4.729 50 0 biogenic,in-vitro KJAARN COC(=O)c1c(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000245226339 560037217 /nfs/dbraw/zinc/03/72/17/560037217.db2.gz RHERRZJDVNWUSM-HPKXWHFBSA-N 0 0 512.672 4.729 50 0 biogenic,in-vitro KJAARN COC(=O)c1c(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000245226340 560037247 /nfs/dbraw/zinc/03/72/47/560037247.db2.gz RHERRZJDVNWUSM-LFGPKHSOSA-N 0 0 512.672 4.729 50 0 biogenic,in-vitro KJAARN CC1=C[C@H]([C@@H]2CC(=O)N(Cc3ccccc3Cl)C2=O)C[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]12 ZINC000245227835 572204684 /nfs/dbraw/zinc/20/46/84/572204684.db2.gz QRQWFOADMVZXEL-KTIHBUSBSA-N 0 0 511.405 4.636 50 0 KJAARN CCOC(=O)C1=C(C)C2(Br)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000245231731 572209165 /nfs/dbraw/zinc/20/91/65/572209165.db2.gz JRKPKOCHWCHIKT-ROVDASJOSA-N 0 0 646.321 4.952 50 0 KJAARN CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12 ZINC000245231809 572209151 /nfs/dbraw/zinc/20/91/51/572209151.db2.gz JSFPBFCXLKEATQ-URBGSVJMSA-N 0 0 656.327 4.652 50 0 KJAARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(c3ccccc3)C=CC2[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]21 ZINC000245232586 572209858 /nfs/dbraw/zinc/20/98/58/572209858.db2.gz YHXQNOBAAZOIFD-GSZPLPQPSA-N 0 0 562.622 4.533 50 0 KJAARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(c3ccccc3)C=C[C@H]2[C@@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]21 ZINC000245232587 572209804 /nfs/dbraw/zinc/20/98/04/572209804.db2.gz YHXQNOBAAZOIFD-KLEFJXAISA-N 0 0 562.622 4.533 50 0 KJAARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(c3ccccc3)C=C[C@H]2[C@@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@@H]21 ZINC000245232588 572209875 /nfs/dbraw/zinc/20/98/75/572209875.db2.gz YHXQNOBAAZOIFD-YECKOWRCSA-N 0 0 562.622 4.533 50 0 KJAARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(c3ccccc3)C=C[C@H]2[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@@H]21 ZINC000245232589 572209854 /nfs/dbraw/zinc/20/98/54/572209854.db2.gz YHXQNOBAAZOIFD-YJEXGGNUSA-N 0 0 562.622 4.533 50 0 KJAARN CCOC(=O)[C@]12C(=O)Oc3ccc(Br)cc3[C@H]1[C@]2(C)C(=O)c1ccc(Br)cc1 ZINC000245234735 572209817 /nfs/dbraw/zinc/20/98/17/572209817.db2.gz DGPVGDSSBVTFIC-DQLDELGASA-N 0 0 508.162 4.667 50 0 KJAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3cccc(C)c3)[C@H](C)C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000245235467 572210174 /nfs/dbraw/zinc/21/01/74/572210174.db2.gz KVZIIHZSDPWGNK-RIGQTMPJSA-N 0 0 525.649 4.586 50 0 KJAARN Cc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1 ZINC000245235771 572210138 /nfs/dbraw/zinc/21/01/38/572210138.db2.gz NEDFVRJIQPMVIX-LAWREARLSA-N 0 0 509.389 4.818 50 0 KJAARN COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1OC ZINC000245235772 572210106 /nfs/dbraw/zinc/21/01/06/572210106.db2.gz NGCVIQCMSGHQNA-DFIMXKNXSA-N 0 0 555.414 4.527 50 0 KJAARN COc1cccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1 ZINC000245235780 572210084 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O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000245328313 572234815 /nfs/dbraw/zinc/23/48/15/572234815.db2.gz MXOGUWZOPWWIKU-RCZVLFRGSA-N 0 0 579.115 4.915 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000245328411 572234894 /nfs/dbraw/zinc/23/48/94/572234894.db2.gz OIYDXKCYVBMBNJ-KBMIEXCESA-N 0 0 546.686 4.890 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000245328413 572234789 /nfs/dbraw/zinc/23/47/89/572234789.db2.gz OIYDXKCYVBMBNJ-UQBPGWFLSA-N 0 0 546.686 4.890 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000245328749 572235111 /nfs/dbraw/zinc/23/51/11/572235111.db2.gz PGYBBMXUFHWTKX-IDISGSTGSA-N 0 0 533.673 4.562 50 0 KJAARN CCc1ccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000245329077 572235328 /nfs/dbraw/zinc/23/53/28/572235328.db2.gz QOTJJZOGZBEEPZ-ONOMSOESSA-N 0 0 517.695 4.640 50 0 KJAARN CCCC(=O)N1CCC(C(=O)N[C@H]2CC[C@H](N(Cc3ccccc3)C(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000245329185 572235651 /nfs/dbraw/zinc/23/56/51/572235651.db2.gz RHIDHBVELMHLBC-MCZWQBSQSA-N 0 0 519.686 4.804 50 0 KJAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C1=O ZINC000245329219 572235639 /nfs/dbraw/zinc/23/56/39/572235639.db2.gz YFLRBLNXCVATHI-YPAWHYETSA-N 0 0 517.994 4.912 50 0 KJAARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCc2nc4ccccc4[nH]2)n3C[C@H]2CCCO2)C1 ZINC000245329576 572235959 /nfs/dbraw/zinc/23/59/59/572235959.db2.gz SUIGFJISDORYRE-RBUKOAKNSA-N 0 0 525.700 4.805 50 0 KJAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCc2nc4ccccc4[nH]2)n3C[C@H]2CCCO2)C1 ZINC000245329579 572236118 /nfs/dbraw/zinc/23/61/18/572236118.db2.gz SUIGFJISDORYRE-RTBURBONSA-N 0 0 525.700 4.805 50 0 KJAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000245329633 572236054 /nfs/dbraw/zinc/23/60/54/572236054.db2.gz ULDPECOIJNHTRZ-HFJWLAOPSA-N 0 0 512.050 4.861 50 0 KJAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(F)c1)[C@@H](c1ccc(F)cc1)N1[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@@H](c3ccc(F)cc3)N21 ZINC000245330125 572236018 /nfs/dbraw/zinc/23/60/18/572236018.db2.gz XHZAVIPNIGPGBP-RWJWSVIKSA-N 0 0 626.566 4.688 50 0 KJAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(F)c1)[C@@H](c1ccc(F)cc1)N1[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@@H](c3ccc(F)cc3)N21 ZINC000245330126 572236021 /nfs/dbraw/zinc/23/60/21/572236021.db2.gz XHZAVIPNIGPGBP-XBSCKGQLSA-N 0 0 626.566 4.688 50 0 KJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000245330336 572236504 /nfs/dbraw/zinc/23/65/04/572236504.db2.gz XRMNULJLQCBWDH-KBMIEXCESA-N 0 0 546.686 4.890 50 0 KJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000245330339 572236362 /nfs/dbraw/zinc/23/63/62/572236362.db2.gz XRMNULJLQCBWDH-UQBPGWFLSA-N 0 0 546.686 4.890 50 0 KJAARN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000245330453 572236353 /nfs/dbraw/zinc/23/63/53/572236353.db2.gz YYVQOMKVKDVQPK-RXYILKCJSA-N 0 0 511.732 4.980 50 0 KJAARN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000245330454 572236397 /nfs/dbraw/zinc/23/63/97/572236397.db2.gz YYVQOMKVKDVQPK-RZIGYZOXSA-N 0 0 511.732 4.980 50 0 KJAARN CC[C@@H](C)NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000245338895 572236853 /nfs/dbraw/zinc/23/68/53/572236853.db2.gz PDYYROWCRGZFAR-SKSUNZSWSA-N 0 0 510.638 4.652 50 0 KJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000245339108 572236884 /nfs/dbraw/zinc/23/68/84/572236884.db2.gz QLTLNMXEVQSQOL-GDLZYMKVSA-N 0 0 551.778 4.916 50 0 KJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000245343031 572237383 /nfs/dbraw/zinc/23/73/83/572237383.db2.gz CLPUZLYPUSNSEL-SHQCIBLASA-N 0 0 554.734 4.740 50 0 KJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000245343032 572237312 /nfs/dbraw/zinc/23/73/12/572237312.db2.gz CLPUZLYPUSNSEL-SQHAQQRYSA-N 0 0 554.734 4.740 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1Cl ZINC000245343039 572237233 /nfs/dbraw/zinc/23/72/33/572237233.db2.gz CQBZARAWKSDUGM-BVZFJXPGSA-N 0 0 559.494 4.743 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000245343075 572237366 /nfs/dbraw/zinc/23/73/66/572237366.db2.gz DOFFVQKJVDDXIL-CHJDUVSTSA-N 0 0 586.664 4.978 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000245343088 572237278 /nfs/dbraw/zinc/23/72/78/572237278.db2.gz FDDQDZOWYUEWSN-QYBDOPJKSA-N 0 0 589.520 4.752 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000245343116 572237209 /nfs/dbraw/zinc/23/72/09/572237209.db2.gz FZINNXYDKRNURS-BVZFJXPGSA-N 0 0 559.494 4.743 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Cl)c4)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000245343173 572237707 /nfs/dbraw/zinc/23/77/07/572237707.db2.gz HESLAXFJYDRETO-XPWALMASSA-N 0 0 554.828 4.761 50 0 KJAARN CSc1cccc(NC(=S)Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000245343208 572237741 /nfs/dbraw/zinc/23/77/41/572237741.db2.gz IBPYVNJIGBEXBF-JCTONOIOSA-N 0 0 589.787 4.912 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000245343248 572238098 /nfs/dbraw/zinc/23/80/98/572238098.db2.gz JNQBTWDSOBSRFN-XPWALMASSA-N 0 0 554.828 4.761 50 0 KJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2CCn2c(=O)c3ccccc3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000245343252 572238268 /nfs/dbraw/zinc/23/82/68/572238268.db2.gz JREIRVBIALBADR-VEYUFSJPSA-N 0 0 688.920 5.000 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2F)C[C@H]2CCCO2)cc1 ZINC000245343258 572238077 /nfs/dbraw/zinc/23/80/77/572238077.db2.gz JUDITFRQUKYAKR-PXDATVDWSA-N 0 0 558.697 4.570 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245343296 572238075 /nfs/dbraw/zinc/23/80/75/572238075.db2.gz KVKMEFUIWZRXNS-XDHUDOTRSA-N 0 0 579.019 4.719 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000245343322 572238056 /nfs/dbraw/zinc/23/80/56/572238056.db2.gz LUVSMDDQTIBCHU-BVZFJXPGSA-N 0 0 559.494 4.662 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(SC)cc4)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000245343353 572238655 /nfs/dbraw/zinc/23/86/55/572238655.db2.gz MNWWZZSIMSKFSL-TZRRMPRUSA-N 0 0 566.477 4.830 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000245343357 572238543 /nfs/dbraw/zinc/23/85/43/572238543.db2.gz MPQNUFJDQUBFIC-GKVSMKOHSA-N 0 0 629.994 4.945 50 0 KJAARN O=C(Nc1ccc(Cl)cc1)Nc1cc(C(=O)NC[C@H]2CCCO2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000245343364 572238467 /nfs/dbraw/zinc/23/84/67/572238467.db2.gz MXDDRPOZXARJCA-NHCICSSKSA-N 0 0 562.070 4.678 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000245343389 572238568 /nfs/dbraw/zinc/23/85/68/572238568.db2.gz NOMDJEXLUGYTFL-HJPURHCSSA-N 0 0 565.523 4.805 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)C[C@H]2CCCO2)cc1 ZINC000245343390 572238650 /nfs/dbraw/zinc/23/86/50/572238650.db2.gz NOODVGNCCPCXKT-ZEQKJWHPSA-N 0 0 558.697 4.570 50 0 KJAARN COc1cccc(NC(=O)Nc2cc(C(=O)NC[C@H]3COc4ccccc4O3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000245343396 572238472 /nfs/dbraw/zinc/23/84/72/572238472.db2.gz NRSHYDRAGOVPLD-SHQBLQIYSA-N 0 0 621.694 4.694 50 0 KJAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4OC)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000245343442 572238926 /nfs/dbraw/zinc/23/89/26/572238926.db2.gz OXTBWQHAKSYZED-TZRRMPRUSA-N 0 0 629.305 4.879 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccccc2OCC)cc1 ZINC000245343452 572238948 /nfs/dbraw/zinc/23/89/48/572238948.db2.gz PFPLKXKFYKWWIW-UBFVSLLYSA-N 0 0 564.436 4.506 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000245343465 572239046 /nfs/dbraw/zinc/23/90/46/572239046.db2.gz POLKIRUAUIUNML-JHOBJCJYSA-N 0 0 568.674 4.839 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000245343469 572238957 /nfs/dbraw/zinc/23/89/57/572238957.db2.gz PREFZVJLJKAOHB-GKVSMKOHSA-N 0 0 577.484 4.882 50 0 KJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccccc2C)C[C@H]2CCCO2)cc1 ZINC000245343477 572238955 /nfs/dbraw/zinc/23/89/55/572238955.db2.gz PTWWZHWBVJJVGM-ZEQKJWHPSA-N 0 0 554.734 4.740 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000245343528 572239027 /nfs/dbraw/zinc/23/90/27/572239027.db2.gz QYPMHMXMUKIATN-GKVSMKOHSA-N 0 0 577.484 4.882 50 0 KJAARN CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000245343574 572239315 /nfs/dbraw/zinc/23/93/15/572239315.db2.gz SLYHRRLPTAZKKW-ISKFKSNPSA-N 0 0 500.039 4.911 50 0 KJAARN CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000245343575 572239371 /nfs/dbraw/zinc/23/93/71/572239371.db2.gz SLYHRRLPTAZKKW-LADGPHEKSA-N 0 0 500.039 4.911 50 0 KJAARN C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000245343578 572239359 /nfs/dbraw/zinc/23/93/59/572239359.db2.gz SMJBVKRFXXMFFP-ACSYHNTCSA-N 0 0 523.649 4.666 50 0 KJAARN C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000245343579 572239489 /nfs/dbraw/zinc/23/94/89/572239489.db2.gz SMJBVKRFXXMFFP-AFJIDDCJSA-N 0 0 523.649 4.666 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000245343595 572239517 /nfs/dbraw/zinc/23/95/17/572239517.db2.gz SVVLEPNZQQIHJH-IDISGSTGSA-N 0 0 563.699 4.506 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000245343616 572239469 /nfs/dbraw/zinc/23/94/69/572239469.db2.gz UEOGJGCBVXOSPV-XDHUDOTRSA-N 0 0 579.019 4.719 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000245343624 572239408 /nfs/dbraw/zinc/23/94/08/572239408.db2.gz UHSIEQHRHCFPLG-DFBJGRDBSA-N 0 0 573.616 4.765 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000245343626 572239528 /nfs/dbraw/zinc/23/95/28/572239528.db2.gz UPUGZIPPRXWCTN-ZTOMLWHTSA-N 0 0 576.738 4.743 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000245343627 572239412 /nfs/dbraw/zinc/23/94/12/572239412.db2.gz UQKIMCKTSMVHFN-QYBDOPJKSA-N 0 0 589.520 4.752 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(OC)cc2)N2[C@@H]4C(=O)N(c5ccc(OCC)cc5)C(=O)[C@H]4[C@@H](c4ccc(OC)cc4)N32)cc1 ZINC000245343631 572239504 /nfs/dbraw/zinc/23/95/04/572239504.db2.gz UUWHLOSNSMEHMV-BAMNLDOISA-N 0 0 702.764 4.946 50 0 KJAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(OC)cc2)N2[C@H]4C(=O)N(c5ccc(OCC)cc5)C(=O)[C@H]4[C@@H](c4ccc(OC)cc4)N32)cc1 ZINC000245343632 572239339 /nfs/dbraw/zinc/23/93/39/572239339.db2.gz UUWHLOSNSMEHMV-UWNKZCSISA-N 0 0 702.764 4.946 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000245343663 572239852 /nfs/dbraw/zinc/23/98/52/572239852.db2.gz VNYGCADPLWNHQR-QYBDOPJKSA-N 0 0 589.520 4.752 50 0 KJAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000245343669 572239906 /nfs/dbraw/zinc/23/99/06/572239906.db2.gz VTIJLEOELLSUEX-BVAGGSTKSA-N 0 0 591.151 4.785 50 0 KJAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000245343670 572239752 /nfs/dbraw/zinc/23/97/52/572239752.db2.gz VTIJLEOELLSUEX-ZEQKJWHPSA-N 0 0 591.151 4.785 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000245343702 572239867 /nfs/dbraw/zinc/23/98/67/572239867.db2.gz XJFWXWKPZZQHAA-BVZFJXPGSA-N 0 0 576.591 4.594 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000245343714 572239909 /nfs/dbraw/zinc/23/99/09/572239909.db2.gz XPPGTBWIIFIGSG-GKVSMKOHSA-N 0 0 577.484 4.882 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000245343737 572239764 /nfs/dbraw/zinc/23/97/64/572239764.db2.gz YJHDYMCZOVIURG-IADCTJSHSA-N 0 0 596.794 4.591 50 0 KJAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 ZINC000245343748 572239756 /nfs/dbraw/zinc/23/97/56/572239756.db2.gz YOYIDUCYIYDCOA-ZEQKJWHPSA-N 0 0 591.151 4.785 50 0 KJAARN 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572243374 /nfs/dbraw/zinc/24/33/74/572243374.db2.gz JLXVOHCEACNGOK-LWSSLDFYSA-N 0 0 521.470 4.999 50 0 KJAARN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)[C@@H]4ON3c3ccccc3)cc2)N(C)N1 ZINC000247743947 572244456 /nfs/dbraw/zinc/24/44/56/572244456.db2.gz PJAHPKZIAHIBAP-DKVZCVDGSA-N 0 0 581.456 4.547 50 0 KJAARN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)[C@H]4ON3c3ccccc3)cc2)N(C)N1 ZINC000247743951 572244390 /nfs/dbraw/zinc/24/43/90/572244390.db2.gz PJAHPKZIAHIBAP-NHNMTILXSA-N 0 0 581.456 4.547 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000247746423 572244417 /nfs/dbraw/zinc/24/44/17/572244417.db2.gz PWMYXGFYMMHRTG-LWSSLDFYSA-N 0 0 509.528 4.988 50 0 KJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000247746429 572244477 /nfs/dbraw/zinc/24/44/77/572244477.db2.gz PWMYXGFYMMHRTG-YCAMKHIRSA-N 0 0 509.528 4.988 50 0 KJAARN 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/nfs/dbraw/zinc/24/47/62/572244762.db2.gz ZCXXUEHMDPRKLK-LWSSLDFYSA-N 0 0 514.379 4.603 50 0 KJAARN O=C(c1ccc(F)cc1)N1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000247798001 572245081 /nfs/dbraw/zinc/24/50/81/572245081.db2.gz DLKRGWMOIRERGG-UHFFFAOYSA-N 0 0 543.618 4.500 50 0 KJAARN O=C(c1ccccc1)N1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247800087 572244956 /nfs/dbraw/zinc/24/49/56/572244956.db2.gz FISSNFBHTTXNSN-UHFFFAOYSA-N 0 0 586.534 4.985 50 0 KJAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000247808132 572245417 /nfs/dbraw/zinc/24/54/17/572245417.db2.gz BAFBBVDTECOYKN-FQUZAXHOSA-N 0 0 512.949 4.525 50 0 KJAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000247808137 572245233 /nfs/dbraw/zinc/24/52/33/572245233.db2.gz BAFBBVDTECOYKN-ZYQDXHPFSA-N 0 0 512.949 4.525 50 0 KJAARN COC(=O)c1c(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000247809958 572245266 /nfs/dbraw/zinc/24/52/66/572245266.db2.gz BZEBSKPDAZNBEI-IUGBQFMMSA-N 0 0 500.636 4.859 50 0 KJAARN COC(=O)c1c(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000247809961 572245347 /nfs/dbraw/zinc/24/53/47/572245347.db2.gz BZEBSKPDAZNBEI-NFCJYOSASA-N 0 0 500.636 4.859 50 0 KJAARN COC(=O)c1c(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000247809963 572245256 /nfs/dbraw/zinc/24/52/56/572245256.db2.gz BZEBSKPDAZNBEI-ZJSFPPFMSA-N 0 0 500.636 4.859 50 0 KJAARN COC(=O)CC[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]3CC(=O)[C@@]21C ZINC000247818112 572245547 /nfs/dbraw/zinc/24/55/47/572245547.db2.gz GVIZCQOBODPSLY-XKPYJFIGSA-N 0 0 504.664 4.887 50 0 KJAARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000247827141 572245691 /nfs/dbraw/zinc/24/56/91/572245691.db2.gz JKBZMRPCRFBGNU-LUKWVAJMSA-N 0 0 534.797 4.864 50 0 KJAARN 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CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1nc2ccccc2n1C ZINC000252538792 572262960 /nfs/dbraw/zinc/26/29/60/572262960.db2.gz NICXNTGTCSBYQH-WZPUHGRKSA-N 0 0 641.769 4.893 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)NC3CCCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252538917 572263119 /nfs/dbraw/zinc/26/31/19/572263119.db2.gz NIXVSBBWVLJLGH-CLOONOSVSA-N 0 0 565.711 4.893 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)NC3CCCCCCC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252538918 572263113 /nfs/dbraw/zinc/26/31/13/572263113.db2.gz NIXVSBBWVLJLGH-KBMIEXCESA-N 0 0 565.711 4.893 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CCCCCCC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252538919 572263111 /nfs/dbraw/zinc/26/31/11/572263111.db2.gz NIXVSBBWVLJLGH-UQBPGWFLSA-N 0 0 565.711 4.893 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3nc4c(s3)CCC4)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252538920 572263114 /nfs/dbraw/zinc/26/31/14/572263114.db2.gz NIYIYLBOTBYWCY-HSZRJFAPSA-N 0 0 620.772 5.419 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3nc(C)c(C)s3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252539858 572263086 /nfs/dbraw/zinc/26/30/86/572263086.db2.gz ONUXHYYRDNVCFL-XMMPIXPASA-N 0 0 608.761 5.547 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3cc(C)n(C)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252539888 572263109 /nfs/dbraw/zinc/26/31/09/572263109.db2.gz OQELXRYZYAFYOX-XMMPIXPASA-N 0 0 591.709 4.516 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)NCc3nc4ccccc4n3C)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540086 572263098 /nfs/dbraw/zinc/26/30/98/572263098.db2.gz OSEZKZKNRVRCBU-GPNASLBKSA-N 0 0 627.742 4.503 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)NCc3nc4ccccc4n3C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252540089 572263080 /nfs/dbraw/zinc/26/30/80/572263080.db2.gz OSEZKZKNRVRCBU-NRUKRWIHSA-N 0 0 627.742 4.503 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCc3nc4ccccc4n3C)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540093 572263072 /nfs/dbraw/zinc/26/30/72/572263072.db2.gz OSEZKZKNRVRCBU-QNLPTKCRSA-N 0 0 627.742 4.503 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCc3ccco3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540384 572263108 /nfs/dbraw/zinc/26/31/08/572263108.db2.gz PHYRYLLDPYGJIY-RUZDIDTESA-N 0 0 577.678 4.745 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCc3ccncc3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540532 572263085 /nfs/dbraw/zinc/26/30/85/572263085.db2.gz PKXUKAPTFORUIX-AREMUKBSSA-N 0 0 588.705 4.547 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3nnc(C(C)C)[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540588 572263251 /nfs/dbraw/zinc/26/32/51/572263251.db2.gz POWRHBROCXZBRM-ISKFKSNPSA-N 0 0 606.724 4.570 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3nnc(C(C)C)[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252540589 572263237 /nfs/dbraw/zinc/26/32/37/572263237.db2.gz POWRHBROCXZBRM-LADGPHEKSA-N 0 0 606.724 4.570 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3nnc(C(C)C)[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540590 572263218 /nfs/dbraw/zinc/26/32/18/572263218.db2.gz POWRHBROCXZBRM-VWNXMTODSA-N 0 0 606.724 4.570 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCCCc3nnc4ccccn43)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252548596 572263193 /nfs/dbraw/zinc/26/31/93/572263193.db2.gz QFFFMVGCWBIIQG-HHHXNRCGSA-N 0 0 656.784 4.627 50 0 KJAARN COC(=O)CC1CCN(C(=O)CCCCCNc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1 ZINC000252548783 572263210 /nfs/dbraw/zinc/26/32/10/572263210.db2.gz QKSYTVWDHVFKBT-HHHXNRCGSA-N 0 0 637.774 4.637 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@H](CCSC)c3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252548817 572263192 /nfs/dbraw/zinc/26/31/92/572263192.db2.gz QMERWRQQLBEGMD-AHKZPQOWSA-N 0 0 674.824 4.708 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H](CCSC)c3nnc4ccccn43)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252548821 572263214 /nfs/dbraw/zinc/26/32/14/572263214.db2.gz QMERWRQQLBEGMD-VPUSJEBWSA-N 0 0 674.824 4.708 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@H](CCSC)c3nnc4ccccn43)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252548824 572263175 /nfs/dbraw/zinc/26/31/75/572263175.db2.gz QMERWRQQLBEGMD-XNMGPUDCSA-N 0 0 674.824 4.708 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3nc(C)cs3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252549303 572263355 /nfs/dbraw/zinc/26/33/55/572263355.db2.gz RCYGGJPOCWTBQH-HSZRJFAPSA-N 0 0 594.734 5.239 50 0 KJAARN CCOc1ccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SCC(=O)NCc2ccco2)cc1 ZINC000252549462 572263305 /nfs/dbraw/zinc/26/33/05/572263305.db2.gz RGJAERQMDMSHBR-UHFFFAOYSA-N 0 0 500.580 4.781 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCc3nccs3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252549497 572263312 /nfs/dbraw/zinc/26/33/12/572263312.db2.gz RJLGYVJCYNUQJP-XMMPIXPASA-N 0 0 608.761 4.651 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCC(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252549674 572263322 /nfs/dbraw/zinc/26/33/22/572263322.db2.gz RQTMGTAWTSXJEW-RUZDIDTESA-N 0 0 567.727 4.998 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCN(c4ccccc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252550169 572263290 /nfs/dbraw/zinc/26/32/90/572263290.db2.gz SDGKULSVOISKDF-DGPALRBDSA-N 0 0 660.837 4.745 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)N3CCN(c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252550170 572263319 /nfs/dbraw/zinc/26/33/19/572263319.db2.gz SDGKULSVOISKDF-MFMCTBQISA-N 0 0 660.837 4.745 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)N3CCN(c4ccccc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252550171 572263391 /nfs/dbraw/zinc/26/33/91/572263391.db2.gz SDGKULSVOISKDF-PQHLKRTFSA-N 0 0 660.837 4.745 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc(-c4ccccn4)cs3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252550353 572263295 /nfs/dbraw/zinc/26/32/95/572263295.db2.gz SLLIQSICHBJSJY-HSZRJFAPSA-N 0 0 629.739 5.212 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCOC(C)C ZINC000252550568 572263476 /nfs/dbraw/zinc/26/34/76/572263476.db2.gz STUGXTCGTMFMHA-FOKKRWDCSA-N 0 0 597.753 4.621 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCOC(C)C ZINC000252550569 572263427 /nfs/dbraw/zinc/26/34/27/572263427.db2.gz STUGXTCGTMFMHA-GLKRMMSRSA-N 0 0 597.753 4.621 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCOC(C)C ZINC000252550570 572263483 /nfs/dbraw/zinc/26/34/83/572263483.db2.gz STUGXTCGTMFMHA-KCEUKEJRSA-N 0 0 597.753 4.621 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCOC(C)C ZINC000252550571 572263473 /nfs/dbraw/zinc/26/34/73/572263473.db2.gz STUGXTCGTMFMHA-QIAHQPDOSA-N 0 0 597.753 4.621 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCCOC(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252550632 572263424 /nfs/dbraw/zinc/26/34/24/572263424.db2.gz SVZSFUWUMPVAOH-AREMUKBSSA-N 0 0 597.753 4.767 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCC(c4nnc5ccccn54)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252550643 572263441 /nfs/dbraw/zinc/26/34/41/572263441.db2.gz SWFUYHWVEFUFIW-HHHXNRCGSA-N 0 0 654.768 4.504 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nc4c(s3)CCCCC4)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252551108 572263404 /nfs/dbraw/zinc/26/34/04/572263404.db2.gz UALLBOHAZZGPSJ-HSZRJFAPSA-N 0 0 620.772 5.419 50 0 KJAARN CCOC(=O)c1csc(NC(=O)CCCCCNc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1 ZINC000252552520 572263470 /nfs/dbraw/zinc/26/34/70/572263470.db2.gz UVKUWXLEKWNBQJ-HSZRJFAPSA-N 0 0 652.770 5.107 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nccs1 ZINC000252552604 572263585 /nfs/dbraw/zinc/26/35/85/572263585.db2.gz UXXWTMGFHUGNFG-ORPQDFNRSA-N 0 0 580.707 4.785 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nccs1 ZINC000252552606 572263592 /nfs/dbraw/zinc/26/35/92/572263592.db2.gz UXXWTMGFHUGNFG-YGNPSHASSA-N 0 0 580.707 4.785 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nccs1 ZINC000252552609 572263598 /nfs/dbraw/zinc/26/35/98/572263598.db2.gz UXXWTMGFHUGNFG-ZJEXDUHMSA-N 0 0 580.707 4.785 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nccs1 ZINC000252552611 572263581 /nfs/dbraw/zinc/26/35/81/572263581.db2.gz UXXWTMGFHUGNFG-ZUTJGWLVSA-N 0 0 580.707 4.785 50 0 KJAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c2c1 ZINC000252552849 572263595 /nfs/dbraw/zinc/26/35/95/572263595.db2.gz VBAWGYYYTMDPOT-GDJIYFAZSA-N 0 0 628.726 4.512 50 0 KJAARN COc1ccc2[nH]cc(CCNC(=O)[C@H](C)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c2c1 ZINC000252552853 572263604 /nfs/dbraw/zinc/26/36/04/572263604.db2.gz VBAWGYYYTMDPOT-HMILPKGGSA-N 0 0 628.726 4.512 50 0 KJAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c2c1 ZINC000252552856 572263584 /nfs/dbraw/zinc/26/35/84/572263584.db2.gz VBAWGYYYTMDPOT-WHLCRQNOSA-N 0 0 628.726 4.512 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N[C@H](CC(C)C)c3nnc4ccccn43)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252569029 572263560 /nfs/dbraw/zinc/26/35/60/572263560.db2.gz VUUBYMFYNQBUJJ-CMTYHFORSA-N 0 0 642.757 4.610 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N[C@@H](CC(C)C)c3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252569030 572263600 /nfs/dbraw/zinc/26/36/00/572263600.db2.gz VUUBYMFYNQBUJJ-RAHIQWLESA-N 0 0 642.757 4.610 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N[C@@H](CC(C)C)c3nnc4ccccn43)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252569031 572263602 /nfs/dbraw/zinc/26/36/02/572263602.db2.gz VUUBYMFYNQBUJJ-WMBPSLEXSA-N 0 0 642.757 4.610 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N[C@H](CC(C)C)c3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252569032 572263574 /nfs/dbraw/zinc/26/35/74/572263574.db2.gz VUUBYMFYNQBUJJ-ZBKJKTKLSA-N 0 0 642.757 4.610 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccccn3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252569063 572263617 /nfs/dbraw/zinc/26/36/17/572263617.db2.gz VWKIKZZXSXYLRA-XMMPIXPASA-N 0 0 574.678 4.869 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)NC3CCCCCC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252569109 572263596 /nfs/dbraw/zinc/26/35/96/572263596.db2.gz WAMXTLXMRYMBCZ-HOYKHHGWSA-N 0 0 551.684 4.502 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)NC3CCCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252569110 572263557 /nfs/dbraw/zinc/26/35/57/572263557.db2.gz WAMXTLXMRYMBCZ-KOSHJBKYSA-N 0 0 551.684 4.502 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CCCCCC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252569111 572263570 /nfs/dbraw/zinc/26/35/70/572263570.db2.gz WAMXTLXMRYMBCZ-MHECFPHRSA-N 0 0 551.684 4.502 50 0 KJAARN 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546.652 4.569 50 0 KJAARN COC(=O)C1=C(C)N=c2sc(=Cc3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000252667459 572273678 /nfs/dbraw/zinc/27/36/78/572273678.db2.gz DDUAOQKIQXNVSN-LJAQVGFWSA-N 0 0 546.652 4.569 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252667977 572273986 /nfs/dbraw/zinc/27/39/86/572273986.db2.gz DQKBCZVGRQVGOG-RUZDIDTESA-N 0 0 593.455 4.550 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252667980 572273920 /nfs/dbraw/zinc/27/39/20/572273920.db2.gz DQKBCZVGRQVGOG-VWLOTQADSA-N 0 0 593.455 4.550 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252667990 572273992 /nfs/dbraw/zinc/27/39/92/572273992.db2.gz DQQJRBJHGJMXCH-MUUNZHRXSA-N 0 0 594.611 4.803 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252667993 572273905 /nfs/dbraw/zinc/27/39/05/572273905.db2.gz 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CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252672308 572277757 /nfs/dbraw/zinc/27/77/57/572277757.db2.gz PVVNAXLMFQPQRJ-RUZDIDTESA-N 0 0 609.473 4.551 50 0 KJAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252672309 572277755 /nfs/dbraw/zinc/27/77/55/572277755.db2.gz PVVNAXLMFQPQRJ-VWLOTQADSA-N 0 0 609.473 4.551 50 0 KJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(OC(C)C)cc4)c(=O)n32)cc1 ZINC000252672363 572277857 /nfs/dbraw/zinc/27/78/57/572277857.db2.gz PZSRONGWRZQYSR-MUUNZHRXSA-N 0 0 539.657 4.670 50 0 KJAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(OC(C)C)cc4)c(=O)n32)cc1 ZINC000252672364 572277848 /nfs/dbraw/zinc/27/78/48/572277848.db2.gz PZSRONGWRZQYSR-NDEPHWFRSA-N 0 0 539.657 4.670 50 0 KJAARN COC(=O)c1ccccc1-c1ccc(C=c2sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 ZINC000252672543 572277832 /nfs/dbraw/zinc/27/78/32/572277832.db2.gz QFAUCCBXXMAXLN-HHHXNRCGSA-N 0 0 581.675 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/nfs/dbraw/zinc/27/82/54/572278254.db2.gz RFPLHQLMBYZYQT-MHZLTWQESA-N 0 0 589.069 4.680 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000252673623 572278263 /nfs/dbraw/zinc/27/82/63/572278263.db2.gz RGDPLCSTVRYOJS-GDLZYMKVSA-N 0 0 602.684 4.924 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccc(F)cc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000252673624 572278307 /nfs/dbraw/zinc/27/83/07/572278307.db2.gz RGDPLCSTVRYOJS-LJAQVGFWSA-N 0 0 602.684 4.924 50 0 KJAARN COC(=O)C1=C(C)N=c2sc(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252673642 572278299 /nfs/dbraw/zinc/27/82/99/572278299.db2.gz RGWFKJWBINJETL-GDLZYMKVSA-N 0 0 597.096 4.923 50 0 KJAARN COC(=O)C1=C(C)N=c2sc(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252673643 572278309 /nfs/dbraw/zinc/27/83/09/572278309.db2.gz RGWFKJWBINJETL-LJAQVGFWSA-N 0 0 597.096 4.923 50 0 KJAARN COc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br ZINC000252673658 572278280 /nfs/dbraw/zinc/27/82/80/572278280.db2.gz RHUYTTYXKGWTPO-JOCHJYFZSA-N 0 0 561.885 4.611 50 0 KJAARN COc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br ZINC000252673659 572278328 /nfs/dbraw/zinc/27/83/28/572278328.db2.gz RHUYTTYXKGWTPO-QFIPXVFZSA-N 0 0 561.885 4.611 50 0 KJAARN CCOc1ccc(C=c2sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000252673669 572278390 /nfs/dbraw/zinc/27/83/90/572278390.db2.gz RIBSFNYSIVNNTB-GDLZYMKVSA-N 0 0 524.642 4.735 50 0 KJAARN CCOc1ccc(C=c2sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000252673670 572278434 /nfs/dbraw/zinc/27/84/34/572278434.db2.gz RIBSFNYSIVNNTB-LJAQVGFWSA-N 0 0 524.642 4.735 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252673700 572278377 /nfs/dbraw/zinc/27/83/77/572278377.db2.gz RLAHZJVHYGMKBT-RUZDIDTESA-N 0 0 535.021 4.720 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000252673701 572278424 /nfs/dbraw/zinc/27/84/24/572278424.db2.gz RLAHZJVHYGMKBT-VWLOTQADSA-N 0 0 535.021 4.720 50 0 KJAARN COc1ccc(Cn2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)csc2=Nc2cccc(C)c2)cc1 ZINC000252673917 572278366 /nfs/dbraw/zinc/27/83/66/572278366.db2.gz RMJCQRBIVBHQKO-UHFFFAOYSA-N 0 0 535.691 4.835 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252673984 572278477 /nfs/dbraw/zinc/27/84/77/572278477.db2.gz RSLXEBSZKRVEOS-AREMUKBSSA-N 0 0 559.043 4.671 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccc(Cl)cc4)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000252673985 572278492 /nfs/dbraw/zinc/27/84/92/572278492.db2.gz RSLXEBSZKRVEOS-SANMLTNESA-N 0 0 559.043 4.671 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4ccccc4n3Cc3ccccc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252674157 572278499 /nfs/dbraw/zinc/27/84/99/572278499.db2.gz RULFNTZLHBHLOS-GDLZYMKVSA-N 0 0 533.653 4.801 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4ccccc4n3Cc3ccccc3)c(=O)n2[C@H]1c1ccccc1 ZINC000252674160 572278519 /nfs/dbraw/zinc/27/85/19/572278519.db2.gz RULFNTZLHBHLOS-LJAQVGFWSA-N 0 0 533.653 4.801 50 0 KJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)n2c(=O)c(=Cc3c[nH]nc3-c3ccccc3)sc2=N1 ZINC000252674271 572278597 /nfs/dbraw/zinc/27/85/97/572278597.db2.gz RXYOLFPYQSZKRW-HHHXNRCGSA-N 0 0 552.059 4.917 50 0 KJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2c(=O)c(=Cc3c[nH]nc3-c3ccccc3)sc2=N1 ZINC000252674272 572278594 /nfs/dbraw/zinc/27/85/94/572278594.db2.gz RXYOLFPYQSZKRW-MHZLTWQESA-N 0 0 552.059 4.917 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccc(I)cc4)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252674419 572278607 /nfs/dbraw/zinc/27/86/07/572278607.db2.gz SBQNTUDLZPNWNN-MUUNZHRXSA-N 0 0 666.537 4.991 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccc(I)cc4)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252674420 572278620 /nfs/dbraw/zinc/27/86/20/572278620.db2.gz SBQNTUDLZPNWNN-NDEPHWFRSA-N 0 0 666.537 4.991 50 0 KJAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4cccc(Cl)c4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252674431 572278589 /nfs/dbraw/zinc/27/85/89/572278589.db2.gz SCLACTUWCMNBMI-RUZDIDTESA-N 0 0 585.465 4.896 50 0 KJAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4cccc(Cl)c4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252674432 572278639 /nfs/dbraw/zinc/27/86/39/572278639.db2.gz SCLACTUWCMNBMI-VWLOTQADSA-N 0 0 585.465 4.896 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCCOc3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252674588 572278723 /nfs/dbraw/zinc/27/87/23/572278723.db2.gz SIOAMFHXLJRTLU-GDLZYMKVSA-N 0 0 554.668 4.565 50 0 KJAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCCOc3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000252674591 572278721 /nfs/dbraw/zinc/27/87/21/572278721.db2.gz SIOAMFHXLJRTLU-LJAQVGFWSA-N 0 0 554.668 4.565 50 0 KJAARN COc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 ZINC000252674744 572278690 /nfs/dbraw/zinc/27/86/90/572278690.db2.gz SLFCFBXWEOMFQZ-AREMUKBSSA-N 0 0 546.048 4.545 50 0 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ZINC000252677785 572281227 /nfs/dbraw/zinc/28/12/27/572281227.db2.gz ZUTMRTDQQQLRLR-OAQYLSRUSA-N 0 0 531.497 4.746 50 0 KJAARN O=c1c(=C/C(Br)=C\c2ccccc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000252677905 572281277 /nfs/dbraw/zinc/28/12/77/572281277.db2.gz AUZKMLZHOPKJQJ-IBUHZKGZSA-N 0 0 500.421 4.753 50 0 KJAARN O=c1c(=C/C(Br)=C/c2ccccc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000252677906 572281295 /nfs/dbraw/zinc/28/12/95/572281295.db2.gz AUZKMLZHOPKJQJ-IKIMZIFKSA-N 0 0 500.421 4.753 50 0 KJAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000252694289 572281613 /nfs/dbraw/zinc/28/16/13/572281613.db2.gz IFYVVGCPNFVOGV-QONNDPFASA-N 0 0 546.712 4.885 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C)c(C)s1 ZINC000253369748 572282060 /nfs/dbraw/zinc/28/20/60/572282060.db2.gz HTZCLRPIRUEEKE-YRTQXHIJSA-N 0 0 608.761 5.402 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C)c(C)s1 ZINC000253369749 572282066 /nfs/dbraw/zinc/28/20/66/572282066.db2.gz HTZCLRPIRUEEKE-YUNAKYFYSA-N 0 0 608.761 5.402 50 0 KJAARN CCOC(=O)c1sc(NC(=O)[C@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)[C@H](C)CC)nc1C ZINC000253371005 572282001 /nfs/dbraw/zinc/28/20/01/572282001.db2.gz ZJAVRNUVHJASAR-BZJPVZJDSA-N 0 0 666.797 5.270 50 0 KJAARN CCOC(=O)CCc1c(C)c2ccc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)cc2oc1=O ZINC000253387627 572282542 /nfs/dbraw/zinc/28/25/42/572282542.db2.gz IDHZFEAZBIZERE-WGSAOQKQSA-N 0 0 515.603 4.834 50 0 KJAARN COC(=O)Cc1c(C)c2ccc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)c(C)c2oc1=O ZINC000253387655 572282668 /nfs/dbraw/zinc/28/26/68/572282668.db2.gz PYMHKOFNVIPPQV-AQYVVDRMSA-N 0 0 535.593 4.764 50 0 KJAARN COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)cc2oc1=O ZINC000253387677 572282641 /nfs/dbraw/zinc/28/26/41/572282641.db2.gz SWGFDQAODUYNTN-WKILWMFISA-N 0 0 521.994 4.707 50 0 KJAARN C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000253388936 572283024 /nfs/dbraw/zinc/28/30/24/572283024.db2.gz VFZCGTMHQIXLSI-RTBURBONSA-N 0 0 541.048 4.634 50 0 KJAARN Cc1ccc(NC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000253389022 572283197 /nfs/dbraw/zinc/28/31/97/572283197.db2.gz ZXLCILVQXQKEKX-NFQMXDRXSA-N 0 0 506.647 4.908 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000253389036 572283232 /nfs/dbraw/zinc/28/32/32/572283232.db2.gz KEFMHRNNWIALOZ-XDHUDOTRSA-N 0 0 551.515 4.620 50 0 KJAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000253389384 572283344 /nfs/dbraw/zinc/28/33/44/572283344.db2.gz OYJZPCSNOUIHAG-FNZWTVRRSA-N 0 0 552.741 4.796 50 0 KJAARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253389514 572283404 /nfs/dbraw/zinc/28/34/04/572283404.db2.gz NVGWBTUCNHPKKW-QXTIUPHPSA-N 0 0 517.670 4.699 50 0 KJAARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)[C@H](C)C2)cc1 ZINC000253389581 572283410 /nfs/dbraw/zinc/28/34/10/572283410.db2.gz RPPVWSNNGOQVHB-BAECYATFSA-N 0 0 513.707 4.867 50 0 KJAARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)[C@@H](C)C2)cc1 ZINC000253389582 572283370 /nfs/dbraw/zinc/28/33/70/572283370.db2.gz RPPVWSNNGOQVHB-QBUINJGOSA-N 0 0 513.707 4.867 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCc3nc4ccccc4n3C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253394585 572283752 /nfs/dbraw/zinc/28/37/52/572283752.db2.gz AEJNSLZBSQSQOM-LVXARBLLSA-N 0 0 641.769 4.953 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3cccc(N4CCCCS4(=O)=O)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253395932 572283920 /nfs/dbraw/zinc/28/39/20/572283920.db2.gz ARCDBJQPPUALBZ-JDXGNMNLSA-N 0 0 724.902 4.965 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCc4ccccc4C3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253395943 572283867 /nfs/dbraw/zinc/28/38/67/572283867.db2.gz ARDZEHVDRZKLHZ-UCGGBYDDSA-N 0 0 599.728 4.884 50 0 KJAARN COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253396152 572284080 /nfs/dbraw/zinc/28/40/80/572284080.db2.gz AVDAMQNALPSANO-GZGVDWRWSA-N 0 0 691.730 4.945 50 0 KJAARN COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253396154 572284033 /nfs/dbraw/zinc/28/40/33/572284033.db2.gz AVDAMQNALPSANO-QCBOHVIISA-N 0 0 691.730 4.945 50 0 KJAARN COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253396156 572284109 /nfs/dbraw/zinc/28/41/09/572284109.db2.gz AVDAMQNALPSANO-WNSROMTISA-N 0 0 691.730 4.945 50 0 KJAARN COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253396159 572284038 /nfs/dbraw/zinc/28/40/38/572284038.db2.gz AVDAMQNALPSANO-XDCSYDRFSA-N 0 0 691.730 4.945 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253396359 572284182 /nfs/dbraw/zinc/28/41/82/572284182.db2.gz BAUXHSDUDBOVNX-AALZTNFKSA-N 0 0 653.842 4.550 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253396360 572284045 /nfs/dbraw/zinc/28/40/45/572284045.db2.gz BAUXHSDUDBOVNX-BQFYPUOCSA-N 0 0 653.842 4.550 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253396364 572284174 /nfs/dbraw/zinc/28/41/74/572284174.db2.gz BAUXHSDUDBOVNX-FGYCPTGFSA-N 0 0 653.842 4.550 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253396369 572284089 /nfs/dbraw/zinc/28/40/89/572284089.db2.gz BAUXHSDUDBOVNX-MUCPXUIXSA-N 0 0 653.842 4.550 50 0 KJAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000253397534 572284305 /nfs/dbraw/zinc/28/43/05/572284305.db2.gz BMHHMBUDIUKFCP-ASVWTAOFSA-N 0 0 716.857 4.778 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253397786 572284244 /nfs/dbraw/zinc/28/42/44/572284244.db2.gz BQLVYKBRVKKALB-OJMOVJAGSA-N 0 0 635.802 4.989 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253397797 572284270 /nfs/dbraw/zinc/28/42/70/572284270.db2.gz BQLVYKBRVKKALB-QLYBMBBNSA-N 0 0 635.802 4.989 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253397804 572284346 /nfs/dbraw/zinc/28/43/46/572284346.db2.gz BQLVYKBRVKKALB-XEJCOVBMSA-N 0 0 635.802 4.989 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253397811 572284233 /nfs/dbraw/zinc/28/42/33/572284233.db2.gz BQLVYKBRVKKALB-XPUOUFJMSA-N 0 0 635.802 4.989 50 0 KJAARN COC(=O)CC1(CNC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CCCCC1 ZINC000253397978 572284214 /nfs/dbraw/zinc/28/42/14/572284214.db2.gz BULBQSNTGHODJH-SANMLTNESA-N 0 0 637.774 4.685 50 0 KJAARN COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253399193 572284723 /nfs/dbraw/zinc/28/47/23/572284723.db2.gz CROZBFXIENOIOF-GZGVDWRWSA-N 0 0 691.730 4.945 50 0 KJAARN COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253399196 572284708 /nfs/dbraw/zinc/28/47/08/572284708.db2.gz CROZBFXIENOIOF-QCBOHVIISA-N 0 0 691.730 4.945 50 0 KJAARN COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253399206 572284704 /nfs/dbraw/zinc/28/47/04/572284704.db2.gz CROZBFXIENOIOF-WNSROMTISA-N 0 0 691.730 4.945 50 0 KJAARN COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253399209 572284592 /nfs/dbraw/zinc/28/45/92/572284592.db2.gz CROZBFXIENOIOF-XDCSYDRFSA-N 0 0 691.730 4.945 50 0 KJAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000253400220 572285038 /nfs/dbraw/zinc/28/50/38/572285038.db2.gz DSKOTFUVSDULCA-BKHJTQGXSA-N 0 0 659.780 4.590 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253402934 572285600 /nfs/dbraw/zinc/28/56/00/572285600.db2.gz GUJVRRHLDOROME-SANMLTNESA-N 0 0 631.726 4.880 50 0 KJAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000253403011 572285795 /nfs/dbraw/zinc/28/57/95/572285795.db2.gz GVXVKHFCRNLZEK-JDXGNMNLSA-N 0 0 659.780 4.736 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCCCC(=O)OC ZINC000253403228 572285713 /nfs/dbraw/zinc/28/57/13/572285713.db2.gz GZDJDTKSVYQOJF-SVTMICPESA-N 0 0 625.763 4.539 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1cccc(-c2nnn(C)n2)c1 ZINC000253403359 572285761 /nfs/dbraw/zinc/28/57/61/572285761.db2.gz HCNGTPHZYHGXQO-JSXXVDJESA-N 0 0 655.756 4.519 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(OC)nc1 ZINC000253403918 572285973 /nfs/dbraw/zinc/28/59/73/572285973.db2.gz HOIMJLSDEXEMFS-RWVMMXNJSA-N 0 0 604.704 4.732 50 0 KJAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000253406738 572286375 /nfs/dbraw/zinc/28/63/75/572286375.db2.gz JEGHBRCNRCSQNW-BVRIVJPRSA-N 0 0 684.790 4.681 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCOc1ccc(OC)cc1 ZINC000253406920 572286465 /nfs/dbraw/zinc/28/64/65/572286465.db2.gz JKJJLIKNMQBFFN-VGASRGCDSA-N 0 0 647.769 4.893 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253407099 572286672 /nfs/dbraw/zinc/28/66/72/572286672.db2.gz JNRKPWCOISCQCM-UCGGBYDDSA-N 0 0 640.741 4.578 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCO[C@H](c4ccccc4)C3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253407399 572286667 /nfs/dbraw/zinc/28/66/67/572286667.db2.gz JVSVIUWUVMAFQS-NKLKELLJSA-N 0 0 629.754 4.900 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCO[C@@H](c4ccccc4)C3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253407404 572286643 /nfs/dbraw/zinc/28/66/43/572286643.db2.gz JVSVIUWUVMAFQS-QOCRQHEPSA-N 0 0 629.754 4.900 50 0 KJAARN COC(=O)CC1(CNC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)CCCCC1 ZINC000253409177 572287191 /nfs/dbraw/zinc/28/71/91/572287191.db2.gz LNAOLWJJOKTTIW-IEWVHIKDSA-N 0 0 651.801 4.929 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc(O)cc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253409340 572287194 /nfs/dbraw/zinc/28/71/94/572287194.db2.gz LRGILLGHJCFTIM-OUTSHDOLSA-N 0 0 575.662 4.644 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3cccc(O)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253409823 572287241 /nfs/dbraw/zinc/28/72/41/572287241.db2.gz MMMHBVHNQSZSHB-AHWVRZQESA-N 0 0 607.729 4.741 50 0 KJAARN CCOC(=O)Cc1csc(NC(=O)[C@H](CCSC)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1 ZINC000253410064 572287371 /nfs/dbraw/zinc/28/73/71/572287371.db2.gz MUGQCKWFLIFHGZ-ZCYQVOJMSA-N 0 0 684.837 4.597 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc4c(s3)CCC4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253410209 572287356 /nfs/dbraw/zinc/28/73/56/572287356.db2.gz MYRUOMFIRDDWBP-URXFXBBRSA-N 0 0 638.812 4.981 50 0 KJAARN COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253410344 572287357 /nfs/dbraw/zinc/28/73/57/572287357.db2.gz NFNYIYXAFHVFCS-GZGVDWRWSA-N 0 0 721.756 4.954 50 0 KJAARN 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572287557 /nfs/dbraw/zinc/28/75/57/572287557.db2.gz OLHYAHZLKMXUAW-NYFMKLKXSA-N 0 0 661.704 4.937 50 0 KJAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253411294 572287482 /nfs/dbraw/zinc/28/74/82/572287482.db2.gz OLHYAHZLKMXUAW-OOOSNSGVSA-N 0 0 661.704 4.937 50 0 KJAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253411296 572287534 /nfs/dbraw/zinc/28/75/34/572287534.db2.gz OLHYAHZLKMXUAW-UBOZLPQGSA-N 0 0 661.704 4.937 50 0 KJAARN COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253411298 572287512 /nfs/dbraw/zinc/28/75/12/572287512.db2.gz OLHYAHZLKMXUAW-UTONBFNKSA-N 0 0 661.704 4.937 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cccc(C(=O)c4nccn4C)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253411337 572287478 /nfs/dbraw/zinc/28/74/78/572287478.db2.gz OMSLHGLQCJMOCD-MHZLTWQESA-N 0 0 653.736 4.658 50 0 KJAARN 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/nfs/dbraw/zinc/28/83/94/572288394.db2.gz TWZGYWVMXJXELQ-JCVFDAPQSA-N 0 0 705.757 4.732 50 0 KJAARN COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253413133 572288382 /nfs/dbraw/zinc/28/83/82/572288382.db2.gz TWZGYWVMXJXELQ-QYTMHSNXSA-N 0 0 705.757 4.732 50 0 KJAARN COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253413134 572288350 /nfs/dbraw/zinc/28/83/50/572288350.db2.gz TWZGYWVMXJXELQ-URNDWHGUSA-N 0 0 705.757 4.732 50 0 KJAARN COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1O ZINC000253413135 572288346 /nfs/dbraw/zinc/28/83/46/572288346.db2.gz TWZGYWVMXJXELQ-UXCMTWRGSA-N 0 0 705.757 4.732 50 0 KJAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000253413236 572288349 /nfs/dbraw/zinc/28/83/49/572288349.db2.gz UFCGWNLJWZEMJY-UKJJDJLKSA-N 0 0 646.741 4.905 50 0 KJAARN 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CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000253414274 572288912 /nfs/dbraw/zinc/28/89/12/572288912.db2.gz WYOAMRMYPCSTIP-NTUPCNSYSA-N 0 0 635.802 4.843 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000253414275 572288866 /nfs/dbraw/zinc/28/88/66/572288866.db2.gz WYOAMRMYPCSTIP-PBUWGQHQSA-N 0 0 635.802 4.843 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000253414276 572288854 /nfs/dbraw/zinc/28/88/54/572288854.db2.gz WYOAMRMYPCSTIP-ZKZZIZGSSA-N 0 0 635.802 4.843 50 0 KJAARN CCOC(=O)Cc1csc(NC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)[C@H](C)CC)n1 ZINC000253414359 572288873 /nfs/dbraw/zinc/28/88/73/572288873.db2.gz XFXPCGRCCFALBW-RWVMMXNJSA-N 0 0 666.797 4.890 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3cccc(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414596 572289072 /nfs/dbraw/zinc/28/90/72/572289072.db2.gz XXRYVLZDQMCCNS-ZCYQVOJMSA-N 0 0 606.745 4.739 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3n[nH]c(CCc4ccccc4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414685 572288940 /nfs/dbraw/zinc/28/89/40/572288940.db2.gz YFOODXPNHMNCNE-SANMLTNESA-N 0 0 640.741 4.597 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc(O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414707 572288962 /nfs/dbraw/zinc/28/89/62/572288962.db2.gz YHMSDSUTAZNQJP-AHWVRZQESA-N 0 0 607.729 4.741 50 0 KJAARN COC(=O)CCCCCNC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000253414728 572289078 /nfs/dbraw/zinc/28/90/78/572289078.db2.gz YJQSXQKNCIADHA-BDYUSTAISA-N 0 0 625.763 4.539 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc(-c4nc[nH]n4)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253414814 572289061 /nfs/dbraw/zinc/28/90/61/572289061.db2.gz YRXNFLATSJEUJY-BDYUSTAISA-N 0 0 658.781 4.820 50 0 KJAARN COC(=O)CCCCCNC(=O)CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000253415060 572289173 /nfs/dbraw/zinc/28/91/73/572289173.db2.gz ZMFZTWUXNLWAFR-SANMLTNESA-N 0 0 625.763 4.685 50 0 KJAARN COC(=O)[C@@H](NC(=O)CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)c1ccccc1 ZINC000253415193 572289227 /nfs/dbraw/zinc/28/92/27/572289227.db2.gz ZYEWCCLDPCYVGK-CMVGPNDKSA-N 0 0 645.753 4.866 50 0 KJAARN CCN(CC)c1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@@](C)(O)CC(=O)[C@H]2C(=O)Nc2ccccc2OC)cc1 ZINC000253471530 572289813 /nfs/dbraw/zinc/28/98/13/572289813.db2.gz UVLKSPYRDIANSH-BZBLMLCTSA-N 0 0 573.690 4.867 50 0 KJAARN CCN(CC)c1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)C(=O)C[C@@](C)(O)[C@H]2C(=O)Nc2ccccc2OC)cc1 ZINC000253471534 572289793 /nfs/dbraw/zinc/28/97/93/572289793.db2.gz UVLKSPYRDIANSH-GZJKXRRHSA-N 0 0 573.690 4.867 50 0 KJAARN CCN(CC)c1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@](C)(O)CC(=O)[C@H]2C(=O)Nc2ccccc2OC)cc1 ZINC000253471536 572289780 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COc1ccc([C@@H](NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 ZINC000263585167 572117029 /nfs/dbraw/zinc/11/70/29/572117029.db2.gz FVZBNAPXQWRLLF-IEWVHIKDSA-N 0 0 603.716 4.797 50 0 KJAARN COc1ccc([C@H](NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1 ZINC000263585168 572116928 /nfs/dbraw/zinc/11/69/28/572116928.db2.gz FVZBNAPXQWRLLF-XYFQYJLHSA-N 0 0 603.716 4.797 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccccc1-c1nnn(C)n1 ZINC000263585207 572117491 /nfs/dbraw/zinc/11/74/91/572117491.db2.gz GHTCZRUACBDOGN-JSXXVDJESA-N 0 0 655.756 4.519 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000263585222 572117507 /nfs/dbraw/zinc/11/75/07/572117507.db2.gz GLYSZGOHXHBWEX-REZAABISSA-N 0 0 741.307 4.876 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000263585231 572117628 /nfs/dbraw/zinc/11/76/28/572117628.db2.gz GNXCUJWFPCLRPP-JTXUTKQDSA-N 0 0 671.755 4.517 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc4[nH]c(CO)nc4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585304 572117570 /nfs/dbraw/zinc/11/75/70/572117570.db2.gz HDMRMQAQSZTYMH-CUBQBAPOSA-N 0 0 643.741 4.697 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(CCc2nn[nH]n2)cc1 ZINC000263585327 572118223 /nfs/dbraw/zinc/11/82/23/572118223.db2.gz HLVXUVCGLNSHHN-WWDMOCDSSA-N 0 0 669.783 4.627 50 0 KJAARN COc1ccc([C@@H](NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1OC ZINC000263585342 572118071 /nfs/dbraw/zinc/11/80/71/572118071.db2.gz HPVDLFKDXPWNGP-JQJBXXCASA-N 0 0 633.742 4.806 50 0 KJAARN COc1ccc([C@H](NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)cc1OC ZINC000263585343 572118051 /nfs/dbraw/zinc/11/80/51/572118051.db2.gz HPVDLFKDXPWNGP-OGVWKLGRSA-N 0 0 633.742 4.806 50 0 KJAARN COCc1nc(-c2cccc(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c2)n[nH]1 ZINC000263585427 572118130 /nfs/dbraw/zinc/11/81/30/572118130.db2.gz IKYAQZWDAFKFEZ-XCZPVHLTSA-N 0 0 702.834 4.967 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCC[C@H]3c3nc4ccccc4n3C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585462 572118579 /nfs/dbraw/zinc/11/85/79/572118579.db2.gz IZLOMUVKSBLTHZ-POWSXZFQSA-N 0 0 639.753 4.914 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3cccnc3OC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585479 572118659 /nfs/dbraw/zinc/11/86/59/572118659.db2.gz JCLSEIOPVSKUIP-DEOSSOPVSA-N 0 0 604.704 4.878 50 0 KJAARN COC(=O)C[C@H](c1ccc(OC)c2ccccc21)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585496 572118817 /nfs/dbraw/zinc/11/88/17/572118817.db2.gz JHTWKOASSUGNIQ-RUZDIDTESA-N 0 0 559.615 4.778 50 0 KJAARN COC(=O)C[C@@H](c1ccc(OC)c2ccccc21)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585497 572118839 /nfs/dbraw/zinc/11/88/39/572118839.db2.gz JHTWKOASSUGNIQ-VWLOTQADSA-N 0 0 559.615 4.778 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4[nH]cnc4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585539 572118731 /nfs/dbraw/zinc/11/87/31/572118731.db2.gz JVKROAWDXKQJKW-QHCPKHFHSA-N 0 0 585.661 4.570 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCC[C@H]3c3nc4ccccc4n3C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585618 572119132 /nfs/dbraw/zinc/11/91/32/572119132.db2.gz KSTILIBQPCNEMJ-CUBQBAPOSA-N 0 0 625.726 4.525 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3cccnc3OC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585659 572119852 /nfs/dbraw/zinc/11/98/52/572119852.db2.gz LDAQRZBSYNZTGF-OZXSUGGESA-N 0 0 604.704 4.732 50 0 KJAARN COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585693 572119836 /nfs/dbraw/zinc/11/98/36/572119836.db2.gz LLLOKNQFZHUCEX-DEOSSOPVSA-N 0 0 521.610 4.739 50 0 KJAARN COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585694 572119728 /nfs/dbraw/zinc/11/97/28/572119728.db2.gz LLLOKNQFZHUCEX-XMMPIXPASA-N 0 0 521.610 4.739 50 0 KJAARN COc1ccc2cc([C@@H]3c4cn(C(C)C)c5cccc(c45)NC4=C3C(=O)N(C(C)=O)C4)c(N3CCOCC3)nc2c1 ZINC000263585701 572119697 /nfs/dbraw/zinc/11/96/97/572119697.db2.gz LMZRCBOOEWHSGJ-MUUNZHRXSA-N 0 0 551.647 4.816 50 0 KJAARN COc1ccc2cc([C@H]3c4cn(C(C)C)c5cccc(c45)NC4=C3C(=O)N(C(C)=O)C4)c(N3CCOCC3)nc2c1 ZINC000263585702 572119655 /nfs/dbraw/zinc/11/96/55/572119655.db2.gz LMZRCBOOEWHSGJ-NDEPHWFRSA-N 0 0 551.647 4.816 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3nnc(CCc4ccccc4)[nH]3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585719 572119670 /nfs/dbraw/zinc/11/96/70/572119670.db2.gz LOVOCVGYZTZDMK-IEWVHIKDSA-N 0 0 654.768 4.842 50 0 KJAARN COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)c2=O)cc1OC ZINC000263585752 572119683 /nfs/dbraw/zinc/11/96/83/572119683.db2.gz MBOPIPXRPRPNPE-INIZCTEOSA-N 0 0 511.486 4.878 50 0 KJAARN COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)c2=O)cc1OC ZINC000263585753 572119749 /nfs/dbraw/zinc/11/97/49/572119749.db2.gz MBOPIPXRPRPNPE-MRXNPFEDSA-N 0 0 511.486 4.878 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1nc(-c2ccco2)no1 ZINC000263585812 572120620 /nfs/dbraw/zinc/12/06/20/572120620.db2.gz MWTHLTVJMZECLE-WEMPGLRGSA-N 0 0 645.713 4.649 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000263585838 572120648 /nfs/dbraw/zinc/12/06/48/572120648.db2.gz NDDIECMNVNWXSH-FEIPVBSWSA-N 0 0 724.859 4.683 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3c4c(nn3C)CSC4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585861 572120343 /nfs/dbraw/zinc/12/03/43/572120343.db2.gz NIGWSZMARJJSRW-UPVQGACJSA-N 0 0 653.827 4.516 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000263585862 572120564 /nfs/dbraw/zinc/12/05/64/572120564.db2.gz NIKKHWLRKHCEOZ-ONOGJJLKSA-N 0 0 657.724 4.683 50 0 KJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)CC3 ZINC000263585934 572121214 /nfs/dbraw/zinc/12/12/14/572121214.db2.gz NYXDPTHYBLUPOT-PPHZAIPVSA-N 0 0 640.737 4.738 50 0 KJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000263586060 572121507 /nfs/dbraw/zinc/12/15/07/572121507.db2.gz PLDFFTYTELYRCX-LITSAYRRSA-N 0 0 640.737 4.959 50 0 KJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000263586061 572121553 /nfs/dbraw/zinc/12/15/53/572121553.db2.gz PLDFFTYTELYRCX-WNJJXGMVSA-N 0 0 640.737 4.959 50 0 KJAARN COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586063 572121431 /nfs/dbraw/zinc/12/14/31/572121431.db2.gz PLSFLPXBIJOHMP-HSZRJFAPSA-N 0 0 545.588 4.876 50 0 KJAARN COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586064 572121618 /nfs/dbraw/zinc/12/16/18/572121618.db2.gz PLSFLPXBIJOHMP-QHCPKHFHSA-N 0 0 545.588 4.876 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2[nH]c(CO)nc2c1 ZINC000263586077 572121587 /nfs/dbraw/zinc/12/15/87/572121587.db2.gz PSJUQPKUZULEHL-SFNSCEKISA-N 0 0 643.741 4.697 50 0 KJAARN COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586089 572121649 /nfs/dbraw/zinc/12/16/49/572121649.db2.gz PXBCAQBQZMLCCS-DEOSSOPVSA-N 0 0 603.624 4.663 50 0 KJAARN COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586090 572121568 /nfs/dbraw/zinc/12/15/68/572121568.db2.gz PXBCAQBQZMLCCS-XMMPIXPASA-N 0 0 603.624 4.663 50 0 KJAARN O=C(Nc1ccc(Cc2ccc(NC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc2)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586102 572122121 /nfs/dbraw/zinc/12/21/21/572122121.db2.gz QCLBQLGFAMGFRW-QUAHOIDUSA-N 0 0 630.749 4.903 50 0 KJAARN COc1cc(OC)c([C@@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1OC ZINC000263586135 572122035 /nfs/dbraw/zinc/12/20/35/572122035.db2.gz QNQPVBUVPWTCDZ-AREMUKBSSA-N 0 0 503.599 4.913 50 0 KJAARN COc1cc(OC)c([C@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1OC ZINC000263586136 572122136 /nfs/dbraw/zinc/12/21/36/572122136.db2.gz QNQPVBUVPWTCDZ-SANMLTNESA-N 0 0 503.599 4.913 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000263586146 572122173 /nfs/dbraw/zinc/12/21/73/572122173.db2.gz QPPKSRCYZREDDU-CKTVZQCPSA-N 0 0 655.756 4.612 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@H](c3nccn3C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586188 572122164 /nfs/dbraw/zinc/12/21/64/572122164.db2.gz RBKAKTGJTGYNRC-CMVGPNDKSA-N 0 0 639.753 4.694 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H](c3nccn3C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586189 572122140 /nfs/dbraw/zinc/12/21/40/572122140.db2.gz RBKAKTGJTGYNRC-VCTRWQRLSA-N 0 0 639.753 4.694 50 0 KJAARN COc1ccc(NC(=O)[C@H](CCSC)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1N1CCCCS1(=O)=O ZINC000263586237 572122558 /nfs/dbraw/zinc/12/25/58/572122558.db2.gz RPJRIDMNVSPXCW-YTMVLYRLSA-N 0 0 754.928 4.974 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@H](c3nccn3C)c3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586268 572122451 /nfs/dbraw/zinc/12/24/51/572122451.db2.gz RXCNEKJSNDXPOJ-GIBUXBDZSA-N 0 0 653.780 4.939 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@@H](c3nccn3C)c3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586269 572122482 /nfs/dbraw/zinc/12/24/82/572122482.db2.gz RXCNEKJSNDXPOJ-ZIINUWHCSA-N 0 0 653.780 4.939 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586271 572122416 /nfs/dbraw/zinc/12/24/16/572122416.db2.gz RXOOFAKPNMCCSD-CDZUIXILSA-N 0 0 724.859 4.683 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1cc(C(=O)NC)ccc1OC ZINC000263586277 572122508 /nfs/dbraw/zinc/12/25/08/572122508.db2.gz SBTSFMLINMGVOJ-RNUBLEDQSA-N 0 0 660.768 4.697 50 0 KJAARN COc1ccc(-c2coc3c(ccc4c3[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)O4)c2=O)cc1OC ZINC000263586278 572122614 /nfs/dbraw/zinc/12/26/14/572122614.db2.gz SBVJDSPMPWDOIP-GOSISDBHSA-N 0 0 518.518 4.944 50 0 KJAARN COc1ccc(-c2coc3c(ccc4c3[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)O4)c2=O)cc1OC ZINC000263586279 572122458 /nfs/dbraw/zinc/12/24/58/572122458.db2.gz SBVJDSPMPWDOIP-SFHVURJKSA-N 0 0 518.518 4.944 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000263586286 572122608 /nfs/dbraw/zinc/12/26/08/572122608.db2.gz SEBVMKCQDYINPM-VGASRGCDSA-N 0 0 692.835 4.868 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586306 572122660 /nfs/dbraw/zinc/12/26/60/572122660.db2.gz SMDAEYBPONUHDO-HOFKKMOUSA-N 0 0 645.782 4.762 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3ccc4[nH]ccc4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586332 572122975 /nfs/dbraw/zinc/12/29/75/572122975.db2.gz SRUAHQCIBDWUBM-GKVSMKOHSA-N 0 0 570.646 4.783 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000263586402 572122882 /nfs/dbraw/zinc/12/28/82/572122882.db2.gz UCOPJARRKFYEKZ-BJZARVNJSA-N 0 0 645.753 4.646 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000263586403 572122981 /nfs/dbraw/zinc/12/29/81/572122981.db2.gz UCOPJARRKFYEKZ-MOMCRDRDSA-N 0 0 645.753 4.646 50 0 KJAARN COc1ccc([C@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)c(OC)c1OC ZINC000263586450 572123701 /nfs/dbraw/zinc/12/37/01/572123701.db2.gz UOZCGVXZUIFHRG-DEOSSOPVSA-N 0 0 503.599 4.913 50 0 KJAARN COc1ccc([C@@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)c(OC)c1OC ZINC000263586451 572123705 /nfs/dbraw/zinc/12/37/05/572123705.db2.gz UOZCGVXZUIFHRG-XMMPIXPASA-N 0 0 503.599 4.913 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4[nH]cnc4c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586494 572123494 /nfs/dbraw/zinc/12/34/94/572123494.db2.gz VABWBDJRFCXSQJ-JHOBJCJYSA-N 0 0 599.688 4.815 50 0 KJAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000263586531 572123522 /nfs/dbraw/zinc/12/35/22/572123522.db2.gz VIIPFGHGPAOFIA-SMCANUKXSA-N 0 0 670.807 4.535 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc4[nH]cnc4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586566 572123698 /nfs/dbraw/zinc/12/36/98/572123698.db2.gz VVLGRXQGVUVLMV-OZXSUGGESA-N 0 0 631.755 4.912 50 0 KJAARN 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COCc1nc(-c2cccc(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c2)n[nH]1 ZINC000409413282 1066208001 /nfs/dbraw/zinc/20/80/01/1066208001.db2.gz IKYAQZWDAFKFEZ-XTEPFMGCSA-N 0 0 702.834 4.967 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3nc4ccccc4s3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413319 1066207806 /nfs/dbraw/zinc/20/78/06/1066207806.db2.gz KQLCPKHRIOUJBL-HRAATJIYSA-N 0 0 588.686 4.912 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3nc4ccccc4s3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413321 1066207822 /nfs/dbraw/zinc/20/78/22/1066207822.db2.gz KQLCPKHRIOUJBL-IERDGZPVSA-N 0 0 588.686 4.912 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3nc4ccccc4s3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413322 1066207870 /nfs/dbraw/zinc/20/78/70/1066207870.db2.gz KQLCPKHRIOUJBL-IIBYNOLFSA-N 0 0 588.686 4.912 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3nnc(CCc4ccccc4)[nH]3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413417 1066207974 /nfs/dbraw/zinc/20/79/74/1066207974.db2.gz LOVOCVGYZTZDMK-DICHSLLOSA-N 0 0 654.768 4.842 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3nnc(CCc4ccccc4)[nH]3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413423 1066369882 /nfs/dbraw/zinc/36/98/82/1066369882.db2.gz LOVOCVGYZTZDMK-HVIPQOSHSA-N 0 0 654.768 4.842 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3nnc(CCc4ccccc4)[nH]3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413425 1066208715 /nfs/dbraw/zinc/20/87/15/1066208715.db2.gz LOVOCVGYZTZDMK-XYFQYJLHSA-N 0 0 654.768 4.842 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000409413507 1066208802 /nfs/dbraw/zinc/20/88/02/1066208802.db2.gz NDDIECMNVNWXSH-IMCYIHTOSA-N 0 0 724.859 4.683 50 0 KJAARN CC[C@@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000409413513 1066208832 /nfs/dbraw/zinc/20/88/32/1066208832.db2.gz NDDIECMNVNWXSH-KUFYXNFBSA-N 0 0 724.859 4.683 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000409413514 1066208792 /nfs/dbraw/zinc/20/87/92/1066208792.db2.gz NDDIECMNVNWXSH-NESNIVEGSA-N 0 0 724.859 4.683 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3cccc(-c4nc[nH]n4)c3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413602 1066370531 /nfs/dbraw/zinc/37/05/31/1066370531.db2.gz OIROCBJUEZTXCR-FYBSXPHGSA-N 0 0 626.714 4.723 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3cccc(-c4nc[nH]n4)c3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413608 1066370501 /nfs/dbraw/zinc/37/05/01/1066370501.db2.gz OIROCBJUEZTXCR-RNAHPLFWSA-N 0 0 626.714 4.723 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3cccc(-c4nc[nH]n4)c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413609 1066208807 /nfs/dbraw/zinc/20/88/07/1066208807.db2.gz OIROCBJUEZTXCR-SETSBSEESA-N 0 0 626.714 4.723 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3nnc(CCC4CCCC4)[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413627 1066208486 /nfs/dbraw/zinc/20/84/86/1066208486.db2.gz OQBKMNDTYUDCES-RUZDIDTESA-N 0 0 632.762 4.935 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3ccc4[nH]c(CO)nc4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413948 1066208555 /nfs/dbraw/zinc/20/85/55/1066208555.db2.gz HDMRMQAQSZTYMH-RBJSKKJNSA-N 0 0 643.741 4.697 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3ccc4[nH]c(CO)nc4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413951 1066208584 /nfs/dbraw/zinc/20/85/84/1066208584.db2.gz HDMRMQAQSZTYMH-UFHPHHKVSA-N 0 0 643.741 4.697 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc4[nH]c(CO)nc4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413954 1066208697 /nfs/dbraw/zinc/20/86/97/1066208697.db2.gz HDMRMQAQSZTYMH-YWEHKCAJSA-N 0 0 643.741 4.697 50 0 KJAARN COCc1nc(-c2cccc(NC(=O)[C@@H](Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)C(C)C)c2)n[nH]1 ZINC000409413956 1066208625 /nfs/dbraw/zinc/20/86/25/1066208625.db2.gz XIBMVLCKFGWSTI-DICHSLLOSA-N 0 0 670.767 4.870 50 0 KJAARN COCc1nc(-c2cccc(NC(=O)[C@H](Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)C(C)C)c2)n[nH]1 ZINC000409413958 1066370488 /nfs/dbraw/zinc/37/04/88/1066370488.db2.gz XIBMVLCKFGWSTI-HVIPQOSHSA-N 0 0 670.767 4.870 50 0 KJAARN COCc1nc(-c2cccc(NC(=O)[C@H](Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)C(C)C)c2)n[nH]1 ZINC000409413961 1066219285 /nfs/dbraw/zinc/21/92/85/1066219285.db2.gz XIBMVLCKFGWSTI-XYFQYJLHSA-N 0 0 670.767 4.870 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3n[nH]c(CCc4ccccc4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413992 1066208764 /nfs/dbraw/zinc/20/87/64/1066208764.db2.gz YFOODXPNHMNCNE-AREMUKBSSA-N 0 0 640.741 4.597 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2[nH]c(CO)nc2c1 ZINC000409414849 1066208681 /nfs/dbraw/zinc/20/86/81/1066208681.db2.gz PSJUQPKUZULEHL-IARHMKAOSA-N 0 0 643.741 4.697 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2[nH]c(CO)nc2c1 ZINC000409414850 1066370639 /nfs/dbraw/zinc/37/06/39/1066370639.db2.gz PSJUQPKUZULEHL-IWCDYYAOSA-N 0 0 643.741 4.697 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2[nH]c(CO)nc2c1 ZINC000409414851 1066208529 /nfs/dbraw/zinc/20/85/29/1066208529.db2.gz PSJUQPKUZULEHL-OYRREBHHSA-N 0 0 643.741 4.697 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2[nH]c(CO)nc2c1 ZINC000409414852 1066208662 /nfs/dbraw/zinc/20/86/62/1066208662.db2.gz PSJUQPKUZULEHL-VLRHJXICSA-N 0 0 643.741 4.697 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409415046 1066370461 /nfs/dbraw/zinc/37/04/61/1066370461.db2.gz RXOOFAKPNMCCSD-XDFJSJKPSA-N 0 0 724.859 4.683 50 0 KJAARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(OC)c(OC)c6)coc5c43)c(=O)n(C)c2c1 ZINC000409415359 1066208844 /nfs/dbraw/zinc/20/88/44/1066208844.db2.gz CJIFTLVGXQIRLM-FQEVSTJZSA-N 0 0 539.540 4.779 50 0 KJAARN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(OC)c(OC)c6)coc5c43)c(=O)n(C)c2c1 ZINC000409415360 1066370560 /nfs/dbraw/zinc/37/05/60/1066370560.db2.gz CJIFTLVGXQIRLM-HXUWFJFHSA-N 0 0 539.540 4.779 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000524729014 1066211967 /nfs/dbraw/zinc/21/19/67/1066211967.db2.gz YTDDVWXBEALMNF-FPVOPXTESA-N 0 0 635.802 4.843 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000524729015 1066211669 /nfs/dbraw/zinc/21/16/69/1066211669.db2.gz YTDDVWXBEALMNF-RXWXPJNUSA-N 0 0 635.802 4.843 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000524729016 1066211905 /nfs/dbraw/zinc/21/19/05/1066211905.db2.gz YTDDVWXBEALMNF-ZSZSCTNVSA-N 0 0 635.802 4.843 50 0 KJAARN COc1ccc2cc([C@@H]3c4cn(CCC(C)C)c5cccc(c45)NC4=C3C(=O)N(C(C)=O)C4)c(=O)n(C)c2c1 ZINC000524729038 1066211955 /nfs/dbraw/zinc/21/19/55/1066211955.db2.gz AHHLZGCILJSPBN-HHHXNRCGSA-N 0 0 524.621 4.748 50 0 KJAARN COc1ccc2cc([C@H]3c4cn(CCC(C)C)c5cccc(c45)NC4=C3C(=O)N(C(C)=O)C4)c(=O)n(C)c2c1 ZINC000524729039 1066211827 /nfs/dbraw/zinc/21/18/27/1066211827.db2.gz AHHLZGCILJSPBN-MHZLTWQESA-N 0 0 524.621 4.748 50 0 KJAARN COc1cc([C@@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc(OC)c1OC ZINC000524729447 1066212597 /nfs/dbraw/zinc/21/25/97/1066212597.db2.gz UMIDTKBQOASOFM-RUZDIDTESA-N 0 0 503.599 4.913 50 0 KJAARN COc1cc([C@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc(OC)c1OC ZINC000524729448 1066212561 /nfs/dbraw/zinc/21/25/61/1066212561.db2.gz UMIDTKBQOASOFM-VWLOTQADSA-N 0 0 503.599 4.913 50 0 KJAARN COc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OCc1ccc(C(C)C)cc1 ZINC000524729546 1066213160 /nfs/dbraw/zinc/21/31/60/1066213160.db2.gz YBFZQANFEJAKRF-PZFKOMAXSA-N 0 0 639.749 4.845 50 0 KJAARN COc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OCc1ccc(C(C)C)cc1 ZINC000524729547 1066213285 /nfs/dbraw/zinc/21/32/85/1066213285.db2.gz YBFZQANFEJAKRF-QXGAZULMSA-N 0 0 639.749 4.845 50 0 KJAARN COc1cc([C@@H](CC(=O)NCC[C@H](c2ccco2)c2ccccc2OC)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729622 1066211893 /nfs/dbraw/zinc/21/18/93/1066211893.db2.gz AOUATOWYGWVJDS-FCHUYYIVSA-N 0 0 533.577 4.830 50 0 KJAARN COc1cc([C@@H](CC(=O)NCC[C@@H](c2ccco2)c2ccccc2OC)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729623 1066212014 /nfs/dbraw/zinc/21/20/14/1066212014.db2.gz AOUATOWYGWVJDS-FGZHOGPDSA-N 0 0 533.577 4.830 50 0 KJAARN COc1cc([C@H](CC(=O)NCC[C@H](c2ccco2)c2ccccc2OC)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729624 1066211990 /nfs/dbraw/zinc/21/19/90/1066211990.db2.gz AOUATOWYGWVJDS-VXKWHMMOSA-N 0 0 533.577 4.830 50 0 KJAARN COc1cc([C@H](CC(=O)NCC[C@@H](c2ccco2)c2ccccc2OC)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729625 1066211930 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/nfs/dbraw/zinc/50/51/66/1066505166.db2.gz AIVYYDJYKJCMET-UHFFFAOYSA-N 0 0 508.630 4.668 50 0 KJAARN Cn1nc(-c2nncn2CC2CC2)c2c1CCN(C(=O)c1cc(-c3ccc(F)cc3)nc3ccccc31)C2 ZINC000581790739 1066505183 /nfs/dbraw/zinc/50/51/83/1066505183.db2.gz CWSDTNHEJAGELC-UHFFFAOYSA-N 0 0 507.573 4.641 50 0 KJAARN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3c3noc(COc4ccc(C)cc4)n3)[nH]n2)c1C ZINC000581796024 1066505280 /nfs/dbraw/zinc/50/52/80/1066505280.db2.gz MADCBDDJSRCPNJ-HSZRJFAPSA-N 0 0 503.607 4.938 50 0 KJAARN CCCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3c3noc(COc4ccc(C)cc4)n3)[nH]n2)c1C ZINC000581796028 1066505574 /nfs/dbraw/zinc/50/55/74/1066505574.db2.gz MADCBDDJSRCPNJ-QHCPKHFHSA-N 0 0 503.607 4.938 50 0 KJAARN COc1ccc(C[C@H]2CCOC3(CCN(C(=O)CCc4nc(-c5ccccc5OC)no4)CC3)C2)cc1 ZINC000581817997 1066505711 /nfs/dbraw/zinc/50/57/11/1066505711.db2.gz ALICLBPWJFUJTL-JOCHJYFZSA-N 0 0 505.615 4.717 50 0 KJAARN COc1ccc(C[C@@H]2CCOC3(CCN(C(=O)CCc4nc(-c5ccccc5OC)no4)CC3)C2)cc1 ZINC000581817998 1066505620 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CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1nc(Cc2ccccc2)no1 ZINC000604404695 1066499502 /nfs/dbraw/zinc/49/95/02/1066499502.db2.gz QVTLTFNMPBSGRU-CLXCDQNCSA-N 0 0 669.779 4.980 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCc1nc(C(C)C)no1 ZINC000604404723 1066499545 /nfs/dbraw/zinc/49/95/45/1066499545.db2.gz RGEKKADMKVMONW-IBZKQJHLSA-N 0 0 649.789 4.945 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3n[nH]c(-c4ccccc4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604404752 1066499452 /nfs/dbraw/zinc/49/94/52/1066499452.db2.gz RMAIJCMFSZWQHR-AHWVRZQESA-N 0 0 658.781 4.820 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(-c2nnn(C)n2)cc1 ZINC000604404769 1066499415 /nfs/dbraw/zinc/49/94/15/1066499415.db2.gz KJVGHWFOWURGGX-JSXXVDJESA-N 0 0 655.756 4.519 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc(N4CCCCS4(=O)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 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COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCn3ccc4ccccc43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604404838 1066499555 /nfs/dbraw/zinc/49/95/55/1066499555.db2.gz GZXYZHYTCBRKRO-MHZLTWQESA-N 0 0 612.727 4.826 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000604404845 1066499561 /nfs/dbraw/zinc/49/95/61/1066499561.db2.gz SXQSVZCCWNVTPU-SFNSCEKISA-N 0 0 644.725 4.659 50 0 KJAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(OC)c(C(=O)N2CCOCC2)c1 ZINC000604405088 1066500086 /nfs/dbraw/zinc/50/00/86/1066500086.db2.gz PVRYGSNOKQXYDP-FMPQITIBSA-N 0 0 716.832 4.809 50 0 KJAARN COc1ccc(-c2nc(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n[nH]2)cc1 ZINC000604405154 1066500013 /nfs/dbraw/zinc/50/00/13/1066500013.db2.gz XLYKEXMJOGDHRK-BDYUSTAISA-N 0 0 688.807 4.829 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3n[nH]c(COc4ccccc4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 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KJAARN COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)N[C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000824896262 1066504203 /nfs/dbraw/zinc/50/42/03/1066504203.db2.gz NWHPVMGIEYHOOB-FQEVSTJZSA-N 0 0 518.595 4.566 50 0 KJAARN COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)N[C@H](CCSC)c2nnc3ccccn32)cc1 ZINC000824896263 1066504407 /nfs/dbraw/zinc/50/44/07/1066504407.db2.gz NWHPVMGIEYHOOB-HXUWFJFHSA-N 0 0 518.595 4.566 50 0 KJAARN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=Cc3c(c(C)nn3-c3ccc(OC(F)(F)F)cc3)C1=O)O2 ZINC000825292169 1066504101 /nfs/dbraw/zinc/50/41/01/1066504101.db2.gz VYPCVCOUMPHJRE-DEOSSOPVSA-N 0 0 500.429 4.889 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCc3cn(C)c4ccccc34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088266 1066395573 /nfs/dbraw/zinc/39/55/73/1066395573.db2.gz BZYWXEFAHKUVPF-NDEPHWFRSA-N 0 0 626.754 4.906 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@H](C)Cc3ccco3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088271 1066395611 /nfs/dbraw/zinc/39/56/11/1066395611.db2.gz DDZSUXZBGUPTGU-PFTPNIEWSA-N 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1066395452 /nfs/dbraw/zinc/39/54/52/1066395452.db2.gz SUVMCAVVXDJNJS-VWLOTQADSA-N 0 0 577.653 4.511 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCc3ccc(F)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088395 1066395638 /nfs/dbraw/zinc/39/56/38/1066395638.db2.gz VUBJJFAPMPDZDJ-SANMLTNESA-N 0 0 591.680 4.553 50 0 KJAARN CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCC(C)C ZINC000888088502 1066395374 /nfs/dbraw/zinc/39/53/74/1066395374.db2.gz CRNMXYWRBGWZGC-AHWVRZQESA-N 0 0 567.727 4.996 50 0 KJAARN CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCC(C)C ZINC000888088503 1066395527 /nfs/dbraw/zinc/39/55/27/1066395527.db2.gz CRNMXYWRBGWZGC-AZGAKELHSA-N 0 0 567.727 4.996 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1cccc(Br)c1 ZINC000888088546 1066395545 /nfs/dbraw/zinc/39/55/45/1066395545.db2.gz FPGHPXCKKPQREF-DPEGQYJJSA-N 0 0 642.890 4.601 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1cccc(Br)c1 ZINC000888088547 1066395409 /nfs/dbraw/zinc/39/54/09/1066395409.db2.gz FPGHPXCKKPQREF-IPAQCRBRSA-N 0 0 642.890 4.601 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cccc(Br)c1 ZINC000888088548 1066395877 /nfs/dbraw/zinc/39/58/77/1066395877.db2.gz FPGHPXCKKPQREF-IZQAKPIMSA-N 0 0 642.890 4.601 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cccc(Br)c1 ZINC000888088549 1066396053 /nfs/dbraw/zinc/39/60/53/1066396053.db2.gz FPGHPXCKKPQREF-YXUSKKHYSA-N 0 0 642.890 4.601 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(SC)cc1 ZINC000888088555 1066395584 /nfs/dbraw/zinc/39/55/84/1066395584.db2.gz FWFWAJBPPRBUML-UDQJOSRYSA-N 0 0 610.088 4.561 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(SC)cc1 ZINC000888088556 1066395655 /nfs/dbraw/zinc/39/56/55/1066395655.db2.gz FWFWAJBPPRBUML-VBBXZNBUSA-N 0 0 610.088 4.561 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(SC)cc1 ZINC000888088557 1066395981 /nfs/dbraw/zinc/39/59/81/1066395981.db2.gz FWFWAJBPPRBUML-ZEUYJUNXSA-N 0 0 610.088 4.561 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(SC)cc1 ZINC000888088558 1066395817 /nfs/dbraw/zinc/39/58/17/1066395817.db2.gz FWFWAJBPPRBUML-ZQQKKWTNSA-N 0 0 610.088 4.561 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCc3ccc(F)cc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088624 1066396085 /nfs/dbraw/zinc/39/60/85/1066396085.db2.gz IQMUBJPPVQKSDU-HVNZXBJASA-N 0 0 605.707 4.798 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC[C@H](CC(=O)NCC3CC3)CC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088640 1066396070 /nfs/dbraw/zinc/39/60/70/1066396070.db2.gz JYGWOOBECLIQPH-NVQXNPDNSA-N 0 0 579.738 4.854 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCc3cccc(F)c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088647 1066396014 /nfs/dbraw/zinc/39/60/14/1066396014.db2.gz KDSVLYSNTOXGKR-QCDSWUKFSA-N 0 0 591.680 4.755 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3cccn3C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088668 1066395966 /nfs/dbraw/zinc/39/59/66/1066395966.db2.gz KTILQRYXLUIUCF-SANMLTNESA-N 0 0 590.721 4.754 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088680 1066395867 /nfs/dbraw/zinc/39/58/67/1066395867.db2.gz LIQMFHLJXIINMW-UVMMSNCQSA-N 0 0 646.760 4.787 50 0 KJAARN CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1ccccn1 ZINC000888088707 1066395858 /nfs/dbraw/zinc/39/58/58/1066395858.db2.gz MWBOPDPRSCIFGB-AHKZPQOWSA-N 0 0 588.705 4.545 50 0 KJAARN CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1ccccn1 ZINC000888088708 1066396033 /nfs/dbraw/zinc/39/60/33/1066396033.db2.gz MWBOPDPRSCIFGB-BDYUSTAISA-N 0 0 588.705 4.545 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCn3c(C)nc4ccccc43)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088712 1066395949 /nfs/dbraw/zinc/39/59/49/1066395949.db2.gz NGCAQFCOPHSTDG-UBOZLPQGSA-N 0 0 641.769 4.774 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCc3cn(C)c4ccccc34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088750 1066395918 /nfs/dbraw/zinc/39/59/18/1066395918.db2.gz PQHSCHSWJLBJGK-DCFHFQCYSA-N 0 0 612.727 4.514 50 0 KJAARN COC(=O)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)cc1 ZINC000888088760 1066395902 /nfs/dbraw/zinc/39/59/02/1066395902.db2.gz QGOPIYBJTFUDAG-ALEBKMDESA-N 0 0 582.005 4.995 50 0 KJAARN COC(=O)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)cc1 ZINC000888088761 1066395996 /nfs/dbraw/zinc/39/59/96/1066395996.db2.gz QGOPIYBJTFUDAG-DRTJVDATSA-N 0 0 582.005 4.995 50 0 KJAARN COC(=O)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)cc1 ZINC000888088762 1066395936 /nfs/dbraw/zinc/39/59/36/1066395936.db2.gz QGOPIYBJTFUDAG-GCNVDCLOSA-N 0 0 582.005 4.995 50 0 KJAARN COC(=O)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)cc1 ZINC000888088763 1066396248 /nfs/dbraw/zinc/39/62/48/1066396248.db2.gz QGOPIYBJTFUDAG-MUOSVDGTSA-N 0 0 582.005 4.995 50 0 KJAARN CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1ccccn1 ZINC000888088793 1066396296 /nfs/dbraw/zinc/39/62/96/1066396296.db2.gz RKWATLAGHMQULF-XCZPVHLTSA-N 0 0 602.732 4.588 50 0 KJAARN CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1ccccn1 ZINC000888088794 1066396261 /nfs/dbraw/zinc/39/62/61/1066396261.db2.gz RKWATLAGHMQULF-XTEPFMGCSA-N 0 0 602.732 4.588 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3n[nH]c(-c4ccccc4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888088795 1066396440 /nfs/dbraw/zinc/39/64/40/1066396440.db2.gz RMAIJCMFSZWQHR-AOYPEHQESA-N 0 0 658.781 4.820 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3n[nH]c(-c4ccccc4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088796 1066396489 /nfs/dbraw/zinc/39/64/89/1066396489.db2.gz RMAIJCMFSZWQHR-AZGAKELHSA-N 0 0 658.781 4.820 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3n[nH]c(-c4ccccc4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888088797 1066396345 /nfs/dbraw/zinc/39/63/45/1066396345.db2.gz RMAIJCMFSZWQHR-RSXGOPAZSA-N 0 0 658.781 4.820 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3ccccc3F)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088812 1066395890 /nfs/dbraw/zinc/39/58/90/1066395890.db2.gz SCEPNONINIXCFM-VWLOTQADSA-N 0 0 577.653 4.511 50 0 KJAARN CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1ccco1 ZINC000888088879 1066396382 /nfs/dbraw/zinc/39/63/82/1066396382.db2.gz VSRCWOOMEVDMGX-AHWVRZQESA-N 0 0 577.678 4.743 50 0 KJAARN CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCc1ccco1 ZINC000888088880 1066396525 /nfs/dbraw/zinc/39/65/25/1066396525.db2.gz VSRCWOOMEVDMGX-AZGAKELHSA-N 0 0 577.678 4.743 50 0 KJAARN CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCC(C)C ZINC000888088931 1066396395 /nfs/dbraw/zinc/39/63/95/1066396395.db2.gz XZLUJRROVXXOPZ-UKILVPOCSA-N 0 0 553.700 4.606 50 0 KJAARN CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCC(C)C ZINC000888088932 1066396473 /nfs/dbraw/zinc/39/64/73/1066396473.db2.gz XZLUJRROVXXOPZ-ZCYQVOJMSA-N 0 0 553.700 4.606 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@H](C)CCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088946 1066396411 /nfs/dbraw/zinc/39/64/11/1066396411.db2.gz YOZSFBXHOABWOX-BUEREQSYSA-N 0 0 587.717 4.801 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@@H](C)CCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088947 1066396317 /nfs/dbraw/zinc/39/63/17/1066396317.db2.gz YOZSFBXHOABWOX-IZVMNLJQSA-N 0 0 587.717 4.801 50 0 KJAARN COC(=O)COc1cc([C@@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1OC ZINC000888088970 1066396578 /nfs/dbraw/zinc/39/65/78/1066396578.db2.gz ADPKUEMIONWPQY-AREMUKBSSA-N 0 0 517.582 4.707 50 0 KJAARN COC(=O)COc1cc([C@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1OC ZINC000888088971 1066396332 /nfs/dbraw/zinc/39/63/32/1066396332.db2.gz ADPKUEMIONWPQY-SANMLTNESA-N 0 0 517.582 4.707 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000888089087 1066396789 /nfs/dbraw/zinc/39/67/89/1066396789.db2.gz HFDBRSLSFRKVQZ-AYEPJGDXSA-N 0 0 600.020 4.931 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000888089088 1066397104 /nfs/dbraw/zinc/39/71/04/1066397104.db2.gz HFDBRSLSFRKVQZ-MIQSNYMXSA-N 0 0 600.020 4.931 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000888089089 1066396843 /nfs/dbraw/zinc/39/68/43/1066396843.db2.gz HFDBRSLSFRKVQZ-QQENZEKBSA-N 0 0 600.020 4.931 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000888089090 1066396852 /nfs/dbraw/zinc/39/68/52/1066396852.db2.gz HFDBRSLSFRKVQZ-ZFYPGXGSSA-N 0 0 600.020 4.931 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cccc(OCc2ccccn2)c1 ZINC000888089166 1066397573 /nfs/dbraw/zinc/39/75/73/1066397573.db2.gz MHWIBUHYSDWXOB-LTRPWXDLSA-N 0 0 671.106 4.813 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1cccc(OCc2ccccn2)c1 ZINC000888089167 1066396900 /nfs/dbraw/zinc/39/69/00/1066396900.db2.gz MHWIBUHYSDWXOB-MCBNUAMVSA-N 0 0 671.106 4.813 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cccc(OCc2ccccn2)c1 ZINC000888089168 1066396966 /nfs/dbraw/zinc/39/69/66/1066396966.db2.gz MHWIBUHYSDWXOB-MXXCRXJNSA-N 0 0 671.106 4.813 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1cccc(OCc2ccccn2)c1 ZINC000888089169 1066396741 /nfs/dbraw/zinc/39/67/41/1066396741.db2.gz MHWIBUHYSDWXOB-QJFPOFKISA-N 0 0 671.106 4.813 50 0 KJAARN COc1ccc(CCc2nnc(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)[nH]2)cc1OC ZINC000888089178 1066397033 /nfs/dbraw/zinc/39/70/33/1066397033.db2.gz NGOFDYKRKVTNMQ-IAPPQJPRSA-N 0 0 746.887 4.956 50 0 KJAARN COc1ccc(CCc2nnc(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)[nH]2)cc1OC ZINC000888089179 1066396864 /nfs/dbraw/zinc/39/68/64/1066396864.db2.gz NGOFDYKRKVTNMQ-IXCJQBJRSA-N 0 0 746.887 4.956 50 0 KJAARN COc1ccc(CCc2nnc(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)[nH]2)cc1OC ZINC000888089180 1066397332 /nfs/dbraw/zinc/39/73/32/1066397332.db2.gz NGOFDYKRKVTNMQ-XTEPFMGCSA-N 0 0 746.887 4.956 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4[nH]c(C)nc4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888089289 1066397291 /nfs/dbraw/zinc/39/72/91/1066397291.db2.gz SRTBIUDMLJHVNE-XMMPIXPASA-N 0 0 599.688 4.879 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3n[nH]c(COc4ccccc4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888089382 1066397898 /nfs/dbraw/zinc/39/78/98/1066397898.db2.gz YQOZRWJTZRFDGW-AHKZPQOWSA-N 0 0 688.807 4.732 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3n[nH]c(COc4ccccc4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888089383 1066397985 /nfs/dbraw/zinc/39/79/85/1066397985.db2.gz YQOZRWJTZRFDGW-VPUSJEBWSA-N 0 0 688.807 4.732 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3n[nH]c(COc4ccccc4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888089384 1066398099 /nfs/dbraw/zinc/39/80/99/1066398099.db2.gz YQOZRWJTZRFDGW-XNMGPUDCSA-N 0 0 688.807 4.732 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000888089396 1066397514 /nfs/dbraw/zinc/39/75/14/1066397514.db2.gz ZWKLTOGVLLXURV-DDILOZNCSA-N 0 0 569.994 4.923 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000888089397 1066397267 /nfs/dbraw/zinc/39/72/67/1066397267.db2.gz ZWKLTOGVLLXURV-FZNVANLSSA-N 0 0 569.994 4.923 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000888089398 1066397529 /nfs/dbraw/zinc/39/75/29/1066397529.db2.gz ZWKLTOGVLLXURV-GATJZMNISA-N 0 0 569.994 4.923 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000888089399 1066397461 /nfs/dbraw/zinc/39/74/61/1066397461.db2.gz ZWKLTOGVLLXURV-KYPWRMEMSA-N 0 0 569.994 4.923 50 0 KJAARN COC(=O)COc1cccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)c1 ZINC000888089419 1066397821 /nfs/dbraw/zinc/39/78/21/1066397821.db2.gz BEPBEYMDGHNJIJ-BHURQDKOSA-N 0 0 612.031 4.760 50 0 KJAARN COC(=O)COc1cccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)c1 ZINC000888089420 1066397936 /nfs/dbraw/zinc/39/79/36/1066397936.db2.gz BEPBEYMDGHNJIJ-BWEYNZAKSA-N 0 0 612.031 4.760 50 0 KJAARN COC(=O)COc1cccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)c1 ZINC000888089421 1066397851 /nfs/dbraw/zinc/39/78/51/1066397851.db2.gz BEPBEYMDGHNJIJ-MYFDSQFMSA-N 0 0 612.031 4.760 50 0 KJAARN COC(=O)COc1cccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)c1 ZINC000888089422 1066397908 /nfs/dbraw/zinc/39/79/08/1066397908.db2.gz BEPBEYMDGHNJIJ-MYUMJSFVSA-N 0 0 612.031 4.760 50 0 KJAARN COC(=O)C[C@@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000888089477 1066397735 /nfs/dbraw/zinc/39/77/35/1066397735.db2.gz GCOCUPCJLPCSGB-IBGZPJMESA-N 0 0 515.488 4.802 50 0 KJAARN COC(=O)C[C@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000888089478 1066398038 /nfs/dbraw/zinc/39/80/38/1066398038.db2.gz GCOCUPCJLPCSGB-LJQANCHMSA-N 0 0 515.488 4.802 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000888089605 1066397944 /nfs/dbraw/zinc/39/79/44/1066397944.db2.gz RKGDTPBUBRVVGL-DDILOZNCSA-N 0 0 569.994 4.923 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000888089606 1066398029 /nfs/dbraw/zinc/39/80/29/1066398029.db2.gz RKGDTPBUBRVVGL-FZNVANLSSA-N 0 0 569.994 4.923 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000888089607 1066397884 /nfs/dbraw/zinc/39/78/84/1066397884.db2.gz RKGDTPBUBRVVGL-GATJZMNISA-N 0 0 569.994 4.923 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000888089608 1066397972 /nfs/dbraw/zinc/39/79/72/1066397972.db2.gz RKGDTPBUBRVVGL-KYPWRMEMSA-N 0 0 569.994 4.923 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000888089677 1066398380 /nfs/dbraw/zinc/39/83/80/1066398380.db2.gz WHZHWJXELWSJIY-AXNJZRPJSA-N 0 0 618.735 4.714 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000888089678 1066398656 /nfs/dbraw/zinc/39/86/56/1066398656.db2.gz WHZHWJXELWSJIY-HFOMZHBHSA-N 0 0 618.735 4.714 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000888089679 1066398493 /nfs/dbraw/zinc/39/84/93/1066398493.db2.gz WHZHWJXELWSJIY-IYRXFJASSA-N 0 0 618.735 4.714 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000888089680 1066398295 /nfs/dbraw/zinc/39/82/95/1066398295.db2.gz WHZHWJXELWSJIY-UJDKCDIISA-N 0 0 618.735 4.714 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c([C@H]2COc3ccccc3O2)n1 ZINC000888089701 1066398570 /nfs/dbraw/zinc/39/85/70/1066398570.db2.gz ZYVFTVFIZKEGCD-BTVWIUPZSA-N 0 0 698.777 4.959 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c([C@@H]2COc3ccccc3O2)n1 ZINC000888089702 1066398698 /nfs/dbraw/zinc/39/86/98/1066398698.db2.gz ZYVFTVFIZKEGCD-MPTQALOHSA-N 0 0 698.777 4.959 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c([C@H]2COc3ccccc3O2)n1 ZINC000888089703 1066398530 /nfs/dbraw/zinc/39/85/30/1066398530.db2.gz ZYVFTVFIZKEGCD-TXGALRDESA-N 0 0 698.777 4.959 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c([C@@H]2COc3ccccc3O2)n1 ZINC000888089704 1066398466 /nfs/dbraw/zinc/39/84/66/1066398466.db2.gz ZYVFTVFIZKEGCD-UINGAYAWSA-N 0 0 698.777 4.959 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888089710 1066399277 /nfs/dbraw/zinc/39/92/77/1066399277.db2.gz AMZNAPTVILOTES-WJOKGBTCSA-N 0 0 724.859 4.829 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000888089794 1066399249 /nfs/dbraw/zinc/39/92/49/1066399249.db2.gz INHGQMPYIVYCOQ-BZWCRFLISA-N 0 0 630.702 4.706 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000888089795 1066398945 /nfs/dbraw/zinc/39/89/45/1066398945.db2.gz INHGQMPYIVYCOQ-JMWMNHOVSA-N 0 0 630.702 4.706 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000888089796 1066399119 /nfs/dbraw/zinc/39/91/19/1066399119.db2.gz INHGQMPYIVYCOQ-OOFIYHFUSA-N 0 0 630.702 4.706 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000888089797 1066399376 /nfs/dbraw/zinc/39/93/76/1066399376.db2.gz INHGQMPYIVYCOQ-SROSBETESA-N 0 0 630.702 4.706 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(Br)s1 ZINC000888089836 1066399114 /nfs/dbraw/zinc/39/91/14/1066399114.db2.gz KNRSRCXQEIVJAR-DIYUFGHOSA-N 0 0 648.919 4.663 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(Br)s1 ZINC000888089837 1066399192 /nfs/dbraw/zinc/39/91/92/1066399192.db2.gz KNRSRCXQEIVJAR-DLWYFESISA-N 0 0 648.919 4.663 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(Br)s1 ZINC000888089838 1066399183 /nfs/dbraw/zinc/39/91/83/1066399183.db2.gz KNRSRCXQEIVJAR-FJTGWBNESA-N 0 0 648.919 4.663 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(Br)s1 ZINC000888089839 1066399301 /nfs/dbraw/zinc/39/93/01/1066399301.db2.gz KNRSRCXQEIVJAR-PBHRRIGUSA-N 0 0 648.919 4.663 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000888089933 1066398561 /nfs/dbraw/zinc/39/85/61/1066398561.db2.gz QJKZCLRNEZKQHD-BMQIHERASA-N 0 0 539.968 4.914 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000888089934 1066399289 /nfs/dbraw/zinc/39/92/89/1066399289.db2.gz QJKZCLRNEZKQHD-IZRIWUHASA-N 0 0 539.968 4.914 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000888089935 1066399153 /nfs/dbraw/zinc/39/91/53/1066399153.db2.gz QJKZCLRNEZKQHD-QGRLGOIZSA-N 0 0 539.968 4.914 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000888089936 1066399039 /nfs/dbraw/zinc/39/90/39/1066399039.db2.gz QJKZCLRNEZKQHD-ULMZNUDNSA-N 0 0 539.968 4.914 50 0 KJAARN COCc1nnc(-c2ccc(NC(=O)[C@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cc2)[nH]1 ZINC000888089941 1066399005 /nfs/dbraw/zinc/39/90/05/1066399005.db2.gz QOWSBVSYMZGHQG-IAPPQJPRSA-N 0 0 702.834 4.967 50 0 KJAARN COCc1nnc(-c2ccc(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cc2)[nH]1 ZINC000888089942 1066399162 /nfs/dbraw/zinc/39/91/62/1066399162.db2.gz QOWSBVSYMZGHQG-IXCJQBJRSA-N 0 0 702.834 4.967 50 0 KJAARN COCc1nnc(-c2ccc(NC(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cc2)[nH]1 ZINC000888089943 1066399907 /nfs/dbraw/zinc/39/99/07/1066399907.db2.gz QOWSBVSYMZGHQG-XTEPFMGCSA-N 0 0 702.834 4.967 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(C(C)C)[nH]1 ZINC000888089997 1066399835 /nfs/dbraw/zinc/39/98/35/1066399835.db2.gz VIJSGYLZHXBSLZ-KVFJWPORSA-N 0 0 606.724 4.570 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(C(C)C)[nH]1 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/nfs/dbraw/zinc/40/06/08/1066400608.db2.gz HTWKRMYYGFDREF-ULMZNUDNSA-N 0 0 539.968 4.914 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000888090290 1066401598 /nfs/dbraw/zinc/40/15/98/1066401598.db2.gz PWDXQXZYVWLAEB-DDILOZNCSA-N 0 0 567.978 4.937 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000888090291 1066401458 /nfs/dbraw/zinc/40/14/58/1066401458.db2.gz PWDXQXZYVWLAEB-FZNVANLSSA-N 0 0 567.978 4.937 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000888090292 1066401409 /nfs/dbraw/zinc/40/14/09/1066401409.db2.gz PWDXQXZYVWLAEB-GATJZMNISA-N 0 0 567.978 4.937 50 0 KJAARN COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000888090293 1066401503 /nfs/dbraw/zinc/40/15/03/1066401503.db2.gz PWDXQXZYVWLAEB-KYPWRMEMSA-N 0 0 567.978 4.937 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(OCC(C)C)cc1 ZINC000888090337 1066401438 /nfs/dbraw/zinc/40/14/38/1066401438.db2.gz TXGUOGMFLRBOAF-ANQHVZHTSA-N 0 0 636.101 4.873 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(OCC(C)C)cc1 ZINC000888090338 1066401546 /nfs/dbraw/zinc/40/15/46/1066401546.db2.gz TXGUOGMFLRBOAF-MWWFPHHBSA-N 0 0 636.101 4.873 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OCC(C)C)cc1 ZINC000888090339 1066401393 /nfs/dbraw/zinc/40/13/93/1066401393.db2.gz TXGUOGMFLRBOAF-UQXKGILASA-N 0 0 636.101 4.873 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OCC(C)C)cc1 ZINC000888090340 1066401445 /nfs/dbraw/zinc/40/14/45/1066401445.db2.gz TXGUOGMFLRBOAF-XTZSJBKOSA-N 0 0 636.101 4.873 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000888090362 1066401422 /nfs/dbraw/zinc/40/14/22/1066401422.db2.gz VCRBQHVRKAKVTK-AFPDSDBBSA-N 0 0 620.751 4.645 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000888090363 1066402140 /nfs/dbraw/zinc/40/21/40/1066402140.db2.gz VCRBQHVRKAKVTK-CHNWYSDESA-N 0 0 620.751 4.645 50 0 KJAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000888090364 1066402106 /nfs/dbraw/zinc/40/21/06/1066402106.db2.gz VCRBQHVRKAKVTK-GMXDNTTCSA-N 0 0 620.751 4.645 50 0 KJAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000888090365 1066402254 /nfs/dbraw/zinc/40/22/54/1066402254.db2.gz VCRBQHVRKAKVTK-YBXHTJDYSA-N 0 0 620.751 4.645 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(C(C)C)cc1 ZINC000888090540 1066402158 /nfs/dbraw/zinc/40/21/58/1066402158.db2.gz HTFXINVAJQNGLA-FWODQKMASA-N 0 0 606.075 4.962 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(C(C)C)cc1 ZINC000888090541 1066402325 /nfs/dbraw/zinc/40/23/25/1066402325.db2.gz HTFXINVAJQNGLA-MEOSVHBKSA-N 0 0 606.075 4.962 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(C(C)C)cc1 ZINC000888090542 1066402204 /nfs/dbraw/zinc/40/22/04/1066402204.db2.gz HTFXINVAJQNGLA-PAZMNBEESA-N 0 0 606.075 4.962 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(C(C)C)cc1 ZINC000888090543 1066403212 /nfs/dbraw/zinc/40/32/12/1066403212.db2.gz HTFXINVAJQNGLA-QUOLKZGZSA-N 0 0 606.075 4.962 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(Cl)c1 ZINC000888090705 1066402130 /nfs/dbraw/zinc/40/21/30/1066402130.db2.gz OXGGGXWDWWTCJZ-AYUPETMSSA-N 0 0 628.465 4.501 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(Cl)c1 ZINC000888090706 1066402175 /nfs/dbraw/zinc/40/21/75/1066402175.db2.gz OXGGGXWDWWTCJZ-NNFLNWRISA-N 0 0 628.465 4.501 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(Cl)c1 ZINC000888090707 1066402314 /nfs/dbraw/zinc/40/23/14/1066402314.db2.gz OXGGGXWDWWTCJZ-XCRXPNQSSA-N 0 0 628.465 4.501 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(Cl)c1 ZINC000888090708 1066402120 /nfs/dbraw/zinc/40/21/20/1066402120.db2.gz OXGGGXWDWWTCJZ-XOTHHPKNSA-N 0 0 628.465 4.501 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3n[nH]c(-c4c[nH]c5ccccc54)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090746 1066402210 /nfs/dbraw/zinc/40/22/10/1066402210.db2.gz QTGMVOMVUHPMDM-AREMUKBSSA-N 0 0 651.724 4.960 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(F)c(Cl)c1 ZINC000888090865 1066403364 /nfs/dbraw/zinc/40/33/64/1066403364.db2.gz YBJYZDRAOFUUGD-GOQWNVGWSA-N 0 0 616.429 4.631 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(F)c(Cl)c1 ZINC000888090866 1066403238 /nfs/dbraw/zinc/40/32/38/1066403238.db2.gz YBJYZDRAOFUUGD-INFYLKHNSA-N 0 0 616.429 4.631 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(F)c(Cl)c1 ZINC000888090867 1066403049 /nfs/dbraw/zinc/40/30/49/1066403049.db2.gz YBJYZDRAOFUUGD-NKMASRCJSA-N 0 0 616.429 4.631 50 0 KJAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(F)c(Cl)c1 ZINC000888090868 1066403292 /nfs/dbraw/zinc/40/32/92/1066403292.db2.gz YBJYZDRAOFUUGD-ZIQYAYLKSA-N 0 0 616.429 4.631 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3nnc(CCc4c[nH]c5ccccc45)[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090900 1066403131 /nfs/dbraw/zinc/40/31/31/1066403131.db2.gz ZYJDQOGTHOTMML-UZTOHYMASA-N 0 0 665.751 4.687 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3nnc(CCc4c[nH]c5ccccc45)[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888090901 1066403333 /nfs/dbraw/zinc/40/33/33/1066403333.db2.gz ZYJDQOGTHOTMML-WINIVTDRSA-N 0 0 665.751 4.687 50 0 KJAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3nnc(CCc4c[nH]c5ccccc45)[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090902 1066403918 /nfs/dbraw/zinc/40/39/18/1066403918.db2.gz ZYJDQOGTHOTMML-XHCCPWGMSA-N 0 0 665.751 4.687 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)N[C@@H](C)CCc3ccccc3)c2n1 ZINC000888104388 1066406079 /nfs/dbraw/zinc/40/60/79/1066406079.db2.gz WXEWFVZSAMKTBU-FQEVSTJZSA-N 0 0 507.594 4.868 50 0 KJAARN Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)N[C@H](C)CCc3ccccc3)c2n1 ZINC000888104389 1066406202 /nfs/dbraw/zinc/40/62/02/1066406202.db2.gz WXEWFVZSAMKTBU-HXUWFJFHSA-N 0 0 507.594 4.868 50 0 KJAARN Cc1nccc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)n1 ZINC000952855817 1066507674 /nfs/dbraw/zinc/50/76/74/1066507674.db2.gz DOSAKBICEWXYCF-GDLZYMKVSA-N 0 0 536.588 4.583 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCCC(=O)c3ccccc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952855897 1066507661 /nfs/dbraw/zinc/50/76/61/1066507661.db2.gz NXTLGIGRWWVDHN-CDZUIXILSA-N 0 0 613.711 4.667 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cccc(C)c3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856223 1066507850 /nfs/dbraw/zinc/50/78/50/1066507850.db2.gz BKPBIXZCPMRPBX-AJQTZOPKSA-N 0 0 643.781 4.832 50 0 KJAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cccn4cc(C)nc34)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856316 1066507880 /nfs/dbraw/zinc/50/78/80/1066507880.db2.gz XXMLLLFLQDUXRP-CONSDPRKSA-N 0 0 625.726 4.614 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(c3ncnc4sc(C)c(C)c43)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952856351 1066507632 /nfs/dbraw/zinc/50/76/32/1066507632.db2.gz FYMAIGAREHXOSN-SVBPBHIXSA-N 0 0 601.729 4.913 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)Cc3c(C)[nH]c4c3cccc4F)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952856413 1066507774 /nfs/dbraw/zinc/50/77/74/1066507774.db2.gz DEAUBKHHFXHIDV-CONSDPRKSA-N 0 0 628.701 4.785 50 0 KJAARN O=C(c1ccccn1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952856425 1066507858 /nfs/dbraw/zinc/50/78/58/1066507858.db2.gz FAHITQCOGVRENN-LJAQVGFWSA-N 0 0 521.573 4.880 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(CSC)o3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952856434 1066507618 /nfs/dbraw/zinc/50/76/18/1066507618.db2.gz HSYAGQWXXXUOMN-WUFINQPMSA-N 0 0 623.772 4.712 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cn(C)c4ccccc34)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952856479 1066507889 /nfs/dbraw/zinc/50/78/89/1066507889.db2.gz JJAUUNQVNXWVEQ-XDFJSJKPSA-N 0 0 626.754 4.747 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cc(C)nc4cc(F)ccc43)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952856501 1066507603 /nfs/dbraw/zinc/50/76/03/1066507603.db2.gz KDGQEMDVGWKCJG-ACHIHNKUSA-N 0 0 626.685 4.923 50 0 KJAARN Cc1ccc(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)cc1 ZINC000952856572 1066507764 /nfs/dbraw/zinc/50/77/64/1066507764.db2.gz OQEXEVPRZRGSAV-AJQTZOPKSA-N 0 0 597.712 4.555 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cnc(C4CCCCC4)nc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952856607 1066507803 /nfs/dbraw/zinc/50/78/03/1066507803.db2.gz CKOMFGMEGGDOFJ-IZEXYCQBSA-N 0 0 571.722 4.656 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3csc4c3CCCC4)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952856671 1066508339 /nfs/dbraw/zinc/50/83/39/1066508339.db2.gz FKBSZYHSCSXFMJ-VMPREFPWSA-N 0 0 603.741 4.868 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cccc(-c4cc[nH]n4)c3)C[C@@H]1NC(=O)CC2 ZINC000952856764 1066508189 /nfs/dbraw/zinc/50/81/89/1066508189.db2.gz QOKCRXDJVDPPDG-WUFINQPMSA-N 0 0 552.631 4.740 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952856829 1066508146 /nfs/dbraw/zinc/50/81/46/1066508146.db2.gz SFPVPLQPTVCGAH-LSYYVWMOSA-N 0 0 555.597 4.838 50 0 KJAARN O=C1COc2ccc3c(c2)CCN(C(=O)CCc2nc4ccccc4s2)[C@H]3c2cccc(c2)OCCCN1 ZINC000952856904 1066508382 /nfs/dbraw/zinc/50/83/82/1066508382.db2.gz DDBAIKHTWNDKQE-PMERELPUSA-N 0 0 527.646 4.681 50 0 KJAARN O=C(Cc1cccnc1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952856986 1066508249 /nfs/dbraw/zinc/50/82/49/1066508249.db2.gz PNVLPUNNCAMSEG-HKBQPEDESA-N 0 0 535.600 4.809 50 0 KJAARN Cc1nc(C(C)C)sc1C(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952857062 1066508181 /nfs/dbraw/zinc/50/81/81/1066508181.db2.gz OBRWOYCJZBNJLV-SVBPBHIXSA-N 0 0 560.720 4.871 50 0 KJAARN O=C(c1cccnc1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952857098 1066508204 /nfs/dbraw/zinc/50/82/04/1066508204.db2.gz ZINUMLDDFBWXPW-LJAQVGFWSA-N 0 0 521.573 4.880 50 0 KJAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc4c(c3)ncn4C)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952857419 1066508332 /nfs/dbraw/zinc/50/83/32/1066508332.db2.gz YBRFUUTXAGQYAP-CDZUIXILSA-N 0 0 625.726 4.545 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3ncnc4sccc43)C[C@@H]1NC(=O)CC2 ZINC000952857482 1066508350 /nfs/dbraw/zinc/50/83/50/1066508350.db2.gz IKYQTTSKVRUXKC-XZOQPEGZSA-N 0 0 516.623 4.719 50 0 KJAARN CC(=O)c1ccc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)s1 ZINC000952857539 1066508425 /nfs/dbraw/zinc/50/84/25/1066508425.db2.gz PTNQULVDHKEEOZ-WUFINQPMSA-N 0 0 617.724 4.581 50 0 KJAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@H](C(=O)N(C)Cc2cccnc2)NC1=O ZINC000952857587 1066508317 /nfs/dbraw/zinc/50/83/17/1066508317.db2.gz YOGGQDOIKXXFQV-LBFZIJHGSA-N 0 0 679.793 4.513 50 0 KJAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3c(C)n(C)c4ccc(OC)cc43)CC[C@H]1OCc1cccc(c1)O2 ZINC000952857618 1066508391 /nfs/dbraw/zinc/50/83/91/1066508391.db2.gz RSNFUWPZHYUSRB-XDFJSJKPSA-N 0 0 640.737 4.688 50 0 KJAARN COCc1c(C)onc1C(=O)N1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952857652 1066508302 /nfs/dbraw/zinc/50/83/02/1066508302.db2.gz QOKUJKAPPRRKJR-SSEXGKCCSA-N 0 0 569.614 4.928 50 0 KJAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3sc(C(C)C)nc3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857729 1066508400 /nfs/dbraw/zinc/50/84/00/1066508400.db2.gz MPRJJOXVRDDFEX-SVBPBHIXSA-N 0 0 590.746 4.688 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(C(C)C)cc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952857802 1066508171 /nfs/dbraw/zinc/50/81/71/1066508171.db2.gz OZQJOGFBZUYFOT-FIBWVYCGSA-N 0 0 543.664 4.582 50 0 KJAARN Cc1cc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)n(C)n1 ZINC000952857814 1066509000 /nfs/dbraw/zinc/50/90/00/1066509000.db2.gz VEZLJAFFOKKEOH-GDLZYMKVSA-N 0 0 538.604 4.527 50 0 KJAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2cccnc2)NC1=O ZINC000952857845 1066508950 /nfs/dbraw/zinc/50/89/50/1066508950.db2.gz YOGGQDOIKXXFQV-GMTSZFNJSA-N 0 0 679.793 4.513 50 0 KJAARN CCc1nc(C)c(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(OC(C)C)cc(c4)C(=O)N(CC)CC(=O)N[C@H]3C2)o1 ZINC000952857872 1066508671 /nfs/dbraw/zinc/50/86/71/1066508671.db2.gz RKTDHZSXDNVLIA-NSOVKSMOSA-N 0 0 604.704 4.517 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@@H]1NC(=O)CC2 ZINC000952857908 1066508681 /nfs/dbraw/zinc/50/86/81/1066508681.db2.gz YGPDNLBHNJBOFP-WUFINQPMSA-N 0 0 552.631 4.536 50 0 KJAARN Cc1cc2c(cn1)CN(C(=O)[C@@H]1Cc3ccc(cc3)Oc3cccc(c3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N1)C2 ZINC000952858558 1066508924 /nfs/dbraw/zinc/50/89/24/1066508924.db2.gz CRWXLGXXQYULOH-XFQWPLCWSA-N 0 0 659.787 4.638 50 0 KJAARN CCn1ccc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)cc1=O ZINC000952858994 1066508847 /nfs/dbraw/zinc/50/88/47/1066508847.db2.gz MHSZUOSDZXJYOE-WJOKGBTCSA-N 0 0 565.626 4.666 50 0 KJAARN CCc1nc(C)c(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CCC(=O)N[C@H]3C2)s1 ZINC000952859353 1066508893 /nfs/dbraw/zinc/50/88/93/1066508893.db2.gz RMBQPGCNXJWTJL-XZOQPEGZSA-N 0 0 535.666 4.677 50 0 KJAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3c[nH]nc3C3CCCCC3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952859372 1066508862 /nfs/dbraw/zinc/50/88/62/1066508862.db2.gz UAYGPDWAAGGHQP-XZWHSSHBSA-N 0 0 615.731 4.650 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3ccc(SC)cc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952859650 1066508713 /nfs/dbraw/zinc/50/87/13/1066508713.db2.gz ZENVDGLHGLLDHX-WNJJXGMVSA-N 0 0 533.694 4.541 50 0 KJAARN CCNc1nc(C)c(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CCC(=O)N[C@H]3C2)s1 ZINC000952861431 1066508909 /nfs/dbraw/zinc/50/89/09/1066508909.db2.gz ACCRUMYRLIWGCF-XZOQPEGZSA-N 0 0 550.681 4.547 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(C)s3)C[C@@H]1NC(=O)CC2 ZINC000952861435 1066508962 /nfs/dbraw/zinc/50/89/62/1066508962.db2.gz AEEXXHCSFSDCCX-XZOQPEGZSA-N 0 0 506.624 4.720 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952861583 1066508876 /nfs/dbraw/zinc/50/88/76/1066508876.db2.gz BGODVZGPGWSGBU-LMSSTIIKSA-N 0 0 648.160 4.557 50 0 KJAARN Cc1nc[nH]c1CN1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952861592 1066508793 /nfs/dbraw/zinc/50/87/93/1066508793.db2.gz DZDABRJAWAPGCI-GDLZYMKVSA-N 0 0 510.594 4.876 50 0 KJAARN CCCc1nc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CCC(=O)N[C@H]3C2)cs1 ZINC000952861675 1066508841 /nfs/dbraw/zinc/50/88/41/1066508841.db2.gz DXCHLNLNIVZNIU-LADGPHEKSA-N 0 0 535.666 4.759 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cc(C)ccc3Cl)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952861873 1066508701 /nfs/dbraw/zinc/50/87/01/1066508701.db2.gz CRZROJSOJPTJLU-VMPREFPWSA-N 0 0 592.092 4.889 50 0 KJAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3c[nH]nc3C3CCCCC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861933 1066508989 /nfs/dbraw/zinc/50/89/89/1066508989.db2.gz DILHHOOYBVKGCS-WUFINQPMSA-N 0 0 585.705 4.560 50 0 KJAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(c3nc4ccccc4s3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952862054 1066508975 /nfs/dbraw/zinc/50/89/75/1066508975.db2.gz LBPZNKUIGLJJBY-WNJJXGMVSA-N 0 0 598.725 4.925 50 0 KJAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862077 1066508742 /nfs/dbraw/zinc/50/87/42/1066508742.db2.gz JXNNSTIPGVWQRZ-KYJUHHDHSA-N 0 0 589.664 4.797 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc4cc(OC)ccc4[nH]3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952862425 1066508937 /nfs/dbraw/zinc/50/89/37/1066508937.db2.gz MYAZAADLSGSMAJ-AJQTZOPKSA-N 0 0 642.753 4.746 50 0 KJAARN O=C(c1ccncc1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952862457 1066509405 /nfs/dbraw/zinc/50/94/05/1066509405.db2.gz NXWRPDURWBXCDM-LJAQVGFWSA-N 0 0 521.573 4.880 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(F)ccc3F)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952862489 1066509347 /nfs/dbraw/zinc/50/93/47/1066509347.db2.gz ACQNEWLBNBIYNR-URLMMPGGSA-N 0 0 609.670 4.534 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(N4CCCC4)cc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952862511 1066509493 /nfs/dbraw/zinc/50/94/93/1066509493.db2.gz AKHUKARHUGREPX-JHOUSYSJSA-N 0 0 642.797 4.856 50 0 KJAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCCC4)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862538 1066509231 /nfs/dbraw/zinc/50/92/31/1066509231.db2.gz BAEKTYLMGHZHFN-ACHIHNKUSA-N 0 0 642.753 4.637 50 0 KJAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3sc(C)nc3C)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862579 1066509360 /nfs/dbraw/zinc/50/93/60/1066509360.db2.gz BPWPWANWEJIGBC-NSOVKSMOSA-N 0 0 606.745 4.731 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(C)s3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862615 1066509469 /nfs/dbraw/zinc/50/94/69/1066509469.db2.gz BZKDACAHNXDTGG-WUFINQPMSA-N 0 0 635.783 4.585 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(c3ccc(C(F)(F)F)cn3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863054 1066509278 /nfs/dbraw/zinc/50/92/78/1066509278.db2.gz RKUBBZWZTMKGMN-UIOOFZCWSA-N 0 0 584.595 4.705 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc4cccc(Cl)c4n3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952863075 1066509241 /nfs/dbraw/zinc/50/92/41/1066509241.db2.gz SAMKFOOJUXTRDY-WNJJXGMVSA-N 0 0 587.076 4.661 50 0 KJAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cnc4c(c3)CCC4)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952863080 1066509455 /nfs/dbraw/zinc/50/94/55/1066509455.db2.gz FOBSRBUHBKEEGH-ACHIHNKUSA-N 0 0 612.727 4.542 50 0 KJAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2ccccn2)NC1=O ZINC000952863222 1066509514 /nfs/dbraw/zinc/50/95/14/1066509514.db2.gz UYBJBQQDYDKFJJ-GMTSZFNJSA-N 0 0 679.793 4.513 50 0 KJAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc4c(cccc4C)n3C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952863336 1066509480 /nfs/dbraw/zinc/50/94/80/1066509480.db2.gz IIHHBWOSINRFQE-DODOAAEWSA-N 0 0 636.749 4.751 50 0 KJAARN CCN1CC(=O)N[C@H]2CN(Cc3cccc(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952863340 1066509308 /nfs/dbraw/zinc/50/93/08/1066509308.db2.gz DUSKJAWFSVFENN-CONSDPRKSA-N 0 0 572.706 4.721 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952863344 1066509254 /nfs/dbraw/zinc/50/92/54/1066509254.db2.gz DVQWAMMISGDTKG-IOWSJCHKSA-N 0 0 639.753 4.646 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3scc4c3CCCC4)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863434 1066509444 /nfs/dbraw/zinc/50/94/44/1066509444.db2.gz AMHIGUQLIMOPIA-VMPREFPWSA-N 0 0 603.741 4.868 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(C)c(C)c3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952863603 1066507650 /nfs/dbraw/zinc/50/76/50/1066507650.db2.gz CLTAXZYPZMIGNE-AJQTZOPKSA-N 0 0 643.781 4.832 50 0 KJAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(Cl)cn3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952863856 1066509873 /nfs/dbraw/zinc/50/98/73/1066509873.db2.gz VRDRCTAMIDMZCR-VMPREFPWSA-N 0 0 607.107 4.706 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3[nH]c(-c4ccccc4)nc3C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863984 1066509804 /nfs/dbraw/zinc/50/98/04/1066509804.db2.gz FGJNEZPAGHEBLH-KYJUHHDHSA-N 0 0 623.710 4.626 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3ccc4nc(C)sc4c3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864249 1066509941 /nfs/dbraw/zinc/50/99/41/1066509941.db2.gz MQIMSUMLNJVSPN-VMPREFPWSA-N 0 0 614.724 4.845 50 0 KJAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cnc(C)nc3-c3ccccc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864250 1066509958 /nfs/dbraw/zinc/50/99/58/1066509958.db2.gz JLJQGDUKBOEOEK-ACHIHNKUSA-N 0 0 635.721 4.693 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cnn(-c4ccccc4OC)c3)C[C@@H]1NC(=O)CC2 ZINC000952864348 1066509797 /nfs/dbraw/zinc/50/97/97/1066509797.db2.gz FPYAGKGSPLHRLJ-XTEPFMGCSA-N 0 0 582.657 4.544 50 0 KJAARN Cc1nc(CN2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)c[nH]1 ZINC000952864824 1066509999 /nfs/dbraw/zinc/50/99/99/1066509999.db2.gz MEEAEZHLIBFAJN-GDLZYMKVSA-N 0 0 510.594 4.876 50 0 KJAARN Cc1nc(C(C)C)sc1C(=O)N1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)CO3 ZINC000952865330 1066510041 /nfs/dbraw/zinc/51/00/41/1066510041.db2.gz PBLHIXBWHQWGFY-RUZDIDTESA-N 0 0 505.640 4.640 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cccc(Cl)c3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865582 1066509861 /nfs/dbraw/zinc/50/98/61/1066509861.db2.gz SDRZAZJSZOIORP-XZWHSSHBSA-N 0 0 650.172 4.868 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3sccc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865591 1066509885 /nfs/dbraw/zinc/50/98/85/1066509885.db2.gz SKARJSSUYNMGQG-WUFINQPMSA-N 0 0 635.783 4.585 50 0 KJAARN Cc1nc2ccsc2c(N2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)n1 ZINC000952865780 1066509973 /nfs/dbraw/zinc/50/99/73/1066509973.db2.gz STWRCYUYTLPLJD-URLMMPGGSA-N 0 0 613.740 4.995 50 0 KJAARN Cc1c2ccc(C)cc2oc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1 ZINC000952865816 1066510071 /nfs/dbraw/zinc/51/00/71/1066510071.db2.gz WKCCTUQBMIEAMC-NSOVKSMOSA-N 0 0 582.657 4.677 50 0 KJAARN O=C(c1ccc[nH]1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952865863 1066509773 /nfs/dbraw/zinc/50/97/73/1066509773.db2.gz XAERSXUFRWURJZ-NDEPHWFRSA-N 0 0 509.562 4.813 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc(-c4ccccc4)nn3C)C[C@@H]1NC(=O)CC2 ZINC000952866823 1066509983 /nfs/dbraw/zinc/50/99/83/1066509983.db2.gz FIXJJSIWLHUYIG-LMSSTIIKSA-N 0 0 566.658 4.750 50 0 KJAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3csc(C(C)C)c3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952867539 1066509758 /nfs/dbraw/zinc/50/97/58/1066509758.db2.gz OEQYFOBJPLSFAO-IZZNHLLZSA-N 0 0 561.704 4.974 50 0 KJAARN COCC1(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)CC1 ZINC000952867569 1066509920 /nfs/dbraw/zinc/50/99/20/1066509920.db2.gz PHOXNYSDPHDCHY-MUUNZHRXSA-N 0 0 528.605 4.598 50 0 KJAARN COCCc1ncc(CN2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)cn1 ZINC000952868181 1066509369 /nfs/dbraw/zinc/50/93/69/1066509369.db2.gz CPKXQSPHJGNKKN-JGCGQSQUSA-N 0 0 566.658 4.823 50 0 KJAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3cc(C(=O)N4CCCCC4)ccn3)C[C@@H]1NC(=O)CC2 ZINC000952868207 1066509338 /nfs/dbraw/zinc/50/93/38/1066509338.db2.gz FHSNMXCYMJAWEY-WUFINQPMSA-N 0 0 570.690 4.735 50 0 KJAARN CCOCCOc1ccccc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3OC)CCC(=O)N[C@H]2C1 ZINC000952869196 1066509501 /nfs/dbraw/zinc/50/95/01/1066509501.db2.gz YKKJCPLOZBZTPG-LMSSTIIKSA-N 0 0 574.674 4.765 50 0 KJAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc4cccc(F)c4n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952869809 1066509263 /nfs/dbraw/zinc/50/92/63/1066509263.db2.gz PNNSMUOWYNZOKC-IOWSJCHKSA-N 0 0 642.728 4.943 50 0 KJAARN O=C(c1ccc(C(=O)N2CCc3cc4ccc3[C@@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)cc1)N1CCOCC1 ZINC000952869978 1066509423 /nfs/dbraw/zinc/50/94/23/1066509423.db2.gz RXTVCDGNZLEKSS-UMSFTDKQSA-N 0 0 633.701 4.957 50 0 KJAARN O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000952876175 1066510053 /nfs/dbraw/zinc/51/00/53/1066510053.db2.gz DQQGPTPDZWEQGK-UHFFFAOYSA-N 0 0 509.653 4.627 50 0 KJAARN O=C(CSc1nc2ccccc2c(=O)n1NC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 ZINC000952963303 1066509845 /nfs/dbraw/zinc/50/98/45/1066509845.db2.gz GINZIKBKFHZYHA-UHFFFAOYSA-N 0 0 571.058 4.787 50 0 KJAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@H](C(=O)N(C)Cc2ccccn2)NC1=O ZINC000952974457 1066509829 /nfs/dbraw/zinc/50/98/29/1066509829.db2.gz UYBJBQQDYDKFJJ-LBFZIJHGSA-N 0 0 679.793 4.513 50 0 KJAARN O=c1c2ccccc2nc(NCCNc2nc3ccccc3c(=O)n2-c2ccccc2)n1-c1ccccc1 ZINC001505840592 1067172086 /nfs/dbraw/zinc/17/20/86/1067172086.db2.gz DTPLMXFZVWMJLG-UHFFFAOYSA-N 0 0 500.562 4.609 50 0 KJAARN