smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)C[C@@H](C[NH2+]C)[C@]2(O)CC[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492604 291930327 /nfs/dbraw/zinc/93/03/27/291930327.db2.gz AGKXCNAMBDRYHF-NNJVOXBISA-N 0 1 587.846 5.109 1 0 biogenic,in-vitro KKAFMN CN(c1ccc2c(c1)nc(NCc1ccccc1)n2C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000003817288 561683039 /nfs/dbraw/zinc/68/30/39/561683039.db2.gz CZJQMWBMEOMFJP-UHFFFAOYSA-N 0 1 527.654 5.032 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3cc4ccccc4nc3-c3ccccc3)cc2)CC1 ZINC000003819035 561683122 /nfs/dbraw/zinc/68/31/22/561683122.db2.gz CGWOEOXQHIMZEQ-UHFFFAOYSA-N 0 1 510.641 7.049 1 0 KKAFMN CC(C)Cc1nc(-c2ccc(CN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)c(-c2ccccc2)[nH]c1=O ZINC000003819037 561683158 /nfs/dbraw/zinc/68/31/58/561683158.db2.gz RPSREAHMBSYUSD-UHFFFAOYSA-N 0 1 533.676 5.783 1 0 KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4n(C)c3C(C)C)cc2)cc1OC ZINC000003922475 561685875 /nfs/dbraw/zinc/68/58/75/561685875.db2.gz OGLMUIRZIMTHMN-UHFFFAOYSA-N 0 1 564.748 6.095 1 0 KKAFMN Cn1nnc(-c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(n6c7ccccc7[nH]c6=O)CC5)cc4)nc3c2)n1 ZINC000003925818 561686607 /nfs/dbraw/zinc/68/66/07/561686607.db2.gz IJORQFLBQKXKHJ-UHFFFAOYSA-N 0 1 593.695 5.634 1 0 KKAFMN CNC(=O)c1cccc(NC(=O)Nc2cccc(C(C)=O)c2)c1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000003974016 561691798 /nfs/dbraw/zinc/69/17/98/561691798.db2.gz AYLIGBDQTHFVLJ-UHFFFAOYSA-N 0 1 516.617 5.487 1 0 KKAFMN O=C(CNc1c(Cl)cccc1Cl)Nc1ccc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2c1O ZINC000005838430 561699162 /nfs/dbraw/zinc/69/91/62/561699162.db2.gz AAHVZBOFTGNEMJ-HXUWFJFHSA-N 0 1 585.296 5.907 1 0 KKAFMN O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccccc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000013475794 561714711 /nfs/dbraw/zinc/71/47/11/561714711.db2.gz DHYQOPHLANBZCR-UHFFFAOYSA-N 0 1 517.673 6.735 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCO2 ZINC000013489496 561715881 /nfs/dbraw/zinc/71/58/81/561715881.db2.gz UNEVEWKTGHFQJP-MUUNZHRXSA-N 0 1 517.416 5.352 1 0 KKAFMN Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CC2 ZINC000013489487 561715908 /nfs/dbraw/zinc/71/59/08/561715908.db2.gz WJLNAPDUWBBQHL-NDEPHWFRSA-N 0 1 501.417 5.516 1 0 KKAFMN CCC[C@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761694 561728041 /nfs/dbraw/zinc/72/80/41/561728041.db2.gz QMJIUGVUFJPDBZ-JOCHJYFZSA-N 0 1 516.059 6.391 1 0 KKAFMN O=C([O-])C1C[NH+](Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1 ZINC000013586604 561720544 /nfs/dbraw/zinc/72/05/44/561720544.db2.gz ZGGLMGHJHZWEKX-UHFFFAOYSA-N 0 1 515.475 6.548 1 0 KKAFMN CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744229 561726624 /nfs/dbraw/zinc/72/66/24/561726624.db2.gz QHGHGSBEVNMIQN-VWLOTQADSA-N 0 1 524.658 5.790 1 0 KKAFMN CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1 ZINC000013756578 561727270 /nfs/dbraw/zinc/72/72/70/561727270.db2.gz KPHRDRFCGGZQJY-KPURRNSFSA-N 0 1 529.658 6.424 1 0 KKAFMN Cc1[nH]nc2ccc(CN3C(=O)N(Cc4cccc(N)c4)[C@H](Cc4ccccc4)[C@H](O)[C@H]3CCc3ccccc3)cc12 ZINC000014943323 561741354 /nfs/dbraw/zinc/74/13/54/561741354.db2.gz JSYUNEPXLBQPTN-CKOYEXALSA-N 0 1 559.714 5.865 1 0 KKAFMN CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C2CC2)c(=O)o1 ZINC000014943346 561741485 /nfs/dbraw/zinc/74/14/85/561741485.db2.gz VEXRXPAIHVICKW-RCRUUEGKSA-N 0 1 559.684 6.433 1 0 KKAFMN CC[C@@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C2CC2)c(=O)o1 ZINC000014943347 561741510 /nfs/dbraw/zinc/74/15/10/561741510.db2.gz VEXRXPAIHVICKW-SMSORMJASA-N 0 1 559.684 6.433 1 0 KKAFMN Cc1cccc(C)c1S(=O)(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000014943424 561741674 /nfs/dbraw/zinc/74/16/74/561741674.db2.gz IGPFSCHANMGPFR-RUZDIDTESA-N 0 1 507.652 5.964 1 0 KKAFMN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3C[C@H](C)O[C@@H](C)C3)c3ccccc23)cc1 ZINC000014956572 561747694 /nfs/dbraw/zinc/74/76/94/561747694.db2.gz VZZXGCGHBAJFIX-ZEQRLZLVSA-N 0 1 555.723 6.763 1 0 KKAFMN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOC2=N)c1Cl ZINC000014963156 561748990 /nfs/dbraw/zinc/74/89/90/561748990.db2.gz BZYDTWAKORLHJZ-UHFFFAOYSA-N 0 1 554.843 5.383 1 0 KKAFMN COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cn3)cc2[nH]1 ZINC000014965531 561749633 /nfs/dbraw/zinc/74/96/33/561749633.db2.gz VSMMGESTZLCGTL-UHFFFAOYSA-N 0 1 504.400 5.730 1 0 KKAFMN CC(=O)Nc1nc2c(cccc2Oc2cc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncn2)s1 ZINC000014974180 561751966 /nfs/dbraw/zinc/75/19/66/561751966.db2.gz CQFSJGBTAKTFEK-UHFFFAOYSA-N 0 1 536.661 5.749 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952952 561761186 /nfs/dbraw/zinc/76/11/86/561761186.db2.gz OOZMZKSKADJYMS-UHFFFAOYSA-N 0 1 607.633 5.407 3 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4csc(-c5ccncc5)n4)c3)cc2C(F)(F)F)CC1 ZINC000022952970 561761268 /nfs/dbraw/zinc/76/12/68/561761268.db2.gz QQDNLIYHAPTPTP-UHFFFAOYSA-N 0 1 608.690 6.174 3 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 ZINC000025421631 561762715 /nfs/dbraw/zinc/76/27/15/561762715.db2.gz ZLVDGVNOJUFGPG-NDEPHWFRSA-N 0 1 592.693 5.817 1 0 KKAFMN O=S(=O)(c1cc(Cl)ccc1Cl)N1Cc2ccccc2N(Cc2cnc[nH]2)[C@@H](CCc2ccccc2)C1 ZINC000025980816 561763840 /nfs/dbraw/zinc/76/38/40/561763840.db2.gz YAXSUZMCTBTSBP-DEOSSOPVSA-N 0 1 541.504 5.929 1 0 KKAFMN COc1cc(OC2CCN([C@H](C)c3cccnc3)CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000026248423 561773594 /nfs/dbraw/zinc/77/35/94/561773594.db2.gz KCFRZWANFUYIQH-HSZRJFAPSA-N 0 1 570.690 5.456 1 0 KKAFMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccc(Cl)cc1 ZINC000026265292 561776211 /nfs/dbraw/zinc/77/62/11/561776211.db2.gz LRODZLSUDNSCCO-KYJUHHDHSA-N 0 1 592.180 6.048 1 0 KKAFMN COc1ccc(-c2nc3n(c2CN(C)CCc2ccccc2F)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026271556 561777291 /nfs/dbraw/zinc/77/72/91/561777291.db2.gz YJVWVLHCKCROFB-UHFFFAOYSA-N 0 1 648.710 6.877 1 0 KKAFMN CCOC(=O)C1C(=CS(=O)(=O)c2ccccc2Cl)N=C(C)C(C(=O)OC)[C@@H]1c1ccccc1C(F)(F)F ZINC000026377779 561782540 /nfs/dbraw/zinc/78/25/40/561782540.db2.gz RBGZQNCKRAGWBQ-WZFMIUBLSA-N 0 1 557.974 5.624 1 0 KKAFMN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](c1ccc(C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026380776 561783333 /nfs/dbraw/zinc/78/33/33/561783333.db2.gz SDEVCNUHBOAEOK-MENXEMIHSA-N 0 1 727.799 6.196 1 0 KKAFMN CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OS(=O)(=O)c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 ZINC000026569690 561797760 /nfs/dbraw/zinc/79/77/60/561797760.db2.gz PFQYGPGTYBSKIC-UHFFFAOYSA-N 0 1 716.473 9.185 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc21 ZINC000026578543 561803538 /nfs/dbraw/zinc/80/35/38/561803538.db2.gz UNJRWDQWFXSFPO-DMSFNOBKSA-N 0 1 641.686 7.096 1 0 KKAFMN CC(C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1 ZINC000026647877 561807813 /nfs/dbraw/zinc/80/78/13/561807813.db2.gz IVZYLLYCOZPHPG-HSZRJFAPSA-N 0 1 526.424 6.098 1 0 KKAFMN O=S(=O)(c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)N(CCc1ccccc1F)Cc1cnc[nH]1 ZINC000026657100 561809560 /nfs/dbraw/zinc/80/95/60/561809560.db2.gz DDUFWAMELUODIZ-UHFFFAOYSA-N 0 1 588.536 5.616 1 0 KKAFMN O=c1[n-]c(C[N@H+]2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)n[nH]1 ZINC000026738609 561817724 /nfs/dbraw/zinc/81/77/24/561817724.db2.gz ZUWHBRRBKKTMQO-ICSRJNTNSA-N 0 1 500.443 5.470 1 0 KKAFMN O=c1[n-]c(C[N@@H+]2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)n[nH]1 ZINC000026738609 561817725 /nfs/dbraw/zinc/81/77/25/561817725.db2.gz ZUWHBRRBKKTMQO-ICSRJNTNSA-N 0 1 500.443 5.470 1 0 KKAFMN C=C1N=C(C)C(C(=O)OCC)[C@H](c2c(CCc3ccccc3)onc2-c2ccccc2)C1C(=O)OCC ZINC000026841043 561825912 /nfs/dbraw/zinc/82/59/12/561825912.db2.gz HMVLNQGQWYEOQC-KOUYFHPOSA-N 0 1 500.595 6.328 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)O2 ZINC000026964833 561829909 /nfs/dbraw/zinc/82/99/09/561829909.db2.gz GQGOLCRNYNRGTM-AHWNHTMQSA-N 0 1 612.792 7.142 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)O2 ZINC000026964833 561829911 /nfs/dbraw/zinc/82/99/11/561829911.db2.gz GQGOLCRNYNRGTM-AHWNHTMQSA-N 0 1 612.792 7.142 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000026964869 561829968 /nfs/dbraw/zinc/82/99/68/561829968.db2.gz NSEGOJXLVQTIAC-IVHROCDYSA-N 0 1 614.808 6.712 1 0 KKAFMN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1 ZINC000026967744 561830013 /nfs/dbraw/zinc/83/00/13/561830013.db2.gz NQZHGOYXVGZNDV-VWLOTQADSA-N 0 1 594.030 6.452 1 0 KKAFMN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1 ZINC000026967735 561830064 /nfs/dbraw/zinc/83/00/64/561830064.db2.gz NQZHGOYXVGZNDV-RUZDIDTESA-N 0 1 594.030 6.452 1 0 KKAFMN CCc1nc(Cc2ccccc2)sc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027075471 561834103 /nfs/dbraw/zinc/83/41/03/561834103.db2.gz HDJFNWIPUIQENQ-QTKNLHBISA-N 0 1 589.821 6.974 1 0 KKAFMN CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027075471 561834105 /nfs/dbraw/zinc/83/41/05/561834105.db2.gz HDJFNWIPUIQENQ-QTKNLHBISA-N 0 1 589.821 6.974 1 0 KKAFMN CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027075471 561834107 /nfs/dbraw/zinc/83/41/07/561834107.db2.gz HDJFNWIPUIQENQ-QTKNLHBISA-N 0 1 589.821 6.974 1 0 KKAFMN C[C@H](C[C@H](CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027179906 561841624 /nfs/dbraw/zinc/84/16/24/561841624.db2.gz ONTDQIVDLLQOGA-OFSOJUDTSA-N 0 1 519.751 6.263 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000027194852 561844041 /nfs/dbraw/zinc/84/40/41/561844041.db2.gz HFWWOBMAMIJJEP-OSCFFGAZSA-N 0 1 544.648 5.169 1 0 KKAFMN COCCOc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1 ZINC000027194878 561844055 /nfs/dbraw/zinc/84/40/55/561844055.db2.gz WOQBGOSNHKHPRH-XFDURZHPSA-N 0 1 588.701 5.185 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)NC(c2ccccc2C)c2ccccc2C)cc1 ZINC000027197719 561844672 /nfs/dbraw/zinc/84/46/72/561844672.db2.gz JYYUWMLSDGSJDK-DMOWINQSSA-N 0 1 592.692 5.788 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000027199159 561844775 /nfs/dbraw/zinc/84/47/75/561844775.db2.gz WYLRXEBBERTKHN-VDIWUUCDSA-N 0 1 578.665 5.479 1 0 KKAFMN CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)CCc2ccccn2)c(=O)c(C(=O)NC2CCCCC2)cn3Cc2ccccc2F)cc1 ZINC000027326121 561853582 /nfs/dbraw/zinc/85/35/82/561853582.db2.gz DLRXDIPMXJSRQO-UHFFFAOYSA-N 0 1 676.837 6.826 1 0 KKAFMN Cc1cc(I)cc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546620 561866891 /nfs/dbraw/zinc/86/68/91/561866891.db2.gz LLUKLOGVWWPZKG-WUFINQPMSA-N 0 1 523.458 6.411 1 0 KKAFMN Cc1cc(I)cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546616 561866904 /nfs/dbraw/zinc/86/69/04/561866904.db2.gz LLUKLOGVWWPZKG-IZLXSDGUSA-N 0 1 523.458 6.411 1 0 KKAFMN CC(=O)NC1(c2ccccc2)CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027621308 561872503 /nfs/dbraw/zinc/87/25/03/561872503.db2.gz ASSBEMCEDOONKS-JGCGQSQUSA-N 0 1 597.631 5.465 1 0 KKAFMN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)N)c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(C)C)c1 ZINC000027630998 561873793 /nfs/dbraw/zinc/87/37/93/561873793.db2.gz AAQGLVFLWHWSKW-MGBGTMOVSA-N 0 1 677.912 5.343 1 0 KKAFMN C[C@H](CCN1CCC(C)CC1)[C@H](C)S(=O)(=O)c1cc(Br)c(Br)cc1-c1cccs1 ZINC000027646489 561875945 /nfs/dbraw/zinc/87/59/45/561875945.db2.gz YGWIZVNCKBJGHU-SJORKVTESA-N 0 1 563.421 6.860 1 0 KKAFMN CN1CCN(Cc2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 ZINC000027871516 561888347 /nfs/dbraw/zinc/88/83/47/561888347.db2.gz MJUUSDJPFULYNQ-UHFFFAOYSA-N 0 1 630.192 7.017 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016766 561897538 /nfs/dbraw/zinc/89/75/38/561897538.db2.gz RAYOIOHGOVQFJQ-XQJICNLXSA-N 0 1 574.785 6.336 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016766 561897540 /nfs/dbraw/zinc/89/75/40/561897540.db2.gz RAYOIOHGOVQFJQ-XQJICNLXSA-N 0 1 574.785 6.336 1 0 KKAFMN Cc1cc(OCc2ccc(C(C)(C)C)cc2)cc(C)c1C[C@@H](N)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000028002428 561894975 /nfs/dbraw/zinc/89/49/75/561894975.db2.gz FOEBZCFJODUQDF-OOWIMERYSA-N 0 1 543.752 5.303 1 0 KKAFMN CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013334 561896741 /nfs/dbraw/zinc/89/67/41/561896741.db2.gz FMXSKMJVOKFBNU-IUGUYLHOSA-N 0 1 582.711 5.915 1 0 KKAFMN CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013334 561896743 /nfs/dbraw/zinc/89/67/43/561896743.db2.gz FMXSKMJVOKFBNU-IUGUYLHOSA-N 0 1 582.711 5.915 1 0 KKAFMN CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086869 561899266 /nfs/dbraw/zinc/89/92/66/561899266.db2.gz NUGQFYBHPBBTJL-HMQVCXRFSA-N 0 1 618.838 6.814 1 0 KKAFMN CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086869 561899268 /nfs/dbraw/zinc/89/92/68/561899268.db2.gz NUGQFYBHPBBTJL-HMQVCXRFSA-N 0 1 618.838 6.814 1 0 KKAFMN CSCC[C@H](NC(=O)c1ccc(C[N@@H+](CCC2CCCCC2)Cc2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000028106180 561902360 /nfs/dbraw/zinc/90/23/60/561902360.db2.gz YSALBQMSZGKSOB-XIFFEERXSA-N 0 1 572.815 7.571 1 0 KKAFMN CCCCn1c2ccccc2n(C2CCN(C[C@H](O)Cn3nc(-c4ccc(Cl)c(C)c4)c4c3CCN(C(C)=O)C4)CC2)c1=O ZINC000028127752 561905285 /nfs/dbraw/zinc/90/52/85/561905285.db2.gz ATZFNPDRRIDACJ-MHZLTWQESA-N 0 1 619.210 5.031 1 0 KKAFMN COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccc(OC)cc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028248321 561910872 /nfs/dbraw/zinc/91/08/72/561910872.db2.gz DVRDBLNROJDZCT-UHFFFAOYSA-N 0 1 639.724 6.857 1 0 KKAFMN COc1cccc(-n2c(=O)c3c(CN(C)Cc4ccccc4)c(-c4ccc(N)cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028238286 561910032 /nfs/dbraw/zinc/91/00/32/561910032.db2.gz JHYVSULGTMMINX-UHFFFAOYSA-N 0 1 624.713 6.430 1 0 KKAFMN O=C([O-])C[C@H](c1ccc(-c2ccccc2)cc1)n1ccc2cc(OCCc3ccc4c([nH+]3)NCCC4)ccc21 ZINC000028467574 561926494 /nfs/dbraw/zinc/92/64/94/561926494.db2.gz XRZOOOHYYLVTTI-WJOKGBTCSA-N 0 1 517.629 6.747 1 0 KKAFMN O=C([O-])[C@H]1CCCC[N@H+]1CCC=C(c1sccc1COc1cccc2ccccc21)c1sccc1COc1cccc2ccccc21 ZINC000028565911 561936258 /nfs/dbraw/zinc/93/62/58/561936258.db2.gz VZXUYQIMQRZAFU-PGUFJCEWSA-N 0 1 659.873 10.035 1 0 KKAFMN CC(C)(C)c1nc(N2CCN(CCCCN3c4ccccc4CCCC3=O)CC2)cc(C(F)(F)F)n1 ZINC000028568398 561937270 /nfs/dbraw/zinc/93/72/70/561937270.db2.gz GTZSQZPMHIHCCP-UHFFFAOYSA-N 0 1 503.613 5.065 1 0 KKAFMN C[C@@H]1C[N@H+]([C@H](c2ccc3c(c2)CN(C(=O)c2ccccc2C(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570400 561938763 /nfs/dbraw/zinc/93/87/63/561938763.db2.gz WHLHPAOIEWMCRA-ISVMRZDUSA-N 0 1 575.709 5.931 1 0 KKAFMN C[C@@H]1C[N@@H+]([C@H](c2ccc3c(c2)CN(C(=O)c2ccccc2C(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570400 561938765 /nfs/dbraw/zinc/93/87/65/561938765.db2.gz WHLHPAOIEWMCRA-ISVMRZDUSA-N 0 1 575.709 5.931 1 0 KKAFMN CCc1cc(Nc2cc(=O)n(CCCC[NH+]3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5-c4ccc(F)cc4)CC3)c(=O)[nH]2)ccc1C ZINC000028570871 561939167 /nfs/dbraw/zinc/93/91/67/561939167.db2.gz PXGPMQZETUARJW-UHFFFAOYSA-N 0 1 684.744 5.034 1 0 KKAFMN CC(=O)c1sc(NC(=O)N2CN(C(=O)OC(C)(C)C)C[C@H]2CN2CCC(Cc3ccc(F)cc3)CC2)nc1C ZINC000028821849 561966600 /nfs/dbraw/zinc/96/66/00/561966600.db2.gz QJHFMHUMMDKHPX-HSZRJFAPSA-N 0 1 559.708 5.159 1 0 KKAFMN COc1ccccc1C(c1ccccc1OC)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000028869882 561973817 /nfs/dbraw/zinc/97/38/17/561973817.db2.gz XOGVSNDTSKOGBY-UHFFFAOYSA-N 0 1 543.733 5.836 1 0 KKAFMN COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](N)Cc3ccccc3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870528 561974026 /nfs/dbraw/zinc/97/40/26/561974026.db2.gz ZPQUPYAMVNDHEC-WTMUYZGOSA-N 0 1 600.767 5.152 1 0 KKAFMN CC(C)N1CCN(C(=O)OC2([C@H]3CCC[C@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879683 561976527 /nfs/dbraw/zinc/97/65/27/561976527.db2.gz QRUVSTZLYGAOFS-CLJLJLNGSA-N 0 1 582.113 5.598 1 0 KKAFMN COc1ccc(-c2ccc(CN(CC(=O)C(C)(C)O)C(=O)NC3CCN(Cc4ccc(C)cc4)CC3)cc2)cc1 ZINC000028874137 561975122 /nfs/dbraw/zinc/97/51/22/561975122.db2.gz ZGUUVRMNMNGPEG-UHFFFAOYSA-N 0 1 543.708 5.187 1 0 KKAFMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887157 561977698 /nfs/dbraw/zinc/97/76/98/561977698.db2.gz WNSCAPMZDVVSEC-NDEPHWFRSA-N 0 1 576.484 5.946 1 0 KKAFMN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2C(F)(F)F)CC1 ZINC000028895561 561978948 /nfs/dbraw/zinc/97/89/48/561978948.db2.gz HIDQMHARIWWAIP-NDEPHWFRSA-N 0 1 608.126 5.831 1 0 KKAFMN C[C@H]1C[N@@H+](CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000029126387 561998700 /nfs/dbraw/zinc/99/87/00/561998700.db2.gz RMXKGIPQCLKWKR-MWYIXNDJSA-N 0 1 549.111 5.760 1 0 KKAFMN Cc1noc2cc3c(cc12)CCN(CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3 ZINC000029126946 561999259 /nfs/dbraw/zinc/99/92/59/561999259.db2.gz FLIIXHVRMXEDPQ-UHFFFAOYSA-N 0 1 501.578 5.534 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCC[C@@H](C)N3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029126991 561999278 /nfs/dbraw/zinc/99/92/78/561999278.db2.gz ILAPINSYTQOSTH-GOSISDBHSA-N 0 1 580.680 6.779 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(C6CC6)oc5cc4CC3)n2C)n1 ZINC000029127470 561999956 /nfs/dbraw/zinc/99/99/56/561999956.db2.gz YHBNNSZPKVUPMG-UHFFFAOYSA-N 0 1 524.694 5.940 1 0 KKAFMN CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)o1 ZINC000029326470 562013537 /nfs/dbraw/zinc/01/35/37/562013537.db2.gz YLXXVTQNENXHGV-NDEPHWFRSA-N 0 1 562.736 5.772 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 ZINC000029330403 562013743 /nfs/dbraw/zinc/01/37/43/562013743.db2.gz ODSUJAILIUEJIU-NDEPHWFRSA-N 0 1 608.642 5.411 1 0 KKAFMN CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C ZINC000029347220 562016446 /nfs/dbraw/zinc/01/64/46/562016446.db2.gz HMHDZBAQEVCMQF-QNRWOPMTSA-N 0 1 621.823 5.054 1 0 KKAFMN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000034663726 562039534 /nfs/dbraw/zinc/03/95/34/562039534.db2.gz UBOSWZVKFNAYOS-LJAQVGFWSA-N 0 1 517.714 5.911 1 0 KKAFMN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 ZINC000036126695 562047624 /nfs/dbraw/zinc/04/76/24/562047624.db2.gz OEUKDGTYEZUHLE-KYJUHHDHSA-N 0 1 513.657 5.175 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000036177570 562049468 /nfs/dbraw/zinc/04/94/68/562049468.db2.gz BZFQFRBZDAJNFS-UXBLZVDNSA-N 0 1 572.364 6.840 1 0 KKAFMN COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1 ZINC000036215318 562051125 /nfs/dbraw/zinc/05/11/25/562051125.db2.gz OWMILJDHSTVDQS-UHFFFAOYSA-N 0 1 532.128 5.565 1 0 KKAFMN CC(=O)N1CCC(C(=O)N(CCCN2CCC([S@@](=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156574 562068416 /nfs/dbraw/zinc/06/84/16/562068416.db2.gz MIEWISRGDFUMGE-KXQOOQHDSA-N 0 1 582.569 5.386 1 0 KKAFMN CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccc(F)cc3)CC2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000038157237 562068609 /nfs/dbraw/zinc/06/86/09/562068609.db2.gz OTTAZZYTYCBVQV-NPJIAGGLSA-N 0 1 593.643 6.943 1 0 KKAFMN FC(F)(F)c1cc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c(-c2cc3ccccc3s2)c1 ZINC000038157640 562069237 /nfs/dbraw/zinc/06/92/37/562069237.db2.gz AQFJEFUFERVZLJ-UHFFFAOYSA-N 0 1 547.528 7.204 1 0 KKAFMN COc1cc(CCC(O)=CC(=O)CCCC2CCCCC2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631453 560067996 /nfs/dbraw/zinc/06/79/96/560067996.db2.gz ZREWHKULNLLEKY-JUKUECOXSA-N 0 1 598.764 6.084 1 0 biogenic,in-vitro KKAFMN COc1ccc2c(c1)c1c(n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CC[N@@H+](CCC(=O)[O-])C1 ZINC000043063637 562645298 /nfs/dbraw/zinc/64/52/98/562645298.db2.gz JUPXEQCJDWAVKT-WEVVVXLNSA-N 0 1 552.074 6.903 1 0 KKAFMN COc1ccc2c(c1)c1c(n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CC[N@H+](CCC(=O)[O-])C1 ZINC000043063637 562645299 /nfs/dbraw/zinc/64/52/99/562645299.db2.gz JUPXEQCJDWAVKT-WEVVVXLNSA-N 0 1 552.074 6.903 1 0 KKAFMN O=C([O-])CCC[N@H+]1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043069944 562645511 /nfs/dbraw/zinc/64/55/11/562645511.db2.gz LGRLMXKAPOROQF-GXDHUFHOSA-N 0 1 536.075 7.285 1 0 KKAFMN CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000043170088 562646476 /nfs/dbraw/zinc/64/64/76/562646476.db2.gz HBSAGEADSOENTM-BHVANESWSA-N 0 1 631.712 5.171 1 0 KKAFMN COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cc(C)ccc4OC)c3)C2)cc1OC1CCCC1 ZINC000044052513 562651784 /nfs/dbraw/zinc/65/17/84/562651784.db2.gz ABPCPPLTQHSSRR-QFIPXVFZSA-N 0 1 550.677 5.655 1 0 KKAFMN CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000044351460 562654707 /nfs/dbraw/zinc/65/47/07/562654707.db2.gz MRMMGDLQIQYRDA-QCTAZPTNSA-N 0 1 590.798 5.610 1 0 KKAFMN O=C(NC[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045169110 562658240 /nfs/dbraw/zinc/65/82/40/562658240.db2.gz QHRVZLGUVNELPH-KRWDZBQOSA-N 0 1 512.519 6.705 1 0 KKAFMN C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045193394 562658726 /nfs/dbraw/zinc/65/87/26/562658726.db2.gz RDDYDQSLYYZKIB-KRWDZBQOSA-N 0 1 520.555 6.549 1 0 KKAFMN COc1cc(C)ccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000045193281 562658731 /nfs/dbraw/zinc/65/87/31/562658731.db2.gz PMUOTAGCFAWKRS-UHFFFAOYSA-N 0 1 535.088 5.242 1 0 KKAFMN CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)cn1 ZINC000045194513 562658835 /nfs/dbraw/zinc/65/88/35/562658835.db2.gz QKEMLLMNWCZKQW-UHFFFAOYSA-N 0 1 515.495 6.521 1 0 KKAFMN O=C(Cc1ccc(Nc2nccc(Nc3cccc4[nH]ncc43)n2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000045228864 562659530 /nfs/dbraw/zinc/65/95/30/562659530.db2.gz SEOKKQHXOQKAFV-UHFFFAOYSA-N 0 1 503.488 6.040 1 0 KKAFMN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cccc(C)c4[nH]3)s2)CC1 ZINC000045230945 562659666 /nfs/dbraw/zinc/65/96/66/562659666.db2.gz XJCZARMYTKDJJJ-UHFFFAOYSA-N 0 1 524.090 5.204 1 0 KKAFMN C[C@H](CCCCCC[C@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3)C(=O)[O-] ZINC000045245918 562659780 /nfs/dbraw/zinc/65/97/80/562659780.db2.gz COZHNMYHYJDWAU-NEXURCHDSA-N 0 1 523.758 7.148 1 0 KKAFMN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Nc3ccnc4ccc(N)cc43)c2)cc1 ZINC000045259200 562659977 /nfs/dbraw/zinc/65/99/77/562659977.db2.gz VOLXCNVOKHMTKN-UHFFFAOYSA-N 0 1 505.626 6.996 1 0 in-vitro KKAFMN CC(C)CC[C@H](c1ncc(C(F)(F)F)cn1)[N@@H+]1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045367555 562662128 /nfs/dbraw/zinc/66/21/28/562662128.db2.gz WDQIDLLGHLCCGM-HBGVWJBISA-N 0 1 517.514 6.920 1 0 KKAFMN CC(C)CC[C@H](c1ncc(C(F)(F)F)cn1)[N@H+]1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045367555 562662129 /nfs/dbraw/zinc/66/21/29/562662129.db2.gz WDQIDLLGHLCCGM-HBGVWJBISA-N 0 1 517.514 6.920 1 0 KKAFMN CC(C)CC[C@H](c1ccc(C(F)(F)F)nn1)[N@H+]1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045392130 562662542 /nfs/dbraw/zinc/66/25/42/562662542.db2.gz NFHKXFADWULKHK-HBGVWJBISA-N 0 1 517.514 6.920 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(Cl)c(Cl)c4)C3)n2C)n1 ZINC000049033715 562663461 /nfs/dbraw/zinc/66/34/61/562663461.db2.gz URICTYNITRPTLS-UZTOHYMASA-N 0 1 524.521 6.401 1 0 KKAFMN CCCN(Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccc(Cl)cc1 ZINC000049045570 562663644 /nfs/dbraw/zinc/66/36/44/562663644.db2.gz GNMRPRCSBHLFTD-UHFFFAOYSA-N 0 1 523.430 7.788 1 0 KKAFMN C[C@H](Nc1cc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3ccccc3c2)ccn1)c1ccccc1 ZINC000049114490 562664717 /nfs/dbraw/zinc/66/47/17/562664717.db2.gz VIRXXMFAHIWTKJ-QFIPXVFZSA-N 0 1 511.622 6.943 1 0 KKAFMN CC(=O)N(C)c1cccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)c1 ZINC000049605035 562665239 /nfs/dbraw/zinc/66/52/39/562665239.db2.gz NUQGGQZAMFXJNS-UHFFFAOYSA-N 0 1 528.534 7.151 1 0 KKAFMN CS(=O)(=O)c1ccccc1CNC(=O)c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000049605229 562665602 /nfs/dbraw/zinc/66/56/02/562665602.db2.gz RBXRAQXNFBEEPK-UHFFFAOYSA-N 0 1 549.574 6.249 1 0 KKAFMN NC(=O)c1ccc(NCC(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)cc1 ZINC000049626201 562667059 /nfs/dbraw/zinc/66/70/59/562667059.db2.gz TWURUASPFRSNHY-UHFFFAOYSA-N 0 1 529.522 6.065 1 0 KKAFMN CCOc1cc(C(C)C)ccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049626153 562667075 /nfs/dbraw/zinc/66/70/75/562667075.db2.gz WBOCJAXKIUZHHM-UHFFFAOYSA-N 0 1 577.169 6.447 1 0 KKAFMN CCOc1cc(C)ccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049626788 562667352 /nfs/dbraw/zinc/66/73/52/562667352.db2.gz LWXAHYBVENAXMF-UHFFFAOYSA-N 0 1 549.115 5.632 1 0 KKAFMN O=C(Nc1ccc(C(=O)N2CCN(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000049626989 562667466 /nfs/dbraw/zinc/66/74/66/562667466.db2.gz RYOWOQJZHJTYQC-UHFFFAOYSA-N 0 1 633.637 5.557 1 0 KKAFMN CC(C)CN1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049678971 562668711 /nfs/dbraw/zinc/66/87/11/562668711.db2.gz NHTDUDJODVJSJH-IADCTJSHSA-N 0 1 548.695 5.643 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1OCC=C(C)C ZINC000049694815 562669805 /nfs/dbraw/zinc/66/98/05/562669805.db2.gz IFEIUFUMDATZMQ-BFGHFXMOSA-N 0 1 616.663 6.443 1 0 KKAFMN Nc1nc2c(ccnc2-c2[nH]c(Br)c(CCc3cccc(C(F)(F)F)c3)c2Br)[nH]1 ZINC000049695286 562670357 /nfs/dbraw/zinc/67/03/57/562670357.db2.gz FSGCPVDDFQOOHT-UHFFFAOYSA-N 0 1 529.158 5.864 1 0 KKAFMN C[C@@H]1CN(c2ncc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000049695344 562670447 /nfs/dbraw/zinc/67/04/47/562670447.db2.gz LENKUUPXOOPDDB-HXUWFJFHSA-N 0 1 621.440 6.800 1 0 KKAFMN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049723092 562672906 /nfs/dbraw/zinc/67/29/06/562672906.db2.gz LWUVOPFFGHOXHU-UHFFFAOYSA-N 0 1 607.413 6.663 1 0 KKAFMN CC(C)(C)OC(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000049766919 562677253 /nfs/dbraw/zinc/67/72/53/562677253.db2.gz LAYRJSCDMHXVHX-DFBJGRDBSA-N 0 1 538.947 7.157 1 0 KKAFMN CCOc1ccc(-n2c(=O)c3ccccc3nc2[C@@H](C)N(Cc2cccnc2)C(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000049768041 562677803 /nfs/dbraw/zinc/67/78/03/562677803.db2.gz FDELMZGVMWNEIA-OAQYLSRUSA-N 0 1 626.639 6.407 1 0 KKAFMN CN1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)c5ccc(C(F)(F)F)cc5)cc3)c4N)cc2)CC1 ZINC000049777126 562679707 /nfs/dbraw/zinc/67/97/07/562679707.db2.gz FIENVLBRUWEWDS-UHFFFAOYSA-N 0 1 571.607 5.668 1 0 KKAFMN Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049777737 562680458 /nfs/dbraw/zinc/68/04/58/562680458.db2.gz LWTKJTIPCMXHIH-GBXCKJPGSA-N 0 1 579.101 5.129 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049777943 562680697 /nfs/dbraw/zinc/68/06/97/562680697.db2.gz WAXDXILODHFGIE-UXBLZVDNSA-N 0 1 605.916 7.205 1 0 KKAFMN NC(=O)c1ccccc1OCC(=O)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000049777916 562680702 /nfs/dbraw/zinc/68/07/02/562680702.db2.gz RPQRJNXLAHGQOK-UHFFFAOYSA-N 0 1 530.506 6.032 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)N(C(=O)C[C@H](O)C(=O)[O-])C3=O)cc1)C(C)(C)O2 ZINC000049808123 562686574 /nfs/dbraw/zinc/68/65/74/562686574.db2.gz CZUZIIWEVGGHME-BNAYGLTLSA-N 0 1 730.880 5.958 1 0 KKAFMN O=C(N[C@H]1CCN(Cc2ccc(OCCN3CCCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049867437 562689497 /nfs/dbraw/zinc/68/94/97/562689497.db2.gz SZQLNXSQHMITIF-IBGZPJMESA-N 0 1 541.317 5.235 1 0 KKAFMN C[C@H]1CCCC[N@H+]1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049889377 562692038 /nfs/dbraw/zinc/69/20/38/562692038.db2.gz UQPGEMRGMILDTH-LJAQVGFWSA-N 0 1 714.328 7.588 1 0 KKAFMN O=S(=O)([N-]c1cc2c(cc1OCc1ccccc1)CC[N@H+](C1CCC1)CC2)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000049917626 562693703 /nfs/dbraw/zinc/69/37/03/562693703.db2.gz JCWHCVLCNGNGCC-UHFFFAOYSA-N 0 1 573.158 7.340 1 0 KKAFMN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2cccc(OC)c2)CC1 ZINC000049917844 562694042 /nfs/dbraw/zinc/69/40/42/562694042.db2.gz MCQIQEOGRLGUOC-YOEZECILSA-N 0 1 543.495 5.355 1 0 KKAFMN CC(=O)Nc1ncc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)s1 ZINC000049917963 562694209 /nfs/dbraw/zinc/69/42/09/562694209.db2.gz HBFKYELJFLIJAY-UHFFFAOYSA-N 0 1 521.524 6.583 1 0 KKAFMN CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)cc1 ZINC000049917969 562694257 /nfs/dbraw/zinc/69/42/57/562694257.db2.gz DLUFNTLZGDMTMS-UHFFFAOYSA-N 0 1 535.591 6.609 1 0 KKAFMN Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000053206605 562696503 /nfs/dbraw/zinc/69/65/03/562696503.db2.gz RTGBHFYSFQEMPE-UHFFFAOYSA-N 0 1 604.637 6.196 1 0 KKAFMN CCOc1cc(CN2CCC(NC(=O)c3ccc(Cl)nc3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000058511944 562698438 /nfs/dbraw/zinc/69/84/38/562698438.db2.gz XGRCTAUNWOLIAN-UHFFFAOYSA-N 0 1 512.025 5.733 1 0 KKAFMN CCCn1c(C)c(C(=O)NCCCN2CCN(c3cccc(Br)c3)CC2)cc1-c1ccccc1 ZINC000058538241 562698806 /nfs/dbraw/zinc/69/88/06/562698806.db2.gz WEARRJZMFZNKLA-UHFFFAOYSA-N 0 1 523.519 5.578 1 0 KKAFMN CCCn1c(C)c(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1-c1ccccc1 ZINC000058541388 562699021 /nfs/dbraw/zinc/69/90/21/562699021.db2.gz GZPRQCINUNVVEC-UHFFFAOYSA-N 0 1 512.620 5.834 1 0 KKAFMN CC[NH+](CC)CCCc1c(C=C2c3cc([N-]S(=O)(=O)c4ccccc4)ccc3NC2=O)[nH]c2c1C(=O)CCC2 ZINC000058568951 562699563 /nfs/dbraw/zinc/69/95/63/562699563.db2.gz BZDPNSHFCIPOPU-CLCOLTQESA-N 0 1 546.693 5.102 1 0 KKAFMN CCCCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=Nc1ccc(OCCCC)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033358 562701606 /nfs/dbraw/zinc/70/16/06/562701606.db2.gz JLMJSZDPFXZNPI-VWLOTQADSA-N 0 1 578.794 8.094 1 0 KKAFMN O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061905246 562703012 /nfs/dbraw/zinc/70/30/12/562703012.db2.gz SHDOWDKRLICSAH-VWLOTQADSA-N 0 1 518.872 6.038 3 0 KKAFMN O=C(N[C@@H](c1cccs1)c1ccc2ccccc2n1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061906325 562703041 /nfs/dbraw/zinc/70/30/41/562703041.db2.gz ZSEWTBNATVPXNT-AREMUKBSSA-N 0 1 509.597 6.433 3 0 KKAFMN CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(c5ccccc5)c5ccccc5)sc43)cc2)CC1 ZINC000064540998 562707826 /nfs/dbraw/zinc/70/78/26/562707826.db2.gz VQIGSXZPOJLZGU-UHFFFAOYSA-N 0 1 550.688 5.148 1 0 KKAFMN COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064559022 562708300 /nfs/dbraw/zinc/70/83/00/562708300.db2.gz KEKTVADTRWDTIX-PPYDQSFFSA-N 0 1 534.587 5.544 1 0 KKAFMN C[N@@H+](CCN1CCOCC1)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099867 562711140 /nfs/dbraw/zinc/71/11/40/562711140.db2.gz XIDPKKCVWSCHRR-XMMPIXPASA-N 0 1 517.670 5.079 1 0 KKAFMN CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)Cc3ccccc3)cc2)cc1 ZINC000066128623 562712743 /nfs/dbraw/zinc/71/27/43/562712743.db2.gz LDOHZDOHEXMHJA-UHFFFAOYSA-N 0 1 541.717 5.160 1 0 KKAFMN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066139028 562713380 /nfs/dbraw/zinc/71/33/80/562713380.db2.gz VFUMNYRTPAPJFI-RCUDDFTLSA-N 0 1 627.807 5.815 3 0 KKAFMN O=C(NCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000066167338 562714367 /nfs/dbraw/zinc/71/43/67/562714367.db2.gz GRGPYRFLZBQNID-UHFFFAOYSA-N 0 1 592.559 5.360 1 0 KKAFMN Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn32)cc1 ZINC000071329367 562718888 /nfs/dbraw/zinc/71/88/88/562718888.db2.gz XELXAFZQJMQQLE-UHFFFAOYSA-N 0 1 555.386 7.810 1 0 KKAFMN Cc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@H]2c1ccccc1C ZINC000071334647 562719645 /nfs/dbraw/zinc/71/96/45/562719645.db2.gz ALYJDRFVACLTCQ-JCXLJCJISA-N 0 1 537.063 6.731 1 0 KKAFMN COc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@@H]2c1ccccc1OC ZINC000071341230 562719945 /nfs/dbraw/zinc/71/99/45/562719945.db2.gz VHYNUZUMDXUILC-JXJSOSRJSA-N 0 1 569.061 6.132 1 0 KKAFMN CCCc1nc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccccc1Cl ZINC000072106802 562721114 /nfs/dbraw/zinc/72/11/14/562721114.db2.gz HGGJEDTUKGFYIN-UHFFFAOYSA-N 0 1 508.110 5.346 1 0 KKAFMN O=S(=O)([N-]c1ccc(C[C@H]2CC[C@@H]([C@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126802 562725428 /nfs/dbraw/zinc/72/54/28/562725428.db2.gz CVNUDPVQPWCUGZ-DQQHMPIDSA-N 0 1 649.760 7.693 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000072127997 562725978 /nfs/dbraw/zinc/72/59/78/562725978.db2.gz CGLNLVFPHXEQAP-RWYJCYHVSA-N 0 1 653.529 7.008 3 0 KKAFMN O=C(N[C@@H](c1cccnc1)c1ccc2c(c1)OCO2)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137566 562728327 /nfs/dbraw/zinc/72/83/27/562728327.db2.gz KJMXSWBTEKEAHU-AREMUKBSSA-N 0 1 528.436 5.114 3 0 KKAFMN CCN1Cc2c(cc3nc4n(-c5ccc(Cl)cc5)nc(C(=O)Nc5ccccc5)n4c(=O)c3c2-c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000072138014 562728593 /nfs/dbraw/zinc/72/85/93/562728593.db2.gz PCRGLWKHIPYWKY-JBASAIQMSA-N 0 1 691.235 8.599 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000072141035 562729260 /nfs/dbraw/zinc/72/92/60/562729260.db2.gz LELBVVXWCNYFBB-OSESMHQUSA-N 0 1 645.797 5.595 3 0 KKAFMN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C=CCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171080 562730469 /nfs/dbraw/zinc/73/04/69/562730469.db2.gz JGUWRDGVCUGGGI-DEOSSOPVSA-N 0 1 556.615 5.296 1 0 KKAFMN CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1 ZINC000072176538 562731648 /nfs/dbraw/zinc/73/16/48/562731648.db2.gz KJUCPVIVNLPLEE-UHFFFAOYSA-N 0 1 667.739 6.584 1 0 in-vitro KKAFMN O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000073167406 562734604 /nfs/dbraw/zinc/73/46/04/562734604.db2.gz UUGJQIZGOJTKRM-HKBQPEDESA-N 0 1 552.690 5.788 1 0 KKAFMN CCN1CC2=C(N=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000073311062 562737843 /nfs/dbraw/zinc/73/78/43/562737843.db2.gz GYGZRRGYBJLWRY-AXQPBCOJSA-N 0 1 592.979 6.595 1 0 KKAFMN COc1ccc2nc([C@@H](c3ccc(C)cc3)n3c4ccccc4nc3-c3ccccc3Br)[nH]c2c1 ZINC000073369738 562738405 /nfs/dbraw/zinc/73/84/05/562738405.db2.gz DAMJKVXRNRCOKA-HHHXNRCGSA-N 0 1 523.434 7.297 3 0 KKAFMN Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2Cl)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1 ZINC000082138002 562739109 /nfs/dbraw/zinc/73/91/09/562739109.db2.gz WMHUXCUGXVXAJP-UHFFFAOYSA-N 0 1 682.178 5.543 1 0 KKAFMN CCCOc1cccc2c1CN[C@H]([C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)([C@H](C)CC)C1=O)C2 ZINC000082139817 562739215 /nfs/dbraw/zinc/73/92/15/562739215.db2.gz UNHYCLXMUBLSOA-KPWKDLPLSA-N 0 1 718.886 5.011 1 0 KKAFMN CC(C)c1c(OC[C@@H](O)CN2CCN(c3ccnc4cc(Cl)ccc43)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082156655 562740776 /nfs/dbraw/zinc/74/07/76/562740776.db2.gz ZFYXFKAYIBXASB-NGUGRHTISA-N 0 1 590.252 7.604 1 0 KKAFMN CCN1CCN(C[C@H]2S[C@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165086 562741330 /nfs/dbraw/zinc/74/13/30/562741330.db2.gz QXSAFGQAHODVKD-QIKUIUABSA-N 0 1 726.307 5.764 1 0 KKAFMN CCN1CCN(C[C@H]2S[C@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165069 562741379 /nfs/dbraw/zinc/74/13/79/562741379.db2.gz YPTCVVCGFGDLDX-QIKUIUABSA-N 0 1 709.852 5.249 1 0 KKAFMN CC(C)(C)OC(=O)C1C(=O)NC(=O)C[C@@H]1C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000082178527 562741768 /nfs/dbraw/zinc/74/17/68/562741768.db2.gz PHSWOSLMXLTJGG-OFXSLFESSA-N 0 1 707.864 6.970 1 0 KKAFMN CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595519 562743626 /nfs/dbraw/zinc/74/36/26/562743626.db2.gz RXLHNEPWLCJVNN-HMQVCXRFSA-N 0 1 602.795 6.267 1 0 KKAFMN CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595519 562743627 /nfs/dbraw/zinc/74/36/27/562743627.db2.gz RXLHNEPWLCJVNN-HMQVCXRFSA-N 0 1 602.795 6.267 1 0 KKAFMN O=S(=O)(Nc1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1)c1ccccc1OC(F)(F)F ZINC000084597053 562743932 /nfs/dbraw/zinc/74/39/32/562743932.db2.gz GLYQXLOIPRHQDT-UHFFFAOYSA-N 0 1 554.472 6.605 1 0 KKAFMN COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c([C@@H](N)C(C)C)o2)c2ccc(C(F)(F)F)nc12 ZINC000084603385 562744119 /nfs/dbraw/zinc/74/41/19/562744119.db2.gz MQFZRKHRDFXZHY-FQEVSTJZSA-N 0 1 534.485 5.781 1 0 KKAFMN CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(-c3ccccc3)nnc2[C@H](Cc2n[nH]c3ccccc32)C1=O ZINC000084618347 562745052 /nfs/dbraw/zinc/74/50/52/562745052.db2.gz NQJDEFGZTFBIOH-NDEPHWFRSA-N 0 1 595.707 5.921 1 0 KKAFMN CCN1CCN(Cc2ccc(C(=O)Nc3cccc(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)c3)cc2C(F)(F)F)CC1 ZINC000084652630 562746602 /nfs/dbraw/zinc/74/66/02/562746602.db2.gz JNTWFZMEHYELDP-UHFFFAOYSA-N 0 1 590.650 5.987 1 0 KKAFMN COc1c(C(C)(C)C)cc(C(=O)N2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(C)(C)C ZINC000084668474 562747612 /nfs/dbraw/zinc/74/76/12/562747612.db2.gz DQYMRJZVWUVEHQ-UHFFFAOYSA-N 0 1 604.826 8.719 1 0 KKAFMN CN(CCNC(=O)CC(=O)NCCN(C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536811 562754176 /nfs/dbraw/zinc/75/41/76/562754176.db2.gz JTGUYKKQPOUVPJ-UHFFFAOYSA-N 0 1 777.713 5.302 1 0 KKAFMN Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538376 562754725 /nfs/dbraw/zinc/75/47/25/562754725.db2.gz PIXHQGLHFSYQEU-JSKSTBSASA-N 0 1 796.778 6.141 1 0 KKAFMN Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538491 562754856 /nfs/dbraw/zinc/75/48/56/562754856.db2.gz WRVGHUJUOPRDLV-UETQYXGNSA-N 0 1 768.724 5.360 1 0 KKAFMN COCCOCCOCCOc1cc2c(cc1OC)CC[N@@H+](CCc1ccc(NC(=O)c3ccc(C(=O)[O-])c(NC(=O)c4ccc5ncccc5c4)c3)cc1)C2 ZINC000095548767 562759459 /nfs/dbraw/zinc/75/94/59/562759459.db2.gz VLEZERHTRVZAQV-UHFFFAOYSA-N 0 1 762.860 6.105 1 0 KKAFMN O=c1cc(-c2ccc(OCCOCCN(CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3cccnc3)cc2)oc2ccccc12 ZINC000095555456 562761575 /nfs/dbraw/zinc/76/15/75/562761575.db2.gz GUZVHYKKPTUHCB-UHFFFAOYSA-N 0 1 724.810 7.622 1 0 KKAFMN CCCCc1sc(-c2ccc(OCCN3CCN(C)CC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095559986 562762958 /nfs/dbraw/zinc/76/29/58/562762958.db2.gz DCZWLAKNYOFZPT-UHFFFAOYSA-N 0 1 562.179 7.892 1 0 KKAFMN C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561170 562763298 /nfs/dbraw/zinc/76/32/98/562763298.db2.gz QCZYXTWOIPNMDB-DWXRJYCRSA-N 0 1 500.536 6.036 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095564646 562764411 /nfs/dbraw/zinc/76/44/11/562764411.db2.gz PKQAAOKAAVIVOG-JJJRTKIYSA-N 0 1 694.789 5.246 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567226 562765592 /nfs/dbraw/zinc/76/55/92/562765592.db2.gz AXRFBZDPAKRYDH-DEMOTUPJSA-N 0 1 735.753 8.718 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095567743 562766026 /nfs/dbraw/zinc/76/60/26/562766026.db2.gz WRONBNMQJZLSIV-RNDKRWLGSA-N 0 1 648.225 6.160 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095568531 562766735 /nfs/dbraw/zinc/76/67/35/562766735.db2.gz AZOGTZJHFHJISV-YGIZDMHFSA-N 0 1 629.779 5.632 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095568543 562766752 /nfs/dbraw/zinc/76/67/52/562766752.db2.gz CHFYKRHHVBHPRB-WGKZYHDKSA-N 0 1 685.693 7.565 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095568666 562766776 /nfs/dbraw/zinc/76/67/76/562766776.db2.gz HSYUUPPAKBJHIW-QWQFASRJSA-N 0 1 628.648 5.430 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095569166 562767260 /nfs/dbraw/zinc/76/72/60/562767260.db2.gz UIWHTZIAIXNFGN-USUMGCFOSA-N 0 1 718.880 6.249 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095569841 562767698 /nfs/dbraw/zinc/76/76/98/562767698.db2.gz CGLNLVFPHXEQAP-CUMRGQLISA-N 0 1 653.529 7.008 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095569810 562767730 /nfs/dbraw/zinc/76/77/30/562767730.db2.gz JMGJNBNLVSLZKK-RNDKRWLGSA-N 0 1 631.770 5.646 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095570106 562767930 /nfs/dbraw/zinc/76/79/30/562767930.db2.gz KGRCCNJIZHJYBK-MZXQNBQBSA-N 0 1 778.010 6.311 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570583 562768313 /nfs/dbraw/zinc/76/83/13/562768313.db2.gz RIKKTKCVINKHQI-WAPJKPAKSA-N 0 1 667.556 6.937 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095570797 562768486 /nfs/dbraw/zinc/76/84/86/562768486.db2.gz FHYFYPZRCDKSKV-HYHRRZRMSA-N 0 1 608.824 5.528 3 0 KKAFMN CCOc1ccccc1CN1[C@@H](c2ccc(OC)cc2)CC(C(=O)OC)(C(=O)OC)[C@H]1c1ccccc1 ZINC000095570768 562768522 /nfs/dbraw/zinc/76/85/22/562768522.db2.gz OAGBJEYAKHKCAA-XNMGPUDCSA-N 0 1 503.595 5.115 3 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095570882 562768551 /nfs/dbraw/zinc/76/85/51/562768551.db2.gz DRQNCGZLFKRWDU-VBEKBXFHSA-N 0 1 691.741 7.375 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095571120 562768798 /nfs/dbraw/zinc/76/87/98/562768798.db2.gz IXNRSUPNSZLJQC-CQKZLPGDSA-N 0 1 700.840 6.670 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095571553 562769089 /nfs/dbraw/zinc/76/90/89/562769089.db2.gz APSCYXRJDHETQP-XEAUXGAJSA-N 0 1 729.702 7.294 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095571518 562769109 /nfs/dbraw/zinc/76/91/09/562769109.db2.gz YSXIVJXGDJXBNS-UYXZNNOOSA-N 0 1 669.122 5.544 1 0 KKAFMN Cc1ccc(C(=O)Nc2ccc(CN3CCCC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095575256 562770259 /nfs/dbraw/zinc/77/02/59/562770259.db2.gz ZVLDJWAUCMOGIZ-UHFFFAOYSA-N 0 1 546.557 5.381 1 0 KKAFMN Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3n[nH]cc3c2)nn1 ZINC000095576839 562770735 /nfs/dbraw/zinc/77/07/35/562770735.db2.gz XVCPZFLMAOLHQX-UHFFFAOYSA-N 0 1 560.584 5.771 1 0 KKAFMN CC(C)(C)OC(=O)NCCC[C@H](N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095577742 562771066 /nfs/dbraw/zinc/77/10/66/562771066.db2.gz NCWQYKBAUIPYMD-WOGQQFDQSA-N 0 1 676.858 6.716 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@@H+](CCSc4sccc4P(=O)(OC(C)C)OC(C)C)C[C@@H]3C(=O)[O-])c2c1 ZINC000095580083 562771772 /nfs/dbraw/zinc/77/17/72/562771772.db2.gz DQWDYFAGOBNWAK-ZEZZXZOMSA-N 0 1 650.800 6.602 1 0 KKAFMN C[NH+]1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2Cl)C1 ZINC000095581047 562772031 /nfs/dbraw/zinc/77/20/31/562772031.db2.gz QGDYQAMRNMISJB-UHFFFAOYSA-N 0 1 554.456 5.532 1 0 KKAFMN CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1 ZINC000095588989 562774771 /nfs/dbraw/zinc/77/47/71/562774771.db2.gz MWAFLDQEXDZJCF-UHFFFAOYSA-N 0 1 514.818 5.693 1 0 KKAFMN CN1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095588988 562774819 /nfs/dbraw/zinc/77/48/19/562774819.db2.gz URLFXOAZLHEFBC-CPESWEKQSA-N 0 1 513.515 6.285 1 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095598752 562777488 /nfs/dbraw/zinc/77/74/88/562777488.db2.gz DDSCLAZWRCKZSX-ISCCLHIJSA-N 0 1 648.704 5.199 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095599194 562777818 /nfs/dbraw/zinc/77/78/18/562777818.db2.gz XHCFGJIATIGRMD-DVIHYUSWSA-N 0 1 650.780 5.517 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599244 562777889 /nfs/dbraw/zinc/77/78/89/562777889.db2.gz JUEHVKXRGUAEIX-YDLQOJJBSA-N 0 1 753.690 8.584 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O 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C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604014 562780749 /nfs/dbraw/zinc/78/07/49/562780749.db2.gz NIQNUTWSSZLHED-OAGJSAJJSA-N 0 1 643.891 5.795 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000095605106 562781392 /nfs/dbraw/zinc/78/13/92/562781392.db2.gz GTUQXIUJJGJFLR-AOHZZOSCSA-N 0 1 709.832 5.167 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095605375 562781473 /nfs/dbraw/zinc/78/14/73/562781473.db2.gz SWHQDKJXWQFGPY-WMUWJOOSSA-N 0 1 643.568 5.647 1 0 KKAFMN CCOC(=O)COc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5ccc(OCc6ccccc6)c(OC)c5OC)CC4)cc3o2)ccc1OC ZINC000095607326 562782733 /nfs/dbraw/zinc/78/27/33/562782733.db2.gz JVFRIJCADGYYCX-UHFFFAOYSA-N 0 1 768.816 5.436 1 0 KKAFMN CCOC(=O)COc1cc(-c2cc(O)c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(OCc6ccccc6)c(OC)c5OC)CC4)cc-3o2)ccc1OC 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COc1cc(N2CCC(N3CCN(C(C)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000095615001 562786999 /nfs/dbraw/zinc/78/69/99/562786999.db2.gz QORPEHDLGSODPU-UHFFFAOYSA-N 0 1 757.846 6.874 1 0 KKAFMN COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095782031 562789046 /nfs/dbraw/zinc/78/90/46/562789046.db2.gz URUYPBZFUNKRKA-WRZBRUQPSA-N 0 1 673.898 5.485 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccc3c2OCCCO3)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867111 562789789 /nfs/dbraw/zinc/78/97/89/562789789.db2.gz SEJLCTYRTRPGEU-PNRGXICFSA-N 0 1 597.756 5.497 1 0 KKAFMN CC(C)Oc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12 ZINC000096169829 562790907 /nfs/dbraw/zinc/79/09/07/562790907.db2.gz GOWVPXNIYHDDAK-UHFFFAOYSA-N 0 1 566.628 5.435 1 0 KKAFMN CCN1CCN(Cc2cnc3c(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc(C(=O)Nc4cccnc4)c3n2)CC1 ZINC000096173406 562791368 /nfs/dbraw/zinc/79/13/68/562791368.db2.gz KPGVDTIUTLRPRF-UHFFFAOYSA-N 0 1 581.504 5.406 1 0 KKAFMN O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1cccc(F)c1 ZINC000096174090 562791669 /nfs/dbraw/zinc/79/16/69/562791669.db2.gz QVOTVSNEZOXVAG-UHFFFAOYSA-N 0 1 581.677 5.135 1 0 KKAFMN CCOCC[NH+]1CCC(Cc2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175770 562791994 /nfs/dbraw/zinc/79/19/94/562791994.db2.gz GZMMMQKHQUFFEA-UHFFFAOYSA-N 0 1 703.910 6.298 1 0 KKAFMN Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(Sc4ccc(NC(=O)C5CC5)cc4)n3)[nH]c2c1 ZINC000096271635 562793886 /nfs/dbraw/zinc/79/38/86/562793886.db2.gz ZNDYJPWTJIVRSD-UHFFFAOYSA-N 0 1 517.018 5.948 1 0 KKAFMN CCCCOc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)[nH+]ccc3c2)n1 ZINC000096283221 562794848 /nfs/dbraw/zinc/79/48/48/562794848.db2.gz WWOHSJOYQVGZJB-UHFFFAOYSA-N 0 1 569.662 5.784 1 0 KKAFMN Cc1nc(Nc2ccc(C(=O)[O-])cc2)ncc1C[NH+]1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(Cl)c2)CC1 ZINC000096285406 562795651 /nfs/dbraw/zinc/79/56/51/562795651.db2.gz CDDUGYMASQDEKR-LJAQVGFWSA-N 0 1 605.139 5.503 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302071 562796239 /nfs/dbraw/zinc/79/62/39/562796239.db2.gz RJVRDLDDCGQDGE-PBFQYQTBSA-N 0 1 620.810 6.044 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302071 562796240 /nfs/dbraw/zinc/79/62/40/562796240.db2.gz RJVRDLDDCGQDGE-PBFQYQTBSA-N 0 1 620.810 6.044 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302072 562796248 /nfs/dbraw/zinc/79/62/48/562796248.db2.gz FSHOMAHJUYDWJR-NGZLLANBSA-N 0 1 616.866 7.325 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302072 562796249 /nfs/dbraw/zinc/79/62/49/562796249.db2.gz FSHOMAHJUYDWJR-NGZLLANBSA-N 0 1 616.866 7.325 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(Cl)ccc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905556 562798534 /nfs/dbraw/zinc/79/85/34/562798534.db2.gz MNTHMSMKBFHOPD-SGUQQXKUSA-N 0 1 527.036 5.818 1 0 KKAFMN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C(CC(=O)c2ccc(Cl)cc2)=C(O)c2ccc(F)cc2)cc1 ZINC000096906772 562798876 /nfs/dbraw/zinc/79/88/76/562798876.db2.gz SCDTZFAJZASXSP-NDEPHWFRSA-N 0 1 557.452 8.533 1 0 KKAFMN CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000096909598 562799625 /nfs/dbraw/zinc/79/96/25/562799625.db2.gz QGFMHKNZYUPZNZ-RBTNQOKQSA-N 0 1 541.614 6.168 1 0 KKAFMN COc1ccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)cc1 ZINC000096910119 562799869 /nfs/dbraw/zinc/79/98/69/562799869.db2.gz LONCFUZSLDPGLJ-PZGXJGMVSA-N 0 1 503.643 5.158 1 0 KKAFMN CCN(CC)C(=O)n1c2cc(Cl)ccc2n(C2CCN([C@H]3CCc4cc(OC)c(OC)cc43)CC2)c1=O ZINC000096933804 562803686 /nfs/dbraw/zinc/80/36/86/562803686.db2.gz 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CCCCCC(CCCCC)CC(=O)C(O)=C(O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631499 565164683 /nfs/dbraw/zinc/16/46/83/565164683.db2.gz BKHVFIAHNJYSJV-VSCQPYOZSA-N 0 1 658.860 6.471 1 0 biogenic,in-vitro KKAFMN COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(OC)cc5[C@@H](C[NH+]3C)C4)c(OC)cc2CC[N@@H+]1C ZINC000095485888 565173441 /nfs/dbraw/zinc/17/34/41/565173441.db2.gz QXDZEQUWGRWSAQ-BVTWBVRGSA-N 0 1 664.843 6.775 1 0 biogenic,in-vitro KKAFMN CCc1cc(C[C@@H]2CC[C@@]3(C2)Cc2cc(O)cc(OCO)c2-c2ccc4c(c23)O[C@H](c2ccc(O)c(OC)c2)[C@H]4COC(C)=O)cnc1N ZINC000085568380 291948383 /nfs/dbraw/zinc/94/83/83/291948383.db2.gz DCRBJYNSYLPFDQ-RWZCOJQESA-N 0 1 666.771 6.259 1 0 biogenic,in-vitro KKAFMN CC[C@@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C2CC2)c(=O)o1 ZINC000003815651 561682961 /nfs/dbraw/zinc/68/29/61/561682961.db2.gz VEXRXPAIHVICKW-CHJDUVSTSA-N 0 1 559.684 6.433 1 0 KKAFMN CCc1cccc(CC)c1NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000003953116 561690709 /nfs/dbraw/zinc/69/07/09/561690709.db2.gz JMWQBPRIANCZRQ-MLWJCNIFSA-N 0 1 530.621 5.029 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)CCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(C)c(F)c1 ZINC000003964494 561691415 /nfs/dbraw/zinc/69/14/15/561691415.db2.gz QEEBBVPPVYZDDG-USOMCTOXSA-N 0 1 510.650 5.339 1 0 KKAFMN CCN1CC[C@@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000005823030 561698768 /nfs/dbraw/zinc/69/87/68/561698768.db2.gz HKSABFMJANGSMM-UZNNEEJFSA-N 0 1 521.657 7.300 1 0 KKAFMN COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2 ZINC000013455671 561713667 /nfs/dbraw/zinc/71/36/67/561713667.db2.gz LOXUUVJTKHHJKI-QFIPXVFZSA-N 0 1 500.658 7.186 1 0 KKAFMN COc1ccccc1N1CCN(CCCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596969 561706067 /nfs/dbraw/zinc/70/60/67/561706067.db2.gz CMRZPEQDXOUDCW-UHFFFAOYSA-N 0 1 637.225 5.591 1 0 KKAFMN CC(=O)c1cccc(NC(=O)Nc2cc3c(cc2CN2CCC(Cc4ccc(F)cc4)CC2)OCO3)c1 ZINC000013475834 561714748 /nfs/dbraw/zinc/71/47/48/561714748.db2.gz NDXPXQWBWHPZBF-UHFFFAOYSA-N 0 1 503.574 5.856 1 0 KKAFMN O=C(CCc1cccc2ccccc21)c1ccccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1 ZINC000013529164 561717547 /nfs/dbraw/zinc/71/75/47/561717547.db2.gz NVSXFDQTCYVKHH-MUUNZHRXSA-N 0 1 509.646 5.379 1 0 KKAFMN CC(C)[C@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761696 561727988 /nfs/dbraw/zinc/72/79/88/561727988.db2.gz MSPKBDSHENZXSJ-XMMPIXPASA-N 0 1 516.059 6.247 1 0 KKAFMN CCCc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761648 561728031 /nfs/dbraw/zinc/72/80/31/561728031.db2.gz CLDRSJNLDPCRJL-MHZLTWQESA-N 0 1 521.679 6.300 1 0 KKAFMN Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nncn12 ZINC000013587837 561720872 /nfs/dbraw/zinc/72/08/72/561720872.db2.gz SACRSUCIYWDREQ-SANMLTNESA-N 0 1 500.393 5.235 1 0 KKAFMN COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)c3ccccc3c1OC)CC2 ZINC000013588500 561721014 /nfs/dbraw/zinc/72/10/14/561721014.db2.gz XXDKXXVEKGJMFE-UHFFFAOYSA-N 0 1 527.459 5.196 1 0 KKAFMN CC(C)C[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761713 561728140 /nfs/dbraw/zinc/72/81/40/561728140.db2.gz YQNOXGAZMZYQEE-DEOSSOPVSA-N 0 1 513.631 6.122 1 0 KKAFMN Nc1nc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc2n1S(=O)(=O)C1CCCC1 ZINC000013641306 561722099 /nfs/dbraw/zinc/72/20/99/561722099.db2.gz DMVLGJOBKSHMDG-UHFFFAOYSA-N 0 1 519.577 5.741 1 0 KKAFMN O=C([O-])[C@H]1CCC[N@@H+](CCOC(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)C1 ZINC000013729406 561725137 /nfs/dbraw/zinc/72/51/37/561725137.db2.gz MCFRYOKGGIGYJY-KRWDZBQOSA-N 0 1 507.427 5.386 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC(C)(C)CCC ZINC000013780886 561729285 /nfs/dbraw/zinc/72/92/85/561729285.db2.gz ONQFGCOKSYLREQ-QSEAXJEQSA-N 0 1 502.696 5.529 1 0 KKAFMN O=S1(=O)c2cccc3cccc(c23)N1CCCN1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000013826823 561733014 /nfs/dbraw/zinc/73/30/14/561733014.db2.gz QLRUMELLFYFLRX-UHFFFAOYSA-N 0 1 522.468 5.772 1 0 KKAFMN CC(=O)Nc1ccc(SC[C@@H](Cc2ccccc2)N2CCN(CCc3ccccc3)CCC2=O)cc1 ZINC000013829946 561733230 /nfs/dbraw/zinc/73/32/30/561733230.db2.gz ILAUSUDKTJLFLK-MUUNZHRXSA-N 0 1 501.696 5.125 1 0 KKAFMN COc1cc(OC2CCN([C@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000014096480 561736527 /nfs/dbraw/zinc/73/65/27/561736527.db2.gz XMCRJVIWAZBDSM-PMERELPUSA-N 0 1 630.717 5.150 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000014115399 561736675 /nfs/dbraw/zinc/73/66/75/561736675.db2.gz SBVKGMUDJCJZJQ-GOXSRMGUSA-N 0 1 612.792 7.142 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000014115399 561736677 /nfs/dbraw/zinc/73/66/77/561736677.db2.gz SBVKGMUDJCJZJQ-GOXSRMGUSA-N 0 1 612.792 7.142 1 0 KKAFMN CCCCOc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000014943421 561741730 /nfs/dbraw/zinc/74/17/30/561741730.db2.gz TYICRGMXQPUREK-NDEPHWFRSA-N 0 1 551.705 6.526 1 0 KKAFMN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3C[C@@H](C)O[C@@H](C)C3)c3ccccc23)cc1 ZINC000014956568 561747767 /nfs/dbraw/zinc/74/77/67/561747767.db2.gz VZZXGCGHBAJFIX-PSWAGMNNSA-N 0 1 555.723 6.763 1 0 KKAFMN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCSCC3)c3ccccc23)cc1 ZINC000014956576 561747816 /nfs/dbraw/zinc/74/78/16/561747816.db2.gz IWLBEANDLWYRTM-UHFFFAOYSA-N 0 1 543.737 6.703 1 0 KKAFMN Cn1nnc(-c2ccc3nc(-c4ccc(CN5CCC(n6c7ccccc7[nH]c6=O)CC5)cc4)c(-c4ccccc4)nc3c2)n1 ZINC000014957951 561748113 /nfs/dbraw/zinc/74/81/13/561748113.db2.gz CTMFNTMZZCWIHH-UHFFFAOYSA-N 0 1 593.695 5.634 1 0 KKAFMN CCNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl ZINC000014963027 561748837 /nfs/dbraw/zinc/74/88/37/561748837.db2.gz WHDKIKHSLJFJEZ-UHFFFAOYSA-N 0 1 513.834 5.726 1 0 KKAFMN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NCC[C@H]2CCC[N@H+]2CC2CCCCC2)ccc2c1CCCC2 ZINC000014964628 561749343 /nfs/dbraw/zinc/74/93/43/561749343.db2.gz WJKUUVHLJCAMEU-XMMPIXPASA-N 0 1 539.742 5.911 1 0 KKAFMN Cc1cccc(C)c1OC(=O)N(c1ccc2ccccc2c1)c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000014965427 561749599 /nfs/dbraw/zinc/74/95/99/561749599.db2.gz INKLMMQBCKFZMP-UHFFFAOYSA-N 0 1 558.686 7.079 1 0 KKAFMN O=C(CCCN1CCN(Cc2ccc(Cl)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940060 561760846 /nfs/dbraw/zinc/76/08/46/561760846.db2.gz DIVHSMNAEPSLAL-ZLZBJJAKSA-N 0 1 512.163 6.007 1 0 KKAFMN CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3cnc[nH]3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025981474 561763939 /nfs/dbraw/zinc/76/39/39/561763939.db2.gz YQGNXQWPWJAAKQ-MUUNZHRXSA-N 0 1 528.722 5.920 1 0 KKAFMN CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3cnc[nH]3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025981482 561763977 /nfs/dbraw/zinc/76/39/77/561763977.db2.gz YQGNXQWPWJAAKQ-NDEPHWFRSA-N 0 1 528.722 5.920 1 0 KKAFMN Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000026016350 561766368 /nfs/dbraw/zinc/76/63/68/561766368.db2.gz JKXNOBBQTKNUPF-UHFFFAOYSA-N 0 1 551.756 7.408 1 0 KKAFMN CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12 ZINC000026182631 561772039 /nfs/dbraw/zinc/77/20/39/561772039.db2.gz HEEOMQHFUSVLEM-DGPALRBDSA-N 0 1 514.755 5.377 1 0 KKAFMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000026253252 561774437 /nfs/dbraw/zinc/77/44/37/561774437.db2.gz HEPQIDBMXXAHTJ-LQJZCPKCSA-N 0 1 613.843 6.692 1 0 KKAFMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)CCc1ccccc1 ZINC000026264657 561776086 /nfs/dbraw/zinc/77/60/86/561776086.db2.gz JIDSTTNPFKBEDP-CONSDPRKSA-N 0 1 571.762 5.437 1 0 KKAFMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccccc1 ZINC000026267833 561776661 /nfs/dbraw/zinc/77/66/61/561776661.db2.gz BRNNVTNSNUZGHW-KYJUHHDHSA-N 0 1 557.735 5.395 1 0 KKAFMN CCCc1nc(C[N@H+]2CCN(c3ccccc3)C[C@H]2Cc2ccccc2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026376269 561782023 /nfs/dbraw/zinc/78/20/23/561782023.db2.gz DNJLUNFRGIXFIU-JGCGQSQUSA-N 0 1 652.803 6.363 1 0 KKAFMN NC(N)c1ccc([C@@H](NS(=O)(=O)c2cccc3ccccc32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390775 561785669 /nfs/dbraw/zinc/78/56/69/561785669.db2.gz NCERBHOPMWPMBI-PMERELPUSA-N 0 1 573.611 6.084 1 0 KKAFMN Cc1c2cc(O)cc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@@H](CCN1CCN(c2cc(C)ccn2)CC1)O3 ZINC000026403894 561789218 /nfs/dbraw/zinc/78/92/18/561789218.db2.gz PWQSGDXLYIZACP-RUZDIDTESA-N 0 1 512.654 5.321 1 0 KKAFMN CN(C)c1ccc(-c2nc(-c3ccc(C=CCN4CCOCC4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026576250 561800129 /nfs/dbraw/zinc/80/01/29/561800129.db2.gz CVRFCEYASKOKPQ-AATRIKPKSA-N 0 1 507.682 5.888 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc21 ZINC000026578542 561803528 /nfs/dbraw/zinc/80/35/28/561803528.db2.gz UNJRWDQWFXSFPO-LVKBLGTMSA-N 0 1 641.686 7.096 1 0 KKAFMN CC(C)(C)c1cc(-c2cc(-c3cc(-c4ccccc4)c(O)c(-c4ccccc4)c3)n[nH]2)cc(C(C)(C)C)c1O ZINC000026656729 561809481 /nfs/dbraw/zinc/80/94/81/561809481.db2.gz PZHIFPRHNNERTI-UHFFFAOYSA-N 0 1 516.685 9.084 1 0 KKAFMN COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CCC4CC5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026674223 561813344 /nfs/dbraw/zinc/81/33/44/561813344.db2.gz OXLWKCOVWCVMRM-PKAZHMFMSA-N 0 1 538.644 6.626 1 0 KKAFMN C[C@@H](O[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026744167 561818561 /nfs/dbraw/zinc/81/85/61/561818561.db2.gz XFBNCYABIIKUDT-RFVSGWPVSA-N 0 1 514.470 5.619 1 0 KKAFMN C[C@@H](O[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026744167 561818562 /nfs/dbraw/zinc/81/85/62/561818562.db2.gz XFBNCYABIIKUDT-RFVSGWPVSA-N 0 1 514.470 5.619 1 0 KKAFMN CC(C)C(=O)Nc1nc2c(c(=O)[n-]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000026745603 561818747 /nfs/dbraw/zinc/81/87/47/561818747.db2.gz ZVWDWHLXLHRYDF-FQLXRVMXSA-O 0 1 585.688 5.255 1 0 KKAFMN CC(C)C(=O)Nc1nc2c(c(=O)[n-]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000026745612 561818753 /nfs/dbraw/zinc/81/87/53/561818753.db2.gz ZVWDWHLXLHRYDF-URLMMPGGSA-O 0 1 585.688 5.255 1 0 KKAFMN O=C([O-])Cc1cccc(CCCC2(O)CCN(C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 ZINC000026823124 561821464 /nfs/dbraw/zinc/82/14/64/561821464.db2.gz IMUDDPQNMKTPCR-AJQTZOPKSA-N 0 1 532.769 5.759 1 0 KKAFMN O=C([O-])Cc1cccc(CCCC2(O)CCN(C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 ZINC000026823124 561821466 /nfs/dbraw/zinc/82/14/66/561821466.db2.gz IMUDDPQNMKTPCR-AJQTZOPKSA-N 0 1 532.769 5.759 1 0 KKAFMN O=C([O-])CCc1ccc(CCCC2(O)CCN(C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026823129 561821512 /nfs/dbraw/zinc/82/15/12/561821512.db2.gz YYLIUOFKQNBOEB-JHOUSYSJSA-N 0 1 546.796 6.149 1 0 KKAFMN O=C([O-])CCc1ccc(CCCC2(O)CCN(C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026823129 561821513 /nfs/dbraw/zinc/82/15/13/561821513.db2.gz YYLIUOFKQNBOEB-JHOUSYSJSA-N 0 1 546.796 6.149 1 0 KKAFMN CCCCCS(=O)(=O)N(CCC)CC[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OCC)c(F)c1 ZINC000026960147 561829557 /nfs/dbraw/zinc/82/95/57/561829557.db2.gz XZPNZRRCWPOWET-ZPJFYFFZSA-N 0 1 592.730 5.026 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)N(C(=O)C[C@@H](O)C(=O)[O-])C3=O)cc1)O2 ZINC000026965691 561829997 /nfs/dbraw/zinc/82/99/97/561829997.db2.gz BYNUYHFRYSQFMI-WXVDFRGISA-N 0 1 728.864 6.216 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)O2 ZINC000026964848 561830003 /nfs/dbraw/zinc/83/00/03/561830003.db2.gz GQGOLCRNYNRGTM-DKOZSQSISA-N 0 1 612.792 7.142 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)O2 ZINC000026964848 561830004 /nfs/dbraw/zinc/83/00/04/561830004.db2.gz GQGOLCRNYNRGTM-DKOZSQSISA-N 0 1 612.792 7.142 1 0 KKAFMN CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](CCCNC(=O)CCCc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026983370 561831669 /nfs/dbraw/zinc/83/16/69/561831669.db2.gz WPWKYFZHRKLCAD-DSPMFFIESA-N 0 1 628.814 5.120 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCCc1ccccc1 ZINC000026985424 561831876 /nfs/dbraw/zinc/83/18/76/561831876.db2.gz ATVSMGGOHDCRCI-SDDUWZMOSA-N 0 1 623.885 5.471 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCCc1ccccc1 ZINC000026985424 561831877 /nfs/dbraw/zinc/83/18/77/561831877.db2.gz ATVSMGGOHDCRCI-SDDUWZMOSA-N 0 1 623.885 5.471 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSc1ccccc1 ZINC000026989296 561832293 /nfs/dbraw/zinc/83/22/93/561832293.db2.gz ZJDKIZWSAPCYLY-WTWMYVDVSA-N 0 1 595.831 5.288 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSc1ccccc1 ZINC000026989296 561832295 /nfs/dbraw/zinc/83/22/95/561832295.db2.gz ZJDKIZWSAPCYLY-WTWMYVDVSA-N 0 1 595.831 5.288 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@@H](c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083336 561835568 /nfs/dbraw/zinc/83/55/68/561835568.db2.gz UUQGJUFZXHHWRQ-OIFRRMEBSA-N 0 1 543.777 6.272 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083336 561835569 /nfs/dbraw/zinc/83/55/69/561835569.db2.gz UUQGJUFZXHHWRQ-OIFRRMEBSA-N 0 1 543.777 6.272 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000027078230 561834639 /nfs/dbraw/zinc/83/46/39/561834639.db2.gz ROPVYNUGSZRGBD-WOCSTVOOSA-N 0 1 694.902 5.531 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000027078230 561834641 /nfs/dbraw/zinc/83/46/41/561834641.db2.gz ROPVYNUGSZRGBD-WOCSTVOOSA-N 0 1 694.902 5.531 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C(F)(F)F)CC5)CC4)OCCO3)cc2)cc1 ZINC000027095410 561837983 /nfs/dbraw/zinc/83/79/83/561837983.db2.gz TXOWFLDRXBQZQP-UHFFFAOYSA-N 0 1 658.739 5.763 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 ZINC000027100749 561838682 /nfs/dbraw/zinc/83/86/82/561838682.db2.gz CPGXIQUYLPQZQK-KAYWLYCHSA-N 0 1 632.823 5.830 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)NCC(c2ccccc2)c2ccccc2)cc1 ZINC000027198386 561844657 /nfs/dbraw/zinc/84/46/57/561844657.db2.gz XNUQKPOLJGKCNN-SJZCYFJVSA-N 0 1 578.665 5.214 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)CCCSc1ccccn1 ZINC000027102492 561839104 /nfs/dbraw/zinc/83/91/04/561839104.db2.gz SQVHGRVONUSHGR-ZLESDFJESA-N 0 1 692.927 5.357 1 0 KKAFMN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@](C)(CCS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027106540 561840319 /nfs/dbraw/zinc/84/03/19/561840319.db2.gz VEFHCOLQNWCREK-MGBGTMOVSA-N 0 1 562.776 6.322 1 0 KKAFMN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@@](C)(C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027107751 561840629 /nfs/dbraw/zinc/84/06/29/561840629.db2.gz AYVFJDPITYUMTH-GVYVVWIYSA-N 0 1 576.803 6.710 1 0 KKAFMN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@@](C)(C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027107745 561840633 /nfs/dbraw/zinc/84/06/33/561840633.db2.gz AYVFJDPITYUMTH-MYVCOICNSA-N 0 1 576.803 6.710 1 0 KKAFMN COc1cc(NC(=O)N[C@@H](CC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc(OC)c1OC ZINC000027180468 561841728 /nfs/dbraw/zinc/84/17/28/561841728.db2.gz OCFVRBOTVITVCK-QHCPKHFHSA-N 0 1 538.516 6.468 1 0 KKAFMN CCCc1cccc(CCC)c1NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000027194349 561844064 /nfs/dbraw/zinc/84/40/64/561844064.db2.gz UJPMGYUNKDMJEA-FUKIBTTHSA-N 0 1 558.675 5.809 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)CCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CC)c(F)c1 ZINC000027315535 561851527 /nfs/dbraw/zinc/85/15/27/561851527.db2.gz SVAMJINLNAHCIL-RKJPZGCHSA-N 0 1 524.677 5.593 1 0 KKAFMN CCCCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000027330658 561854916 /nfs/dbraw/zinc/85/49/16/561854916.db2.gz OJWVDKCOGMRFNT-UHFFFAOYSA-N 0 1 678.853 7.074 1 0 KKAFMN COc1ccccc1N1CCN(CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027428612 561858935 /nfs/dbraw/zinc/85/89/35/561858935.db2.gz KHBBXDUMTOKHAJ-WJOKGBTCSA-N 0 1 546.633 7.713 1 0 KKAFMN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027517863 561861622 /nfs/dbraw/zinc/86/16/22/561861622.db2.gz DSHYGKAKVRNSRB-RSXGOPAZSA-N 0 1 576.694 5.344 1 0 KKAFMN O[C@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)CC1 ZINC000027519786 561863306 /nfs/dbraw/zinc/86/33/06/561863306.db2.gz BMCNIFMHVQTIKB-KRWDZBQOSA-N 0 1 598.387 5.827 1 0 KKAFMN Cc1cc(I)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546623 561866939 /nfs/dbraw/zinc/86/69/39/561866939.db2.gz LLUKLOGVWWPZKG-NSOVKSMOSA-N 0 1 523.458 6.411 1 0 KKAFMN O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027551384 561868007 /nfs/dbraw/zinc/86/80/07/561868007.db2.gz FBICEOFMWBPEIA-UHFFFAOYSA-N 0 1 533.594 5.479 1 0 KKAFMN O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000027553529 561868658 /nfs/dbraw/zinc/86/86/58/561868658.db2.gz GUKJTWYUEMCIOS-YTTGMZPUSA-N 0 1 564.726 5.639 1 0 KKAFMN CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2COCc2ccccc2)cc1 ZINC000027626691 561873184 /nfs/dbraw/zinc/87/31/84/561873184.db2.gz VWSDZLWAIZCEJG-VLZNPVHKSA-N 0 1 534.744 7.182 1 0 KKAFMN c1ccc2cc(CNc3nc(NCc4ccc5ccccc5c4)nc(NCc4ccc5ccccc5c4)n3)ccc2c1 ZINC000027657594 561878004 /nfs/dbraw/zinc/87/80/04/561878004.db2.gz RQNIDKOWDMBUSX-UHFFFAOYSA-N 0 1 546.678 8.168 1 0 KKAFMN CC(=O)c1ccc2c(c1)N(CCCN1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1S2 ZINC000027865875 561887736 /nfs/dbraw/zinc/88/77/36/561887736.db2.gz NRNSJWMFGWBCLB-UHFFFAOYSA-N 0 1 512.679 5.311 1 0 KKAFMN CCc1nn(CCCCN2CCOCC2)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027841993 561885093 /nfs/dbraw/zinc/88/50/93/561885093.db2.gz KWCUYENIXYLZDG-UHFFFAOYSA-N 0 1 506.131 5.964 1 0 KKAFMN CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017205 561897591 /nfs/dbraw/zinc/89/75/91/561897591.db2.gz RTBAIVWNBSQJJO-HMQVCXRFSA-N 0 1 621.241 7.215 1 0 KKAFMN CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017205 561897592 /nfs/dbraw/zinc/89/75/92/561897592.db2.gz RTBAIVWNBSQJJO-HMQVCXRFSA-N 0 1 621.241 7.215 1 0 KKAFMN CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028008043 561895932 /nfs/dbraw/zinc/89/59/32/561895932.db2.gz DMUHIPIQOMSLKE-TUTZNEALSA-N 0 1 576.757 5.646 1 0 KKAFMN CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028008043 561895934 /nfs/dbraw/zinc/89/59/34/561895934.db2.gz DMUHIPIQOMSLKE-TUTZNEALSA-N 0 1 576.757 5.646 1 0 KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C4CC4)cn4ccccc34)cc2)cc1OC ZINC000028023136 561898969 /nfs/dbraw/zinc/89/89/69/561898969.db2.gz PGAOHGRDXNRKPM-UHFFFAOYSA-N 0 1 548.705 5.610 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087974 561899405 /nfs/dbraw/zinc/89/94/05/561899405.db2.gz ICFBKVPIXDVRSY-VZQWUQQYSA-N 0 1 630.849 6.959 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087974 561899406 /nfs/dbraw/zinc/89/94/06/561899406.db2.gz ICFBKVPIXDVRSY-VZQWUQQYSA-N 0 1 630.849 6.959 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028092094 561900135 /nfs/dbraw/zinc/90/01/35/561900135.db2.gz AYQPUUZHDGKDRB-MQMFKJKRSA-N 0 1 576.757 5.733 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028092094 561900136 /nfs/dbraw/zinc/90/01/36/561900136.db2.gz AYQPUUZHDGKDRB-MQMFKJKRSA-N 0 1 576.757 5.733 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099422 561901410 /nfs/dbraw/zinc/90/14/10/561901410.db2.gz FAZPCIDHXLZGET-KLTPPHAJSA-N 0 1 628.755 7.046 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099422 561901412 /nfs/dbraw/zinc/90/14/12/561901412.db2.gz FAZPCIDHXLZGET-KLTPPHAJSA-N 0 1 628.755 7.046 1 0 KKAFMN COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)[C@H]2Oc3c(c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000028220636 561907303 /nfs/dbraw/zinc/90/73/03/561907303.db2.gz OSJRZMYTBINECU-RBISFHTESA-N 0 1 510.970 5.331 1 0 KKAFMN COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)C2Oc3c(c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000028220636 561907305 /nfs/dbraw/zinc/90/73/05/561907305.db2.gz OSJRZMYTBINECU-RBISFHTESA-N 0 1 510.970 5.331 1 0 KKAFMN CCC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238080 561910138 /nfs/dbraw/zinc/91/01/38/561910138.db2.gz NVBGERHFKDMLCS-UHFFFAOYSA-N 0 1 680.777 7.197 1 0 KKAFMN COc1cc2c(cc1OCCCCOc1ccc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028385998 561921019 /nfs/dbraw/zinc/92/10/19/561921019.db2.gz RBBHZQKRPMRMMP-SANMLTNESA-N 0 1 608.743 5.549 1 0 KKAFMN Oc1cc(Br)c(Br)c2c1Oc1cc(Br)cc(Br)c1O2 ZINC000028455296 561923443 /nfs/dbraw/zinc/92/34/43/561923443.db2.gz SSCRQJOLSHUSSG-UHFFFAOYSA-N 0 1 515.777 6.340 1 0 in-vivo KKAFMN Cc1cc(O)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1[C@]1(c2ccccc2)C(=O)Nc2ccccc21 ZINC000028460207 561924930 /nfs/dbraw/zinc/92/49/30/561924930.db2.gz UYMFGHZKRJSGGC-WJOKGBTCSA-N 0 1 526.658 6.085 1 0 KKAFMN CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCc2nn[nH]n2)cc1 ZINC000028525844 561931757 /nfs/dbraw/zinc/93/17/57/561931757.db2.gz BBEVWACOHXBZRJ-UHFFFAOYSA-N 0 1 599.658 5.836 1 0 KKAFMN O=C([O-])[C@@H]1CCCC[N@H+]1CCC=C(c1sccc1COCc1ccccc1)c1sccc1COCc1ccccc1 ZINC000028564894 561935809 /nfs/dbraw/zinc/93/58/09/561935809.db2.gz GYLJKXHUIAPXHF-HKBQPEDESA-N 0 1 587.807 8.004 1 0 KKAFMN Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccccc1C(F)(F)F ZINC000028702836 561947512 /nfs/dbraw/zinc/94/75/12/561947512.db2.gz FDDHJANHSBOLPP-UHFFFAOYSA-N 0 1 556.614 5.137 1 0 KKAFMN COc1ccc(-c2nc3ccc(C4=NN(Cc5ccc(-c6ccccc6-c6nn[nH]n6)cc5)C(=O)C[C@H]4C)cc3[nH]2)cc1 ZINC000028755493 561955635 /nfs/dbraw/zinc/95/56/35/561955635.db2.gz BLOPDJCCPUCMPV-HXUWFJFHSA-N 0 1 568.641 5.858 1 0 KKAFMN CCCCc1nc2ccc(C3=NN(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)C(=O)C[C@@H]3C)cc2[nH]1 ZINC000028757875 561957157 /nfs/dbraw/zinc/95/71/57/561957157.db2.gz MCDTVGVGWHNVSX-IBGZPJMESA-N 0 1 518.625 5.525 1 0 KKAFMN Oc1c(I)cc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1I ZINC000028758097 561957214 /nfs/dbraw/zinc/95/72/14/561957214.db2.gz SFBJAXBRJMGJQW-UHFFFAOYSA-N 0 1 644.315 8.741 1 0 KKAFMN Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000028821094 561966151 /nfs/dbraw/zinc/96/61/51/561966151.db2.gz ULBJIWJGABTABW-WOFUPGFCSA-N 0 1 702.856 5.663 1 0 KKAFMN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCN(Cc3ccsc3)CC2)c1 ZINC000028825276 561970693 /nfs/dbraw/zinc/97/06/93/561970693.db2.gz GVLCAZROLWVRJA-UHFFFAOYSA-N 0 1 603.188 7.642 1 0 KKAFMN O[C@@H]1/C(=C/c2cn(Cc3ccccc3Br)c3ccc(Br)cc23)N2CCC1CC2 ZINC000028826468 561971325 /nfs/dbraw/zinc/97/13/25/561971325.db2.gz JUQWNHFUTIWARD-KIJDSKARSA-N 0 1 502.250 5.642 1 0 KKAFMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000028866676 561973585 /nfs/dbraw/zinc/97/35/85/561973585.db2.gz HRMCITUOOGVTKS-UHFFFAOYSA-N 0 1 507.421 7.308 1 0 KKAFMN CC(C)N1CCN(C(=O)OC2([C@@H]3CCC[C@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879678 561976474 /nfs/dbraw/zinc/97/64/74/561976474.db2.gz QRUVSTZLYGAOFS-FTJBHMTQSA-N 0 1 582.113 5.598 1 0 KKAFMN O=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028870688 561974050 /nfs/dbraw/zinc/97/40/50/561974050.db2.gz JPOZTPLEYKWVIN-UHFFFAOYSA-N 0 1 508.185 6.492 1 0 KKAFMN C[C@H]1C[N@@H+](C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000029126226 561998537 /nfs/dbraw/zinc/99/85/37/561998537.db2.gz KTGGOPHGOVXURE-DKZPSNSASA-N 0 1 564.726 5.816 1 0 KKAFMN Cc1nc2cc3c(cc2s1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126804 561998916 /nfs/dbraw/zinc/99/89/16/561998916.db2.gz MXYJVPGKILUPBU-UHFFFAOYSA-N 0 1 514.724 5.840 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(C(F)(F)C(F)(F)F)oc5cc4CC3)n2C)n1 ZINC000029126855 561999087 /nfs/dbraw/zinc/99/90/87/561999087.db2.gz HRUTWQCXFHLYSD-UHFFFAOYSA-N 0 1 602.633 6.717 1 0 KKAFMN CCc1nc2ccc3c(c2s1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127440 561999806 /nfs/dbraw/zinc/99/98/06/561999806.db2.gz ZLAONGKKHFSBFL-UHFFFAOYSA-N 0 1 528.751 6.094 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4nc5ccc(Cl)cn5c4CC3)n2C)n1 ZINC000029127382 561999879 /nfs/dbraw/zinc/99/98/79/561999879.db2.gz YNRYXTYLZKMJRP-UHFFFAOYSA-N 0 1 518.090 5.223 1 0 KKAFMN CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccc(F)cc3)cc21 ZINC000029131145 562002789 /nfs/dbraw/zinc/00/27/89/562002789.db2.gz UWFZITVNSLTPGK-UHFFFAOYSA-N 0 1 544.439 6.375 1 0 KKAFMN CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCCC1 ZINC000029342254 562015526 /nfs/dbraw/zinc/01/55/26/562015526.db2.gz SKSBFQJKEVVOPX-JDIHBLRXSA-N 0 1 679.928 5.684 1 0 KKAFMN O=C([O-])CCC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029400656 562019577 /nfs/dbraw/zinc/01/95/77/562019577.db2.gz XFKVTZSOTRVSAJ-UHFFFAOYSA-N 0 1 552.462 5.110 1 0 KKAFMN O=C(Nc1c2ccccc2ccc1C(O)(C(F)(F)F)C(F)(F)F)c1ccc(I)cc1 ZINC000029473620 562025966 /nfs/dbraw/zinc/02/59/66/562025966.db2.gz NKOQDJNKUIVVCI-UHFFFAOYSA-N 0 1 539.213 6.009 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029556039 562032077 /nfs/dbraw/zinc/03/20/77/562032077.db2.gz URROWHQGEAJOJS-BHLFKXHTSA-N 0 1 612.792 7.313 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029556039 562032079 /nfs/dbraw/zinc/03/20/79/562032079.db2.gz URROWHQGEAJOJS-BHLFKXHTSA-N 0 1 612.792 7.313 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029556035 562032091 /nfs/dbraw/zinc/03/20/91/562032091.db2.gz URROWHQGEAJOJS-NIZKYUCHSA-N 0 1 612.792 7.313 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029556035 562032093 /nfs/dbraw/zinc/03/20/93/562032093.db2.gz URROWHQGEAJOJS-NIZKYUCHSA-N 0 1 612.792 7.313 1 0 KKAFMN COc1cc(NCCCCCCN2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)c2nccc(C)c2c1 ZINC000029562113 562033440 /nfs/dbraw/zinc/03/34/40/562033440.db2.gz QCBFODWRRAEXBK-UHFFFAOYSA-N 0 1 551.735 7.100 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 ZINC000029568401 562034903 /nfs/dbraw/zinc/03/49/03/562034903.db2.gz ADOUHIKUSVYGDB-UMSFTDKQSA-N 0 1 620.800 6.616 1 0 KKAFMN CC(C)(C(=O)[O-])[N@@H+]1CC[C@](C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)C1 ZINC000036184914 562050637 /nfs/dbraw/zinc/05/06/37/562050637.db2.gz QIDWKMNIWOOQON-MGBGTMOVSA-N 0 1 576.137 5.720 1 0 KKAFMN CC(C)(C(=O)[O-])[N@H+]1CC[C@](C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)C1 ZINC000036184914 562050638 /nfs/dbraw/zinc/05/06/38/562050638.db2.gz QIDWKMNIWOOQON-MGBGTMOVSA-N 0 1 576.137 5.720 1 0 KKAFMN CC(C)(C(=O)[O-])[N@@H+]1CC[C@@](C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)C1 ZINC000036184915 562050643 /nfs/dbraw/zinc/05/06/43/562050643.db2.gz QIDWKMNIWOOQON-XIFFEERXSA-N 0 1 576.137 5.720 1 0 KKAFMN CC(C)(C(=O)[O-])[N@H+]1CC[C@@](C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)C1 ZINC000036184915 562050645 /nfs/dbraw/zinc/05/06/45/562050645.db2.gz QIDWKMNIWOOQON-XIFFEERXSA-N 0 1 576.137 5.720 1 0 KKAFMN O=C(NCCCc1cnc[nH]1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000038142450 562063619 /nfs/dbraw/zinc/06/36/19/562063619.db2.gz QJDXAQZNKZDALD-UHFFFAOYSA-N 0 1 540.293 5.203 1 0 in-vitro KKAFMN O=C(Nc1ccc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)[nH]c2c1)c1ccccc1Cl ZINC000038147874 562065759 /nfs/dbraw/zinc/06/57/59/562065759.db2.gz SNNVALFLYQXYNU-UHFFFAOYSA-N 0 1 501.373 7.041 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc3ccccc31)cc(=O)n2C ZINC000040401498 562074584 /nfs/dbraw/zinc/07/45/84/562074584.db2.gz RNXCYTSKNUJZDX-WJOKGBTCSA-N 0 1 505.021 5.996 1 0 KKAFMN O=C(NCCCc1cnc[nH]1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372494 562071428 /nfs/dbraw/zinc/07/14/28/562071428.db2.gz DKBCPWSPMZLASX-JDXGNMNLSA-N 0 1 669.068 5.186 1 0 KKAFMN COC(=O)[C@@](CCCN1CCN(Cc2cccc(F)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040878167 562082310 /nfs/dbraw/zinc/08/23/10/562082310.db2.gz NTMYREWWPOLSFO-AREMUKBSSA-N 0 1 505.472 5.253 1 0 KKAFMN COC(=O)[C@](CCCN1CCN(Cc2ccc(F)cc2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040878171 562082435 /nfs/dbraw/zinc/08/24/35/562082435.db2.gz ITWYTIMGSRUMGF-SANMLTNESA-N 0 1 505.472 5.253 1 0 KKAFMN CCC1C=C(c2cccc(CCc3c(=O)c(OC)c(O)c4c(O)cc(-c5ccc(O)cc5)oc3-4)c2)C(CO)=N1 ZINC000103533245 560050997 /nfs/dbraw/zinc/05/09/97/560050997.db2.gz SKOOLDJIXUAFGT-UHFFFAOYSA-N 0 1 526.565 5.206 1 0 biogenic,in-vitro KKAFMN O=C(C=C(O)C1=CCc2[nH]ccc2[C@H]1C[C@H]1CCc2cccc(O)c2CC1)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000085626999 560069021 /nfs/dbraw/zinc/06/90/21/560069021.db2.gz DLAABNMMCASTLG-WQBWHMICSA-N 0 1 566.718 7.006 1 0 biogenic,in-vitro KKAFMN C=C/C(=C\C)O[C@H](C=C(C)C)c1c(O)c2c(=O)cc3c(c-2oc1-c1ccc(OC)cc1)C=CC(C)(C)O3 ZINC000034602748 560086920 /nfs/dbraw/zinc/08/69/20/560086920.db2.gz AWRBKJWQZPOTFN-OXTYKBQQSA-N 0 1 500.591 7.472 1 0 biogenic,in-vitro KKAFMN COc1c(O)cc2oc(-c3ccc(O)c(CCCCCC[C@H](C)COC(C)=O)c3)c(O)c(=O)c2c1OC ZINC000014645684 560223619 /nfs/dbraw/zinc/22/36/19/560223619.db2.gz PEZYILOZNWLRTK-INIZCTEOSA-N 0 1 514.571 5.286 1 0 biogenic,in-vitro KKAFMN O=C([O-])CC[N@H+]1CCc2c(c3ccccc3n2Cc2cccc(OCc3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043065492 562645384 /nfs/dbraw/zinc/64/53/84/562645384.db2.gz UGFDLXGVQIZUGJ-UHFFFAOYSA-N 0 1 526.036 6.303 1 0 KKAFMN C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(CN2CCC(F)CC2)cc1Cl ZINC000043121203 562646175 /nfs/dbraw/zinc/64/61/75/562646175.db2.gz JVKDICNPGGXTEU-MRXNPFEDSA-N 0 1 513.038 5.889 1 0 KKAFMN CC(C)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)[O-])c1 ZINC000043205307 562646986 /nfs/dbraw/zinc/64/69/86/562646986.db2.gz LLGFXWBVMOKSFP-MUUNZHRXSA-N 0 1 561.635 8.913 1 0 KKAFMN COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4ccccc4Cl)c3)C2)cc1OC1CCCC1 ZINC000043524196 562648925 /nfs/dbraw/zinc/64/89/25/562648925.db2.gz LTXYSUKJQIFLEB-FQEVSTJZSA-N 0 1 541.069 5.991 1 0 KKAFMN COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C(C)=O)[C@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3 ZINC000044352039 562654981 /nfs/dbraw/zinc/65/49/81/562654981.db2.gz FACPTWNXIVCGNY-KYJUHHDHSA-N 0 1 634.729 6.791 1 0 KKAFMN O=C(NCc1ccc(F)cc1)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045168438 562658144 /nfs/dbraw/zinc/65/81/44/562658144.db2.gz APEOJUFDTUJNFS-UHFFFAOYSA-N 0 1 504.487 7.377 1 0 KKAFMN O=C(NC[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045169106 562658232 /nfs/dbraw/zinc/65/82/32/562658232.db2.gz QHRVZLGUVNELPH-QGZVFWFLSA-N 0 1 512.519 6.705 1 0 KKAFMN CC(=O)N1CCC(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)CC1 ZINC000045193443 562658735 /nfs/dbraw/zinc/65/87/35/562658735.db2.gz ZUFHNARJCRAOEA-UHFFFAOYSA-N 0 1 506.528 6.113 1 0 KKAFMN COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000045202375 562659145 /nfs/dbraw/zinc/65/91/45/562659145.db2.gz OEFJWDXUFNYBHO-UHFFFAOYSA-N 0 1 526.637 5.026 1 0 KKAFMN CC(C)(C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000045227810 562659390 /nfs/dbraw/zinc/65/93/90/562659390.db2.gz MEMVYMCFYSLROY-UHFFFAOYSA-N 0 1 501.845 6.872 1 0 KKAFMN CC(C)(C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045227810 562659391 /nfs/dbraw/zinc/65/93/91/562659391.db2.gz MEMVYMCFYSLROY-UHFFFAOYSA-N 0 1 501.845 6.872 1 0 KKAFMN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CC1CCN(CC(C)=O)CC1)c1ccccc1 ZINC000045322432 562661090 /nfs/dbraw/zinc/66/10/90/562661090.db2.gz POAFMNKBDQVSSX-PMERELPUSA-N 0 1 519.689 6.626 1 0 KKAFMN NC(=O)c1cccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)c1 ZINC000045325062 562661241 /nfs/dbraw/zinc/66/12/41/562661241.db2.gz FIILTHSINMYCRQ-UHFFFAOYSA-N 0 1 500.480 6.267 1 0 KKAFMN COc1ccc(NC(=O)c2csc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)c2)cc1N1CCN(C)CC1 ZINC000048308973 562663151 /nfs/dbraw/zinc/66/31/51/562663151.db2.gz PCEAXTIQDGMNER-UHFFFAOYSA-N 0 1 610.784 5.984 1 0 KKAFMN O=C(CSc1nc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n[nH]1)c1ccc(Br)cc1 ZINC000048999012 562663243 /nfs/dbraw/zinc/66/32/43/562663243.db2.gz DLURPVCXNURFSD-UHFFFAOYSA-N 0 1 514.426 5.042 1 0 KKAFMN Cn1c2ccccc2c2c1CCN(CC[C@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3ccccc3)CCO1)C2 ZINC000049605009 562665231 /nfs/dbraw/zinc/66/52/31/562665231.db2.gz RJLGXVRLVXGYAW-JGCGQSQUSA-N 0 1 562.541 6.230 1 0 KKAFMN CS(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000049605148 562665375 /nfs/dbraw/zinc/66/53/75/562665375.db2.gz MUAVTFBFEHPKCM-UHFFFAOYSA-N 0 1 555.603 6.311 1 0 KKAFMN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2cccc(CCCO)c2)CC1 ZINC000049605173 562665455 /nfs/dbraw/zinc/66/54/55/562665455.db2.gz LJCMQQPJELRYQM-YDVOGMPMSA-N 0 1 571.549 5.272 1 0 KKAFMN CC(C)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2cc(CN3CCCCC3)ccc21 ZINC000049605244 562665565 /nfs/dbraw/zinc/66/55/65/562665565.db2.gz KVWRJCBEVABMBZ-UHFFFAOYSA-N 0 1 733.847 9.681 1 0 KKAFMN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc(C(F)(F)F)c1)CC2 ZINC000049626347 562667167 /nfs/dbraw/zinc/66/71/67/562667167.db2.gz ICTDNSCIVSSZQH-QHCPKHFHSA-N 0 1 590.568 6.632 1 0 KKAFMN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(C)c2)CC1 ZINC000049639116 562667618 /nfs/dbraw/zinc/66/76/18/562667618.db2.gz VUHIYVFNMRSCJC-UHFFFAOYSA-N 0 1 586.951 6.449 1 0 KKAFMN COc1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC ZINC000049694616 562669550 /nfs/dbraw/zinc/66/95/50/562669550.db2.gz TUWKXYAHIYRCAT-HHHXNRCGSA-N 0 1 533.631 5.351 1 0 KKAFMN O=C(NCc1ccccc1)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049709509 562671343 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CS(=O)(=O)c1ccc2c(c1)CCN(CCC1CCC(NC(=O)c3cc4cccc(Br)c4[nH]3)CC1)CC2 ZINC000049746242 562674331 /nfs/dbraw/zinc/67/43/31/562674331.db2.gz CRIDAXWUHFTOOK-UHFFFAOYSA-N 0 1 572.569 5.113 1 0 KKAFMN O=C(Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)Nc1ccc(F)c(F)c1F ZINC000049746639 562674507 /nfs/dbraw/zinc/67/45/07/562674507.db2.gz UXMNFJGMURVXMK-UHFFFAOYSA-N 0 1 526.440 7.977 1 0 KKAFMN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000049776345 562679358 /nfs/dbraw/zinc/67/93/58/562679358.db2.gz QZVKMTXFSIOGOY-WJOKGBTCSA-N 0 1 664.812 5.590 1 0 KKAFMN CCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000049776999 562679505 /nfs/dbraw/zinc/67/95/05/562679505.db2.gz SHAWTVDNEZSOSR-UHFFFAOYSA-N 0 1 542.676 7.030 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)N(C(=O)C[C@H](O)C(=O)[O-])C3=O)cc1)C(C)(C)O2 ZINC000049802379 562685690 /nfs/dbraw/zinc/68/56/90/562685690.db2.gz 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562715257 /nfs/dbraw/zinc/71/52/57/562715257.db2.gz NXLQPOGSCFFLAD-SZPZYZBQSA-N 0 1 596.753 5.837 1 0 KKAFMN Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn32)cc1 ZINC000071316111 562717857 /nfs/dbraw/zinc/71/78/57/562717857.db2.gz HBHRRWOIDZQPBQ-UHFFFAOYSA-N 0 1 567.397 7.877 1 0 KKAFMN C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@H](Oc2cccc(Cl)n2)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000071318500 562718525 /nfs/dbraw/zinc/71/85/25/562718525.db2.gz GWAWCEXQGCBEJE-XRHLQHRESA-N 0 1 626.006 5.881 1 0 KKAFMN Cn1c2cc(C(=O)N[C@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@@H+](C)C3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071341142 562719888 /nfs/dbraw/zinc/71/98/88/562719888.db2.gz CTDKNICFSSBXEM-KSSBTCCXSA-N 0 1 605.739 5.829 1 0 KKAFMN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CN2CCCCC2)c(OC(C)C)c1 ZINC000072113432 562722357 /nfs/dbraw/zinc/72/23/57/562722357.db2.gz GYKYDSMPLXRLJJ-IOWSJCHKSA-N 0 1 580.556 7.347 1 0 KKAFMN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CN2CCCCC2)c(OC(C)C)c1 ZINC000072113431 562722359 /nfs/dbraw/zinc/72/23/59/562722359.db2.gz GYKYDSMPLXRLJJ-FIRIVFDPSA-N 0 1 580.556 7.347 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072124322 562725033 /nfs/dbraw/zinc/72/50/33/562725033.db2.gz LRORJSKSVZGRTN-BUEREQSYSA-N 0 1 573.553 5.017 3 0 KKAFMN O=S(=O)([N-]c1ccc(C[C@H]2CC[C@@H]([C@@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126800 562725441 /nfs/dbraw/zinc/72/54/41/562725441.db2.gz CVNUDPVQPWCUGZ-YUJJRVTMSA-N 0 1 649.760 7.693 1 0 KKAFMN CC(C)=CCC/C(C)=C/COc1c(=O)c2c(O)cc(-c3ccccc3)oc-2c(C/C=C(\C)CCC=C(C)C)c1OC/C=C(\C)CCC=C(C)C ZINC000072129934 562726621 /nfs/dbraw/zinc/72/66/21/562726621.db2.gz AKRUBPNAGFPFMZ-SIJAYTPOSA-N 0 1 678.954 12.544 1 0 KKAFMN CC(C)Nc1nc(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)nc(NC(C)C)[nH+]1 ZINC000072132791 562726840 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/nfs/dbraw/zinc/77/68/92/562776892.db2.gz SWHGENWOODAXQB-OQBISYOISA-N 0 1 613.707 5.076 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095598935 562777630 /nfs/dbraw/zinc/77/76/30/562777630.db2.gz LZRMYYQDLQFCEK-YUAZXLJXSA-N 0 1 728.809 7.006 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599328 562778017 /nfs/dbraw/zinc/77/80/17/562778017.db2.gz CBAAPWVHONFTKW-OGIDDNHMSA-N 0 1 724.843 6.039 1 0 KKAFMN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095600145 562778613 /nfs/dbraw/zinc/77/86/13/562778613.db2.gz ZIZWTQGIFKHADQ-GTNJKRJXSA-N 0 1 620.599 5.455 1 0 KKAFMN Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](CN(C)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095600444 562778908 /nfs/dbraw/zinc/77/89/08/562778908.db2.gz XZKSGWSUUNDQRD-QLODZENZSA-N 0 1 604.535 5.594 1 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KLKLQSLGLUMZHU-UHFFFAOYSA-N 0 1 517.362 6.226 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095604269 562780930 /nfs/dbraw/zinc/78/09/30/562780930.db2.gz CBAAPWVHONFTKW-KSUBRIHNSA-N 0 1 724.843 6.039 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095605081 562781308 /nfs/dbraw/zinc/78/13/08/562781308.db2.gz NLNOREAGNASAOL-XZSHTLEFSA-N 0 1 643.872 5.476 1 0 KKAFMN CC(=O)OC1=C2C(C)[C@@H](OC(C)=O)C[C@@](O)([C@@H](OCc3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)C=Cc4ccc5ccccc5c4)[C@@]3(C)C1=O)C2(C)C ZINC000095608121 562783399 /nfs/dbraw/zinc/78/33/99/562783399.db2.gz RRSNUPQDTKBGJR-UCSCVOGHSA-N 0 1 794.894 6.001 1 0 KKAFMN CC(=O)OC1=C2C(C)[C@@H](OC(C)=O)C[C@@](O)([C@@H](OCc3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)COc4ccc5ccccc5c4)[C@@]3(C)C1=O)C2(C)C ZINC000095612495 562785585 /nfs/dbraw/zinc/78/55/85/562785585.db2.gz GUXAOUMCIPBBBQ-QRDLWHOWSA-N 0 1 798.882 5.366 1 0 KKAFMN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2cccc(OCC(=O)Nc3cccc(C(=O)c4ccccc4)c3)c2)CC1 ZINC000095616255 562787845 /nfs/dbraw/zinc/78/78/45/562787845.db2.gz FSADQNMMWTXQIP-WBAVYHETSA-N 0 1 766.726 7.595 1 0 KKAFMN CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CC[NH+]3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000095617117 562787877 /nfs/dbraw/zinc/78/78/77/562787877.db2.gz LPRCTIDGJNLVJS-UHFFFAOYSA-N 0 1 742.251 7.262 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666743 562788294 /nfs/dbraw/zinc/78/82/94/562788294.db2.gz TYIUHSCZBUSREW-MWXNICTNSA-N 0 1 594.583 6.642 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095838539 562789452 /nfs/dbraw/zinc/78/94/52/562789452.db2.gz NTYNVBJJDZWMGX-UNVFRBQDSA-N 0 1 585.627 5.097 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869056 562789902 /nfs/dbraw/zinc/78/99/02/562789902.db2.gz TYIUHSCZBUSREW-VDZJOXJSSA-N 0 1 594.583 6.642 1 0 KKAFMN CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1 ZINC000096174207 562791795 /nfs/dbraw/zinc/79/17/95/562791795.db2.gz AJLWDJDWMFJLHM-BHVANESWSA-N 0 1 649.702 5.310 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4=CC[NH2+]CC4)nc32)c1 ZINC000096175742 562791899 /nfs/dbraw/zinc/79/18/99/562791899.db2.gz WDYNEIBFVXGQAU-UHFFFAOYSA-N 0 1 615.760 5.383 1 0 KKAFMN CC[NH+]1CCC(Cc2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175765 562791951 /nfs/dbraw/zinc/79/19/51/562791951.db2.gz NRWIEVBTHNLZHT-UHFFFAOYSA-N 0 1 659.857 6.281 1 0 KKAFMN COCC[NH+]1CCC(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175751 562791954 /nfs/dbraw/zinc/79/19/54/562791954.db2.gz QECCAWDDZJLAKL-UHFFFAOYSA-N 0 1 675.856 5.833 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(CC4CC[NH+](C)CC4)nc32)c1 ZINC000096175764 562792009 /nfs/dbraw/zinc/79/20/09/562792009.db2.gz KWQZSXNOCOOZSI-UHFFFAOYSA-N 0 1 645.830 5.891 1 0 KKAFMN CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C3CCC3)n1)C(=O)N(C1CCN(C(=O)CN(C)C)CC1)C2 ZINC000096177893 562792484 /nfs/dbraw/zinc/79/24/84/562792484.db2.gz VRSBBOUWXNVSKO-UHFFFAOYSA-N 0 1 696.274 5.239 1 0 KKAFMN Cc1c[nH]c2nc(Nc3cc(C)c(C4CCN(C[C@H](O)C(F)(F)F)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177944 562792541 /nfs/dbraw/zinc/79/25/41/562792541.db2.gz CHLJQWZELDYSRJ-LJAQVGFWSA-N 0 1 688.817 7.134 1 0 KKAFMN C[C@@H](Oc1c[nH]c(=O)c(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258128 562792838 /nfs/dbraw/zinc/79/28/38/562792838.db2.gz OMVKEJJVHSVCLF-CQSZACIVSA-N 0 1 516.404 5.256 1 0 KKAFMN 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QBGFOGSWODCRIX-XDZDDBEASA-N 0 1 603.232 7.477 1 0 KKAFMN CN1CCCN(C(=O)COc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696113 562811784 /nfs/dbraw/zinc/81/17/84/562811784.db2.gz OXIZESITNKSRTL-UHFFFAOYSA-N 0 1 583.710 5.207 1 0 KKAFMN O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCN1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000103135132 562814417 /nfs/dbraw/zinc/81/44/17/562814417.db2.gz ZGPROTVBDDFDQH-OAQYLSRUSA-N 0 1 517.427 5.044 1 0 KKAFMN O[C@@H](CSc1nnc(-c2ccc(Br)cc2)c2ccccc21)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000103189325 562815598 /nfs/dbraw/zinc/81/55/98/562815598.db2.gz IRXOYNKHWNAGPH-HSZRJFAPSA-N 0 1 569.956 5.988 1 0 KKAFMN O[C@@H](CSc1nnc(-c2ccc(Br)cc2)c2ccccc21)CN1CCN(c2ccccc2)CC1 ZINC000103189323 562815609 /nfs/dbraw/zinc/81/56/09/562815609.db2.gz SSZZSDMUSFBOKZ-HSZRJFAPSA-N 0 1 535.511 5.335 1 0 KKAFMN CCCCOc1ccc(N=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H](C)CCCC(C)C)cc1 ZINC000103214204 562816915 /nfs/dbraw/zinc/81/69/15/562816915.db2.gz NJBHYAWBCKQODT-AREMUKBSSA-N 0 1 592.821 8.340 1 0 KKAFMN O=C(N[C@H](c1ccc(Cl)cc1)c1ncccn1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283351 562823659 /nfs/dbraw/zinc/82/36/59/562823659.db2.gz IFBVQKSJPHIBDN-FXSWLTOZSA-N 0 1 569.931 5.383 1 0 KKAFMN O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1NC1CCC(N2CCC(F)(F)C2)CC1)C1CC1 ZINC000114032045 562826904 /nfs/dbraw/zinc/82/69/04/562826904.db2.gz OUYXZBHLOMDOAX-UHFFFAOYSA-N 0 1 560.472 7.571 1 0 KKAFMN [NH3+][C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(F)c5)cc43)cn2)C1 ZINC000114037612 562827225 /nfs/dbraw/zinc/82/72/25/562827225.db2.gz RNDRXUOKCDOSTQ-IBGZPJMESA-N 0 1 515.564 5.544 1 0 KKAFMN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000114099032 562827611 /nfs/dbraw/zinc/82/76/11/562827611.db2.gz IHASKOROCFKNKB-OAQYLSRUSA-N 0 1 541.010 5.907 1 0 KKAFMN CCCC(=O)Nc1cccc(-c2nc3ccc(OCCN4CCN(C)CC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114754066 562828442 /nfs/dbraw/zinc/82/84/42/562828442.db2.gz OYYKFTMPIAGPIG-UHFFFAOYSA-N 0 1 564.694 5.282 1 0 KKAFMN COc1ccccc1[N-]S(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114984811 562828694 /nfs/dbraw/zinc/82/86/94/562828694.db2.gz RNVUOYZLPFCBTM-NDEPHWFRSA-N 0 1 541.113 5.868 1 0 KKAFMN COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1 ZINC000115470948 562828967 /nfs/dbraw/zinc/82/89/67/562828967.db2.gz WGSFSUZPGGHIJB-QFIPXVFZSA-N 0 1 606.474 5.321 1 0 KKAFMN COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)CCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1 ZINC000117532729 562829792 /nfs/dbraw/zinc/82/97/92/562829792.db2.gz QPRIEKZFCOMXST-QHCPKHFHSA-N 0 1 605.486 5.570 1 0 in-vitro KKAFMN Cc1cc2nc(-c3c(F)c(F)c(-c4cccc(NC(=O)[C@@H]5CCC[NH2+]5)c4)c(F)c3F)[nH]c2c(C(=O)[O-])c1 ZINC000141393234 562833603 /nfs/dbraw/zinc/83/36/03/562833603.db2.gz URRUFKLHYVPCHN-HNNXBMFYSA-N 0 1 512.463 5.150 1 0 KKAFMN Cc1cc2nc(-c3c(F)c(F)c(-c4cccc(NC(=O)[C@H]5CCC[NH2+]5)c4)c(F)c3F)[nH]c2c(C(=O)[O-])c1 ZINC000141393420 562833605 /nfs/dbraw/zinc/83/36/05/562833605.db2.gz URRUFKLHYVPCHN-OAHLLOKOSA-N 0 1 512.463 5.150 1 0 KKAFMN C[C@@H]1CN(Cc2ccc(C=Cc3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)C[C@H](C)O1 ZINC000143412717 562834982 /nfs/dbraw/zinc/83/49/82/562834982.db2.gz JOCNOQUWDPPPRY-LYWAIKEGSA-N 0 1 504.634 5.720 1 0 KKAFMN Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144354975 562836139 /nfs/dbraw/zinc/83/61/39/562836139.db2.gz RGUHHMPVBDARCD-UHFFFAOYSA-N 0 1 602.661 5.972 1 0 KKAFMN COc1ccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000144545508 562836387 /nfs/dbraw/zinc/83/63/87/562836387.db2.gz FCEQFHOHNCPYHD-PMERELPUSA-N 0 1 532.641 5.393 1 0 KKAFMN CCOc1ccc(-c2ccc(F)c(F)c2)c(C[N@H+]2CCC[C@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c1 ZINC000144576483 562836461 /nfs/dbraw/zinc/83/64/61/562836461.db2.gz FXIHGJREPFQXFL-SSEXGKCCSA-N 0 1 536.575 6.110 1 0 KKAFMN Cc1ccc(NC(=O)C[C@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C1 ZINC000146185983 562838326 /nfs/dbraw/zinc/83/83/26/562838326.db2.gz LIHQNCVREOPPOC-NRFANRHFSA-N 0 1 567.660 5.370 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCCCC2 ZINC000146698737 562838758 /nfs/dbraw/zinc/83/87/58/562838758.db2.gz OUDFNHMFVLVOMJ-XMMPIXPASA-N 0 1 596.563 6.296 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147372271 562839338 /nfs/dbraw/zinc/83/93/38/562839338.db2.gz ZMYPBFYALCUUCY-YUDZBJCPSA-N 0 1 601.771 6.400 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@H]3CCOC3)nc21 ZINC000148115853 562840252 /nfs/dbraw/zinc/84/02/52/562840252.db2.gz HHOZRAZIULTIFL-HXUWFJFHSA-N 0 1 606.653 5.787 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4ccc(NC(=O)C5CC5)nc4)cc3)cc2C(F)(F)F)CC1 ZINC000148130180 562840256 /nfs/dbraw/zinc/84/02/56/562840256.db2.gz JONUUBFCZUAOFY-UHFFFAOYSA-N 0 1 580.655 5.304 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCc3ccccc3)nc21 ZINC000148144905 562840308 /nfs/dbraw/zinc/84/03/08/562840308.db2.gz UHEPNRHUGQWKAT-UHFFFAOYSA-N 0 1 626.687 6.993 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148136183 562840335 /nfs/dbraw/zinc/84/03/35/562840335.db2.gz UHQCIULTSFMNFZ-UHFFFAOYSA-N 0 1 576.627 5.939 1 0 KKAFMN CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)ccc5F)cc43)c(NC3CCOCC3)c2)CC1 ZINC000148748570 562841739 /nfs/dbraw/zinc/84/17/39/562841739.db2.gz GHJLZINDIHSFBZ-UHFFFAOYSA-N 0 1 560.649 5.027 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(-c2cccc3ccccc32)[nH]1)C(=O)NCc1ccccc1 ZINC000150523012 562843553 /nfs/dbraw/zinc/84/35/53/562843553.db2.gz XMLPLUZXTCEABF-HEVIKAOCSA-N 0 1 656.787 6.191 1 0 KKAFMN COc1cc2c(cc1OCCCCCCN1CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000150523288 562843596 /nfs/dbraw/zinc/84/35/96/562843596.db2.gz SLRFEMWLYDLMLL-NDEPHWFRSA-N 0 1 702.778 6.746 1 0 KKAFMN COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6Cl)cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000150537527 562844027 /nfs/dbraw/zinc/84/40/27/562844027.db2.gz XDGDPJLHUMZQBN-OMGNGIFRSA-N 0 1 884.505 8.402 1 0 KKAFMN CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(c4ccccc4N(Cc4ccc(C(C)(C)C)cc4)C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000150546101 562844439 /nfs/dbraw/zinc/84/44/39/562844439.db2.gz LKZPTSTVIYXXMC-QBWYOZAASA-N 0 1 720.708 7.686 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(F)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585595 562845797 /nfs/dbraw/zinc/84/57/97/562845797.db2.gz JKRIOZOEJDDAOK-PZSMLTKBSA-N 0 1 759.868 6.392 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586635 562845867 /nfs/dbraw/zinc/84/58/67/562845867.db2.gz OBYMCAPFENXWIY-GOJCVTOHSA-N 0 1 810.768 7.560 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588313 562845985 /nfs/dbraw/zinc/84/59/85/562845985.db2.gz IZLDOWNQXOSBQR-PZSMLTKBSA-N 0 1 820.774 7.015 1 0 KKAFMN CS(=O)(=O)Nc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OCC1CC1 ZINC000150603137 562847396 /nfs/dbraw/zinc/84/73/96/562847396.db2.gz VCFBPAOSTLMYIV-SANMLTNESA-N 0 1 687.545 6.318 1 0 investigational KKAFMN COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(C=Cc3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)cc2[nH]1)C(C)C ZINC000150605003 562847730 /nfs/dbraw/zinc/84/77/30/562847730.db2.gz PHENZHNHLVZWSL-DPCJXWAOSA-N 0 1 823.033 7.918 1 0 KKAFMN CN1CCN(c2ccc(F)cc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606266 562847886 /nfs/dbraw/zinc/84/78/86/562847886.db2.gz URWOBHXKJKTXDM-VBTAUBHQSA-N 0 1 664.892 5.428 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cncc2ccccc21 ZINC000150608192 562848165 /nfs/dbraw/zinc/84/81/65/562848165.db2.gz IWIHHWOGMQWLMU-ACSSOVEMSA-N 0 1 642.674 6.491 1 0 KKAFMN Cc1cc(Nc2ncc3c(n2)CCN(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2Cl)C3=O)ccc1N1CCN(C)CC1 ZINC000163897759 562849478 /nfs/dbraw/zinc/84/94/78/562849478.db2.gz LCIAAEMZZHAWAG-UHFFFAOYSA-N 0 1 650.105 6.408 1 0 KKAFMN O=C(c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169293939 562852155 /nfs/dbraw/zinc/85/21/55/562852155.db2.gz YULHSCHRHAVYAX-IZZNHLLZSA-N 0 1 548.609 5.977 1 0 KKAFMN O=C(c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169293938 562852166 /nfs/dbraw/zinc/85/21/66/562852166.db2.gz YULHSCHRHAVYAX-CLJLJLNGSA-N 0 1 548.609 5.977 1 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccccc3)c(Br)s2)cc1 ZINC000169303641 562853226 /nfs/dbraw/zinc/85/32/26/562853226.db2.gz PLWRPJJSHKYYDJ-UHFFFAOYSA-N 0 1 528.453 5.934 1 0 KKAFMN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@H]3c3ccc(Cl)cc3)nc12 ZINC000169307145 562853766 /nfs/dbraw/zinc/85/37/66/562853766.db2.gz JACJQEPVGJNOEK-NDEPHWFRSA-N 0 1 541.036 5.363 1 0 KKAFMN Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc(NC2CCCCC2)nc1 ZINC000169311252 562855103 /nfs/dbraw/zinc/85/51/03/562855103.db2.gz MQGPTUGZEDOVCK-UHFFFAOYSA-N 0 1 609.697 5.800 1 0 KKAFMN O=C(NC1(C(=O)N[C@H]2CCCc3cc(-c4cc(Cl)cc(Cl)c4OCC(F)F)ccc32)CC1)C(F)(F)F ZINC000169697127 562866422 /nfs/dbraw/zinc/86/64/22/562866422.db2.gz VWEXBIUSTBETLM-SFHVURJKSA-N 0 1 551.339 6.009 1 0 KKAFMN CC(C)C[C@@]1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 ZINC000169700285 562867687 /nfs/dbraw/zinc/86/76/87/562867687.db2.gz AMJNDQMIEUBXLA-HLADLETHSA-N 0 1 598.579 6.398 1 0 KKAFMN CC[C@H](c1c2c(nn1C)CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2)c1ccccc1 ZINC000169702183 562868225 /nfs/dbraw/zinc/86/82/25/562868225.db2.gz 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1 522.440 5.700 1 0 KKAFMN COc1ccccc1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653821684 562914151 /nfs/dbraw/zinc/91/41/51/562914151.db2.gz OZBQZMLGKSQXRC-UHFFFAOYSA-N 0 1 523.778 5.487 1 0 KKAFMN COc1cccc(OC)c1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653823264 562914266 /nfs/dbraw/zinc/91/42/66/562914266.db2.gz UYOADSAYIWCSLN-UHFFFAOYSA-N 0 1 553.804 5.496 1 0 KKAFMN O=C(Nc1ccc(Oc2ccnc(-c3nncn3CCCN3CCOCC3)c2)c(F)c1)Nc1ccc(F)c(Cl)c1 ZINC000653843507 562915010 /nfs/dbraw/zinc/91/50/10/562915010.db2.gz OLNQUXOBFOZYBN-UHFFFAOYSA-N 0 1 570.000 5.430 1 0 KKAFMN Cc1ccc2[nH]c(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000653845329 562915099 /nfs/dbraw/zinc/91/50/99/562915099.db2.gz KWLJBBUJPGJTAB-UIOOFZCWSA-N 0 1 512.610 5.795 1 0 KKAFMN CN1CCN(c2ccc(NC(=O)c3cc4cc(NS(C)(=O)=O)ccc4n3Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000653882113 562916769 /nfs/dbraw/zinc/91/67/69/562916769.db2.gz DWRVVUYAGWTUNE-UHFFFAOYSA-N 0 1 585.652 5.084 1 0 KKAFMN CCC(=O)Nc1ccc2c(cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)n2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000653912120 562917717 /nfs/dbraw/zinc/91/77/17/562917717.db2.gz FBYRIQXWPVMVJS-UHFFFAOYSA-N 0 1 563.624 6.061 1 0 KKAFMN CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@]2(O)C[C@@H](C[NH2+]CC)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492621 565127335 /nfs/dbraw/zinc/12/73/35/565127335.db2.gz HLESDDRITONTHY-RXXNRYKUSA-N 0 1 601.873 5.499 1 0 biogenic,in-vitro KKAFMN COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@@H+](C)CC2)CCN1C ZINC000095912410 565181596 /nfs/dbraw/zinc/18/15/96/565181596.db2.gz JFYQEEKVWQQEDE-IHLOFXLRSA-N 0 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMN CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C/C=C(\C)CCC=C(C)C)c1C(=O)c1c(O)cc(O)cc1O ZINC000013378016 291910170 /nfs/dbraw/zinc/91/01/70/291910170.db2.gz MGVGIZSDTSABCT-MSKUYSOUSA-N 0 1 534.693 7.916 1 0 biogenic,in-vitro KKAFMN CN(C)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000003842928 561683989 /nfs/dbraw/zinc/68/39/89/561683989.db2.gz BFCVOTGOHBEFMZ-UHFFFAOYSA-N 0 1 659.231 5.910 1 0 KKAFMN COc1ccc(C(=O)N2CCC3(CCN(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)CC2)cc1 ZINC000004238023 561694522 /nfs/dbraw/zinc/69/45/22/561694522.db2.gz FDPRIDYESNTXIC-UHFFFAOYSA-N 0 1 514.510 6.251 1 0 KKAFMN COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@@H+](CCCCCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455710 561713686 /nfs/dbraw/zinc/71/36/86/561713686.db2.gz LCGCRFOPZGGJNQ-JOCHJYFZSA-N 0 1 523.689 7.236 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CC)cc1 ZINC000013470124 561713725 /nfs/dbraw/zinc/71/37/25/561713725.db2.gz KDKGYZPRCNXIRY-USOMCTOXSA-N 0 1 508.659 5.248 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)[C@@H](c1cccc(Cl)c1)OCC(=O)N2C ZINC000013489501 561715868 /nfs/dbraw/zinc/71/58/68/561715868.db2.gz WAHSFNMXOHAFIQ-KAYWLYCHSA-N 0 1 507.421 5.060 1 0 KKAFMN Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCO2 ZINC000013489497 561715929 /nfs/dbraw/zinc/71/59/29/561715929.db2.gz UNEVEWKTGHFQJP-NDEPHWFRSA-N 0 1 517.416 5.352 1 0 KKAFMN CC(c1ccc([S@](=O)C(C)C)cc1)=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1 ZINC000013492459 561716308 /nfs/dbraw/zinc/71/63/08/561716308.db2.gz BERXHPPZKOVMEH-LHEWISCISA-N 0 1 532.725 6.669 1 0 KKAFMN O=C(CCc1cccc2ccccc21)c1ccccc1OC[C@@H](O)CN1CCC(O)(c2ccccc2)CC1 ZINC000013529167 561717504 /nfs/dbraw/zinc/71/75/04/561717504.db2.gz NVSXFDQTCYVKHH-NDEPHWFRSA-N 0 1 509.646 5.379 1 0 KKAFMN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CCCN3CCOCC3)c3ccccc23)cc1 ZINC000013538866 561718191 /nfs/dbraw/zinc/71/81/91/561718191.db2.gz VPELAYYSGMYZKW-UHFFFAOYSA-N 0 1 525.697 6.540 1 0 KKAFMN CCCc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761647 561727927 /nfs/dbraw/zinc/72/79/27/561727927.db2.gz CLDRSJNLDPCRJL-HHHXNRCGSA-N 0 1 521.679 6.300 1 0 KKAFMN O=C(CN1CN(c2ccccc2)C2(CCN([C@@H]3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1 ZINC000013806867 561731514 /nfs/dbraw/zinc/73/15/14/561731514.db2.gz XDBSOVFDSPYHQJ-AREMUKBSSA-N 0 1 514.069 5.221 1 0 KKAFMN CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C2CC2)c(=O)o1 ZINC000014943348 561741423 /nfs/dbraw/zinc/74/14/23/561741423.db2.gz VEXRXPAIHVICKW-YKGWIAGDSA-N 0 1 559.684 6.433 1 0 KKAFMN CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C2CC2)c(=O)o1 ZINC000014943351 561741437 /nfs/dbraw/zinc/74/14/37/561741437.db2.gz SEUIMKBYBKTVTL-ONOMSOESSA-N 0 1 564.103 7.078 1 0 KKAFMN Cn1nc(C[C@H](CC(=O)[O-])c2cnc(-c3ccc(Cl)cc3)s2)cc1OCCc1ccc2c([nH+]1)NCCC2 ZINC000014191372 561737434 /nfs/dbraw/zinc/73/74/34/561737434.db2.gz XKXMEMPIHRKAQX-LJQANCHMSA-N 0 1 538.073 5.373 1 0 KKAFMN C[C@H](Nc1cc(-c2[nH]c(SCc3ccc([S@](C)=O)cc3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000014177075 561737445 /nfs/dbraw/zinc/73/74/45/561737445.db2.gz SZLYSQJIZDNCQP-JVKYNMQJSA-N 0 1 542.705 7.481 1 0 KKAFMN OCCCNc1nccc(-c2nc(-c3c(Cl)cc(OCCO)cc3Cl)[nH]c2-c2cccc(OCc3ccccn3)c2)n1 ZINC000014210047 561737817 /nfs/dbraw/zinc/73/78/17/561737817.db2.gz AHGFVSHOSIKUPR-UHFFFAOYSA-N 0 1 607.498 5.647 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-c5nn[nH]n5)cc4nc3-c3ccccc3)cc2)CC1 ZINC000014957942 561748052 /nfs/dbraw/zinc/74/80/52/561748052.db2.gz BYLSJFOFBQNZSU-UHFFFAOYSA-N 0 1 579.668 5.624 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5c[nH]nc5cc4nc3-c3ccccc3)cc2)CC1 ZINC000014957955 561748073 /nfs/dbraw/zinc/74/80/73/561748073.db2.gz UEJWBQCBMLOKJQ-UHFFFAOYSA-N 0 1 551.654 6.320 1 0 KKAFMN O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O ZINC000014962097 561748734 /nfs/dbraw/zinc/74/87/34/561748734.db2.gz FVSBUQCOCOEDJM-UHFFFAOYSA-N 0 1 515.613 6.035 1 0 KKAFMN COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1 ZINC000014965543 561749638 /nfs/dbraw/zinc/74/96/38/561749638.db2.gz KBJVFZCXZGSCFO-UHFFFAOYSA-N 0 1 519.480 6.694 1 0 KKAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C(=O)C2CCCCC2)c1Cl ZINC000026149027 561767400 /nfs/dbraw/zinc/76/74/00/561767400.db2.gz LUZPZMXRVHRPFI-UHFFFAOYSA-N 0 1 536.075 6.131 1 0 KKAFMN CN1CCN(CCOc2ccc(Nc3cc4c(cn3)cc(-c3c(Cl)cccc3Cl)c(=O)n4C)cc2)CC1 ZINC000021289535 561758884 /nfs/dbraw/zinc/75/88/84/561758884.db2.gz OJWPICIEUSPJKT-UHFFFAOYSA-N 0 1 538.479 5.277 1 0 KKAFMN CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 ZINC000022449354 561759191 /nfs/dbraw/zinc/75/91/91/561759191.db2.gz IAGMQISKNISZPR-UHFFFAOYSA-N 0 1 579.770 5.772 1 0 KKAFMN COc1cccc([C@H](OCCN2CCN(C/C=C/c3ccccc3)CC2)c2cccc(Br)c2)c1 ZINC000022925563 561759682 /nfs/dbraw/zinc/75/96/82/561759682.db2.gz ZVXTZYNQLSAYCQ-BKUMGXLKSA-N 0 1 521.499 5.895 1 0 KKAFMN COc1ccc(OC)c(/C=C/CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022925554 561759737 /nfs/dbraw/zinc/75/97/37/561759737.db2.gz HXGQGTYVLCWKMP-ONEGZZNKSA-N 0 1 508.609 5.419 1 0 KKAFMN CC(C)(C(=O)[O-])[NH+]1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1 ZINC000025422030 561762708 /nfs/dbraw/zinc/76/27/08/561762708.db2.gz TXEFMFGXKKPZEW-UHFFFAOYSA-N 0 1 590.164 6.110 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+](C)CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000025964552 561762996 /nfs/dbraw/zinc/76/29/96/561762996.db2.gz IUCVMFQGKCHLPG-SNBXREPGSA-N 0 1 586.754 6.609 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@@H+](C)CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000025964552 561762998 /nfs/dbraw/zinc/76/29/98/561762998.db2.gz IUCVMFQGKCHLPG-SNBXREPGSA-N 0 1 586.754 6.609 1 0 KKAFMN O=S(=O)(c1cc(Cl)ccc1Cl)N1Cc2ccccc2N(Cc2cnc[nH]2)[C@H](CCc2ccccc2)C1 ZINC000025980808 561763887 /nfs/dbraw/zinc/76/38/87/561763887.db2.gz YAXSUZMCTBTSBP-XMMPIXPASA-N 0 1 541.504 5.929 1 0 KKAFMN CN(CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCN(CCN1CCOCC1)C(=O)Nc1ccc(F)cc1F ZINC000026018275 561766521 /nfs/dbraw/zinc/76/65/21/561766521.db2.gz JDCWWINOFGMBJY-UHFFFAOYSA-N 0 1 620.770 5.912 1 0 KKAFMN COc1ccccc1OCCN1CCN(c2cnn(CCCCCCCCN3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026262046 561775630 /nfs/dbraw/zinc/77/56/30/561775630.db2.gz PBDSLBBYXQQLNV-UHFFFAOYSA-N 0 1 671.714 5.923 1 0 KKAFMN COc1cc(OC2CCN([C@H]3CCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026277364 561778493 /nfs/dbraw/zinc/77/84/93/561778493.db2.gz WKBKYOBZIJPMBM-PMERELPUSA-N 0 1 600.691 5.521 1 0 KKAFMN COc1ccc([C@@](OCC[N@H+]2CCC[C@@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000026400792 561788308 /nfs/dbraw/zinc/78/83/08/561788308.db2.gz JLPFRSGXRAQFON-PIIWDFAUSA-N 0 1 581.553 6.838 1 0 KKAFMN COc1cc2c(C)c(-c3cc(C)c(O)c(C)c3)n3c2c(c1)O[C@@H](CCN1CCN(c2cc(C)ccn2)CC1)C3 ZINC000026403363 561789055 /nfs/dbraw/zinc/78/90/55/561789055.db2.gz DICOBUHJULWHPR-VWLOTQADSA-N 0 1 526.681 5.624 1 0 KKAFMN CC(C)CCN(c1ccc(NCc2ccccn2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026492241 561793544 /nfs/dbraw/zinc/79/35/44/561793544.db2.gz QMDYJQBTCSAHBJ-XIFFEERXSA-N 0 1 590.857 6.538 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000026578541 561803510 /nfs/dbraw/zinc/80/35/10/561803510.db2.gz MRNGFCCVLNCTQA-KWAZPYRMSA-N 0 1 641.686 7.096 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026642865 561806996 /nfs/dbraw/zinc/80/69/96/561806996.db2.gz SZESKYUCLVPQFH-TXQSWDKBSA-N 0 1 591.626 5.943 1 0 KKAFMN CC(C)C(=O)Nc1nc2c(c(=O)[n-]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000026745598 561818751 /nfs/dbraw/zinc/81/87/51/561818751.db2.gz ZVWDWHLXLHRYDF-WDYNHAJCSA-O 0 1 585.688 5.255 1 0 KKAFMN CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccc(F)cc3)CC2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026964367 561829802 /nfs/dbraw/zinc/82/98/02/561829802.db2.gz OTTAZZYTYCBVQV-IUKMQXEJSA-N 0 1 593.643 6.943 1 0 KKAFMN CCCCCCS(=O)(=O)N(CCC)CC[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1 ZINC000026973882 561830693 /nfs/dbraw/zinc/83/06/93/561830693.db2.gz WELUHUKTVXHVBY-ZPJFYFFZSA-N 0 1 592.730 5.026 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(C)cc1 ZINC000026983856 561831655 /nfs/dbraw/zinc/83/16/55/561831655.db2.gz FSPDQNXKMXHLSM-LGXAAPQCSA-N 0 1 623.885 5.737 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(C)cc1 ZINC000026983856 561831656 /nfs/dbraw/zinc/83/16/56/561831656.db2.gz FSPDQNXKMXHLSM-LGXAAPQCSA-N 0 1 623.885 5.737 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(C)cc1 ZINC000026983848 561831660 /nfs/dbraw/zinc/83/16/60/561831660.db2.gz FSPDQNXKMXHLSM-SDDUWZMOSA-N 0 1 623.885 5.737 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(C)cc1 ZINC000026983848 561831661 /nfs/dbraw/zinc/83/16/61/561831661.db2.gz FSPDQNXKMXHLSM-SDDUWZMOSA-N 0 1 623.885 5.737 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSc1ccccc1 ZINC000026989290 561832246 /nfs/dbraw/zinc/83/22/46/561832246.db2.gz ZJDKIZWSAPCYLY-LDVROUIZSA-N 0 1 595.831 5.288 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSc1ccccc1 ZINC000026989290 561832247 /nfs/dbraw/zinc/83/22/47/561832247.db2.gz ZJDKIZWSAPCYLY-LDVROUIZSA-N 0 1 595.831 5.288 1 0 KKAFMN COc1ccc(S(=O)(=O)n2c(CN[C@H](C)c3cccc4ccccc43)cc3ccccc32)cc1OC ZINC000026992110 561832625 /nfs/dbraw/zinc/83/26/25/561832625.db2.gz ZIGXCTDJGNJPEL-HXUWFJFHSA-N 0 1 500.620 5.900 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cc1 ZINC000027196061 561844264 /nfs/dbraw/zinc/84/42/64/561844264.db2.gz GQPZSZRJZWLIAV-KPLXGGORSA-N 0 1 558.675 5.559 1 0 KKAFMN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@](C)(C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027107748 561840577 /nfs/dbraw/zinc/84/05/77/561840577.db2.gz AYVFJDPITYUMTH-XQJOSWFISA-N 0 1 576.803 6.710 1 0 KKAFMN CCc1cc(F)cc(CC)c1NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000027187379 561842779 /nfs/dbraw/zinc/84/27/79/561842779.db2.gz GAICYMPBDZVZOU-MLWJCNIFSA-N 0 1 548.611 5.168 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1 ZINC000027199881 561844940 /nfs/dbraw/zinc/84/49/40/561844940.db2.gz NSVNTHSZOXQBPE-QIJSHVLRSA-N 0 1 544.648 5.169 1 0 KKAFMN CON(C)C(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000027299484 561848747 /nfs/dbraw/zinc/84/87/47/561848747.db2.gz UWBGLUNBUMFOSR-RQOYOAKWSA-N 0 1 677.846 5.147 1 0 KKAFMN CCCN(c1ccccn1)C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000027434606 561859862 /nfs/dbraw/zinc/85/98/62/561859862.db2.gz GRIXLMZYDOACAH-GKFGNYHGSA-N 0 1 518.746 5.512 1 0 KKAFMN CCCN(c1ccccn1)C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000027434606 561859864 /nfs/dbraw/zinc/85/98/64/561859864.db2.gz GRIXLMZYDOACAH-GKFGNYHGSA-N 0 1 518.746 5.512 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027518092 561861833 /nfs/dbraw/zinc/86/18/33/561861833.db2.gz DSHYGKAKVRNSRB-AZGAKELHSA-N 0 1 576.694 5.344 1 0 KKAFMN C[C@H](OC[C@H](c1ccccc1)[NH+]1CCN(CCOCC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518225 561862056 /nfs/dbraw/zinc/86/20/56/561862056.db2.gz VONJODYKTRPIQC-FDDCHVKYSA-N 0 1 548.524 5.262 1 0 KKAFMN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(C4CCCCCC4)n3)c(F)c2)CC1 ZINC000027732983 561881452 /nfs/dbraw/zinc/88/14/52/561881452.db2.gz DGZDBBMLJBXTPJ-JOCHJYFZSA-N 0 1 581.689 5.028 1 0 KKAFMN C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734984 561881785 /nfs/dbraw/zinc/88/17/85/561881785.db2.gz CZWOPRGALMNIIB-OAQYLSRUSA-N 0 1 646.591 6.037 1 0 KKAFMN Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]c(C(=O)[O-])nc3c2)c1 ZINC000027899015 561890650 /nfs/dbraw/zinc/89/06/50/561890650.db2.gz AQWCEAQPXIENDG-WUXOVTSDSA-N 0 1 645.848 7.641 1 0 KKAFMN COc1ccc(OCCCN2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007005 561895754 /nfs/dbraw/zinc/89/57/54/561895754.db2.gz WHCGPGKLISUXOR-MGBGTMOVSA-N 0 1 591.774 5.499 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014275 561897000 /nfs/dbraw/zinc/89/70/00/561897000.db2.gz DKYYISTXVPXPTC-NBNUSJIVSA-N 0 1 610.818 7.180 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014275 561897001 /nfs/dbraw/zinc/89/70/01/561897001.db2.gz DKYYISTXVPXPTC-NBNUSJIVSA-N 0 1 610.818 7.180 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028015679 561897249 /nfs/dbraw/zinc/89/72/49/561897249.db2.gz DYYAUPMKHPMGJX-SQSKQFLFSA-N 0 1 616.822 6.568 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028015679 561897250 /nfs/dbraw/zinc/89/72/50/561897250.db2.gz DYYAUPMKHPMGJX-SQSKQFLFSA-N 0 1 616.822 6.568 1 0 KKAFMN CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028088263 561899596 /nfs/dbraw/zinc/89/95/96/561899596.db2.gz QWGGANWFKFBCQI-NNYJQHGCSA-N 0 1 612.737 6.239 1 0 KKAFMN CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028088263 561899598 /nfs/dbraw/zinc/89/95/98/561899598.db2.gz QWGGANWFKFBCQI-NNYJQHGCSA-N 0 1 612.737 6.239 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095033 561900623 /nfs/dbraw/zinc/90/06/23/561900623.db2.gz OYAJBCNCCCHJQB-NGZLLANBSA-N 0 1 618.838 6.816 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095033 561900624 /nfs/dbraw/zinc/90/06/24/561900624.db2.gz OYAJBCNCCCHJQB-NGZLLANBSA-N 0 1 618.838 6.816 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028097335 561901106 /nfs/dbraw/zinc/90/11/06/561901106.db2.gz CAGZIBHOJDZLGX-WUSDWFAZSA-N 0 1 636.856 7.694 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028097335 561901107 /nfs/dbraw/zinc/90/11/07/561901107.db2.gz CAGZIBHOJDZLGX-WUSDWFAZSA-N 0 1 636.856 7.694 1 0 KKAFMN O=C(c1ccccc1)c1ccc2c(c1[O-])N[C@@H](c1ccccc1)[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)O2 ZINC000028113315 561903432 /nfs/dbraw/zinc/90/34/32/561903432.db2.gz IMGVLHPPOZVQNA-ZJJOJAIXSA-N 0 1 526.636 6.917 1 0 KKAFMN COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)[C@H]2Oc3c(c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000028220632 561907240 /nfs/dbraw/zinc/90/72/40/561907240.db2.gz OSJRZMYTBINECU-SKCUWOTOSA-N 0 1 510.970 5.331 1 0 KKAFMN COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)C2Oc3c(c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000028220632 561907242 /nfs/dbraw/zinc/90/72/42/561907242.db2.gz OSJRZMYTBINECU-SKCUWOTOSA-N 0 1 510.970 5.331 1 0 KKAFMN CN(Cc1c(-c2ccc(NC(=O)NO)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000028241752 561910459 /nfs/dbraw/zinc/91/04/59/561910459.db2.gz NOTUERNGVKFNTG-UHFFFAOYSA-N 0 1 653.711 6.350 1 0 KKAFMN COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028242482 561910502 /nfs/dbraw/zinc/91/05/02/561910502.db2.gz OTZDCDSPVPUTBD-UHFFFAOYSA-N 0 1 644.143 7.501 1 0 KKAFMN CCCN(Cc1cccs1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028330488 561912703 /nfs/dbraw/zinc/91/27/03/561912703.db2.gz RPJVLOPLWRKCGC-UHFFFAOYSA-N 0 1 514.853 8.339 1 0 KKAFMN CCONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028236877 561909941 /nfs/dbraw/zinc/90/99/41/561909941.db2.gz RLRMDPMAKXSSMN-UHFFFAOYSA-N 0 1 681.765 6.912 1 0 KKAFMN COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2Cl)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238331 561910112 /nfs/dbraw/zinc/91/01/12/561910112.db2.gz SAILQDZQYBVBGM-UHFFFAOYSA-N 0 1 644.143 7.501 1 0 KKAFMN CCCN(Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000028460370 561925088 /nfs/dbraw/zinc/92/50/88/561925088.db2.gz PRNUQNNJUMXHQX-UHFFFAOYSA-N 0 1 504.600 7.634 1 0 KKAFMN CCCCN(Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000028464798 561926037 /nfs/dbraw/zinc/92/60/37/561926037.db2.gz QGLIVCVTAZGIAD-UHFFFAOYSA-N 0 1 518.627 8.025 1 0 KKAFMN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000028527303 561932387 /nfs/dbraw/zinc/93/23/87/561932387.db2.gz RMBIIDOEEPBEST-PSXMRANNSA-N 0 1 673.901 5.969 1 0 KKAFMN CC(=O)Nc1ncc([C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)[nH]1 ZINC000028638393 561942220 /nfs/dbraw/zinc/94/22/20/561942220.db2.gz CYIOWOYANHFELG-VWLOTQADSA-N 0 1 552.635 5.902 1 0 KKAFMN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(=O)c2c(O)cc(-c3ccccc3Cl)oc1-2 ZINC000028640130 561942770 /nfs/dbraw/zinc/94/27/70/561942770.db2.gz DCNULJNZQBUQFV-QGZVFWFLSA-N 0 1 519.019 5.404 1 0 KKAFMN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(=O)c2c(O)cc(-c3ccccc3Cl)oc1-2 ZINC000028640923 561943039 /nfs/dbraw/zinc/94/30/39/561943039.db2.gz DCNULJNZQBUQFV-KRWDZBQOSA-N 0 1 519.019 5.404 1 0 KKAFMN CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(SCc3nn[nH]n3)c2)C1=O ZINC000028655857 561946826 /nfs/dbraw/zinc/94/68/26/561946826.db2.gz NNMKTACSCZBLRL-UHFFFAOYSA-N 0 1 588.738 5.272 1 0 KKAFMN O=C(Nc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1N1CCN(c2ccccc2)CC1)c1cnc2ccccc2c1 ZINC000028714006 561954414 /nfs/dbraw/zinc/95/44/14/561954414.db2.gz DQPPGZMDGPIXRQ-JSOSNVBQSA-N 0 1 533.676 5.350 1 0 KKAFMN Cc1ccc(CN2CCC(NC(=O)N(CC(=O)C(C)(C)O)Cc3ccc(-c4ccc(F)cc4)cc3)CC2)cc1 ZINC000028874132 561975080 /nfs/dbraw/zinc/97/50/80/561975080.db2.gz NNJUFGDODAVKHV-UHFFFAOYSA-N 0 1 531.672 5.317 1 0 KKAFMN C[C@H]1CN(CC2CC2)CCN1C(=O)OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879397 561976292 /nfs/dbraw/zinc/97/62/92/561976292.db2.gz ZIDJCKAKCGREPA-IIZLTXOPSA-N 0 1 608.151 5.988 1 0 KKAFMN O=C1NC(=Cc2ccc(CN3CCN(c4ccccc4)CC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899274 561979645 /nfs/dbraw/zinc/97/96/45/561979645.db2.gz FYZDOSGFCQEGGC-SXBRIOAWSA-N 0 1 530.628 5.898 1 0 KKAFMN C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)[nH]1 ZINC000028953904 561982618 /nfs/dbraw/zinc/98/26/18/561982618.db2.gz NFMZQAXMFQBLNU-QGZVFWFLSA-N 0 1 527.978 6.018 1 0 KKAFMN Nc1ccccc1NC(=O)c1ccc([C@@H](C(=O)Nc2ccc3ccccc3c2)N2CCN(CCc3ccccc3)CC2)cc1 ZINC000028976606 561987038 /nfs/dbraw/zinc/98/70/38/561987038.db2.gz YBTFCJQIFFETRP-DHUJRADRSA-N 0 1 583.736 6.214 1 0 KKAFMN NC(=O)c1cccc(Nc2nccc(-c3nc(C4CC4)[nH]c3-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)n2)c1 ZINC000029043720 561992018 /nfs/dbraw/zinc/99/20/18/561992018.db2.gz DHKLNHJGUIVJOP-UHFFFAOYSA-N 0 1 564.049 6.088 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(CC6CC6)oc5cc4CC3)n2C)n1 ZINC000029126943 561999224 /nfs/dbraw/zinc/99/92/24/561999224.db2.gz KFMDKMLEGDZMCX-UHFFFAOYSA-N 0 1 538.721 6.015 1 0 KKAFMN Cc1nc2cc3c(c(C)c2o1)CCN([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127036 561999397 /nfs/dbraw/zinc/99/93/97/561999397.db2.gz COKSKIXACCXTRS-LJQANCHMSA-N 0 1 526.710 6.068 1 0 KKAFMN CCc1nc2cc3c(c(C)c2o1)CCN(CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127080 561999433 /nfs/dbraw/zinc/99/94/33/561999433.db2.gz HGTGAIQIJPCZMF-UHFFFAOYSA-N 0 1 512.683 5.544 1 0 KKAFMN COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@H](O)CN3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000029130403 562002495 /nfs/dbraw/zinc/00/24/95/562002495.db2.gz VGQVERFTHHEIEQ-AKGWNBJDSA-N 0 1 528.718 5.494 1 0 KKAFMN O=C(c1ccc2oc(CN3CCC[C@@H](n4cc(C(F)(F)F)ccc4=O)C3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000029216201 562006441 /nfs/dbraw/zinc/00/64/41/562006441.db2.gz BGUKJIRWJBBKFX-HHHXNRCGSA-N 0 1 634.655 6.212 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 ZINC000029320341 562012860 /nfs/dbraw/zinc/01/28/60/562012860.db2.gz IELWQDWPXLFYSD-NDEPHWFRSA-N 0 1 546.693 5.136 1 0 KKAFMN COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CNCCc4ccccn4)n3c2=O)c1 ZINC000029468801 562025108 /nfs/dbraw/zinc/02/51/08/562025108.db2.gz KHDCNGJMDSMBGX-UHFFFAOYSA-N 0 1 553.682 5.692 1 0 KKAFMN Cc1ccccc1C1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)CC1 ZINC000029547186 562030226 /nfs/dbraw/zinc/03/02/26/562030226.db2.gz DYUQPTMSRRBQRV-NDEPHWFRSA-N 0 1 511.493 6.383 1 0 KKAFMN Cc1c2c(c(C)c(O)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029563520 562033776 /nfs/dbraw/zinc/03/37/76/562033776.db2.gz MDPULBLYZQWTKD-PMVMPFDFSA-N 0 1 524.683 5.010 1 0 KKAFMN Brc1cc2nc(-c3ccc4nc(-c5ccc6[nH]cnc6c5)[nH]c4c3)[nH]c2cc1Br ZINC000034001794 562038009 /nfs/dbraw/zinc/03/80/09/562038009.db2.gz NJKUVMJEFAUWFO-UHFFFAOYSA-N 0 1 508.177 6.175 1 0 KKAFMN Brc1cc2nc(-c3ccc4[nH]c(-c5ccc6nc[nH]c6c5)nc4c3)[nH]c2cc1Br ZINC000034001794 562038011 /nfs/dbraw/zinc/03/80/11/562038011.db2.gz NJKUVMJEFAUWFO-UHFFFAOYSA-N 0 1 508.177 6.175 1 0 KKAFMN Brc1cc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2cc1Br ZINC000034001794 562038012 /nfs/dbraw/zinc/03/80/12/562038012.db2.gz NJKUVMJEFAUWFO-UHFFFAOYSA-N 0 1 508.177 6.175 1 0 KKAFMN CCCN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036089468 562047092 /nfs/dbraw/zinc/04/70/92/562047092.db2.gz YCWWVMILONBSIH-UHFFFAOYSA-N 0 1 508.453 5.896 1 0 KKAFMN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(NS(=O)(=O)CCN4CCCC4)cc3)nnc2c1 ZINC000037858301 562061876 /nfs/dbraw/zinc/06/18/76/562061876.db2.gz PXYPMYUQQFJBDW-UHFFFAOYSA-N 0 1 516.671 5.198 1 0 KKAFMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3[nH]2)cc1)c1ccccc1Cl ZINC000038147886 562065788 /nfs/dbraw/zinc/06/57/88/562065788.db2.gz LOHXCMOSJQRMDT-UHFFFAOYSA-N 0 1 506.993 6.806 1 0 KKAFMN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCN(CCCN4CCOCC4)CC3)ccc2c1 ZINC000038149726 562066121 /nfs/dbraw/zinc/06/61/21/562066121.db2.gz CXZNETVGABHSHU-UHFFFAOYSA-N 0 1 615.203 5.156 1 0 KKAFMN C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(NC(=O)OC(C)(C)C)c2[nH]1 ZINC000038157617 562069286 /nfs/dbraw/zinc/06/92/86/562069286.db2.gz SPIMJNQRNKJTCD-CYBMUJFWSA-N 0 1 540.974 5.185 1 0 KKAFMN O=C(O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000040380300 562073434 /nfs/dbraw/zinc/07/34/34/562073434.db2.gz IADMULLWDVKTFY-NRZVBSRUSA-N 0 1 529.684 6.351 1 0 KKAFMN COc1ccc2c(c1)[C@@H]1[C@@H](CC[N@@H+]1CCN(C)C)Cn1c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c1-2 ZINC000040420214 562075669 /nfs/dbraw/zinc/07/56/69/562075669.db2.gz VODSKNZEQBMLAF-ZTOMLWHTSA-N 0 1 501.671 6.001 1 0 KKAFMN COc1ccc2c(c1)[C@@H]1[C@@H](CC[N@H+]1CCN(C)C)Cn1c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c1-2 ZINC000040420214 562075671 /nfs/dbraw/zinc/07/56/71/562075671.db2.gz VODSKNZEQBMLAF-ZTOMLWHTSA-N 0 1 501.671 6.001 1 0 KKAFMN CCCCC1(CCCC)OC(c2cc(OC)c(OC)c(OC)c2)=NN1C(=O)NC(=O)c1c(F)cccc1F ZINC000042805466 562089182 /nfs/dbraw/zinc/08/91/82/562089182.db2.gz UVMKNZQZMCCEDQ-UHFFFAOYSA-N 0 1 533.572 5.611 1 0 KKAFMN C=CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040951394 562085999 /nfs/dbraw/zinc/08/59/99/562085999.db2.gz VGJPOVXZFZAYNR-PMERELPUSA-N 0 1 519.636 5.451 1 0 KKAFMN O=C(Nc1ccccc1)N1CCC[C@](c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000040976261 562087163 /nfs/dbraw/zinc/08/71/63/562087163.db2.gz WSPJCXDAFUSHQL-PMERELPUSA-N 0 1 532.526 6.927 1 0 KKAFMN CS(=O)(=O)CCNCc1coc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)c1 ZINC000042201866 562087458 /nfs/dbraw/zinc/08/74/58/562087458.db2.gz UJYWZVPEMTYMBL-UHFFFAOYSA-N 0 1 528.634 5.347 1 0 KKAFMN CS(=O)(=O)CCNCc1ccoc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000042201868 562087538 /nfs/dbraw/zinc/08/75/38/562087538.db2.gz ZBBOYUJFPDIEDF-UHFFFAOYSA-N 0 1 528.634 5.347 1 0 KKAFMN CC(C)=CCC/C(C)=C/Cc1c(O)c2c(=O)c3c(oc2c2c1OC(C)(C)C=C2)-c1c2c(c(O)cc1O)OC(C)(C)[C@H]2C3 ZINC000042803161 562088079 /nfs/dbraw/zinc/08/80/79/562088079.db2.gz UJHMTIUPFDVYQA-VLBBBODESA-N 0 1 570.682 7.807 1 0 KKAFMN CC(C)=CCC/C(C)=C/Cc1c(=O)c2c(O)c3c(oc-2c2c1OC(C)(C)C=C2)-c1c2c(c(O)cc1O)OC(C)(C)[C@H]2C3 ZINC000042803161 562088081 /nfs/dbraw/zinc/08/80/81/562088081.db2.gz UJHMTIUPFDVYQA-VLBBBODESA-N 0 1 570.682 7.807 1 0 KKAFMN COc1cc(CCC(=O)C=C(O)CCC[C@H](CCc2cccc(O)c2)Cc2cccc(O)c2)ccc1O ZINC000085627104 560068932 /nfs/dbraw/zinc/06/89/32/560068932.db2.gz OUSYVPYGJVGWBZ-JOCHJYFZSA-N 0 1 504.623 5.935 1 0 biogenic,in-vitro KKAFMN COc1ccc2c(c1)n(Cc1cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c1)c1c2C[N@H+](CCC(=O)[O-])CC1 ZINC000043071713 562645550 /nfs/dbraw/zinc/64/55/50/562645550.db2.gz LLZPGNOIRWPCIK-WEVVVXLNSA-N 0 1 552.074 6.903 1 0 KKAFMN O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000043121104 562646143 /nfs/dbraw/zinc/64/61/43/562646143.db2.gz NETJJPDGDMKRQA-UHFFFAOYSA-N 0 1 532.590 7.391 1 0 KKAFMN CC(C)[C@H]1C(=O)Nc2ccc(NC3CCCCCC3)cc2-c2nc3cc(C(=O)N4CCCN(C)CC4)ccc3n21 ZINC000043131891 562646356 /nfs/dbraw/zinc/64/63/56/562646356.db2.gz MZUNJRMUTJBHGB-LJAQVGFWSA-N 0 1 542.728 5.765 1 0 in-vitro KKAFMN C[N@H+](C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc([O-])c(Cl)c(Cl)c4)c32)C1)C(C)(C)C ZINC000043203720 562647008 /nfs/dbraw/zinc/64/70/08/562647008.db2.gz IMDIVOQCLUSJJU-AATRIKPKSA-N 0 1 520.486 5.619 1 0 KKAFMN C[N@@H+](C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc([O-])c(Cl)c(Cl)c4)c32)C1)C(C)(C)C ZINC000043203720 562647009 /nfs/dbraw/zinc/64/70/09/562647009.db2.gz IMDIVOQCLUSJJU-AATRIKPKSA-N 0 1 520.486 5.619 1 0 KKAFMN C[C@@H]1CN(C(=O)OC2([C@@H]3CCC[C@H](c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@@H](C)N1 ZINC000043589945 562650135 /nfs/dbraw/zinc/65/01/35/562650135.db2.gz UTHMUINLECVICV-UEUXDIAVSA-N 0 1 550.096 5.115 1 0 KKAFMN CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4ccc(C(F)(F)F)cc4[nH]3)[C@@H]2SC1 ZINC000043640897 562650397 /nfs/dbraw/zinc/65/03/97/562650397.db2.gz JKJMTAOPHUTCNX-YWEHKCAJSA-N 0 1 622.625 5.427 1 0 KKAFMN COc1ccc2cc1-c1cc(ccc1O)C(=O)[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000044305936 562653611 /nfs/dbraw/zinc/65/36/11/562653611.db2.gz XCZPVAXCZZECDL-FOPBOCKXSA-N 0 1 622.718 6.080 1 0 in-vivo KKAFMN CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000044351456 562654678 /nfs/dbraw/zinc/65/46/78/562654678.db2.gz MRMMGDLQIQYRDA-GAZVIPHGSA-N 0 1 590.798 5.610 1 0 KKAFMN CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000044418477 562657276 /nfs/dbraw/zinc/65/72/76/562657276.db2.gz IQJNWNIJNCRMPS-XAGDYJCDSA-N 0 1 571.831 6.835 1 0 KKAFMN CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000044418477 562657277 /nfs/dbraw/zinc/65/72/77/562657277.db2.gz IQJNWNIJNCRMPS-XAGDYJCDSA-N 0 1 571.831 6.835 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000044459902 562657923 /nfs/dbraw/zinc/65/79/23/562657923.db2.gz VTWWRKFUHCSCEW-UHFFFAOYSA-N 0 1 608.690 6.115 3 0 in-vitro KKAFMN COc1ccc(NC(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)cc1 ZINC000045167801 562658102 /nfs/dbraw/zinc/65/81/02/562658102.db2.gz HRHKQHLRQQKACT-UHFFFAOYSA-N 0 1 502.496 7.568 1 0 KKAFMN O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCCC1)c1cc(-c2ccncc2)c(-c2cccc(O)c2)o1 ZINC000045191419 562658551 /nfs/dbraw/zinc/65/85/51/562658551.db2.gz VQBDLCIGFKQZLG-RUZDIDTESA-N 0 1 521.539 6.300 1 0 KKAFMN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6cnccn6)CC5)cc4)s3)nc2c1 ZINC000045193131 562658682 /nfs/dbraw/zinc/65/86/82/562658682.db2.gz OZUMGQMUGXLLGC-UHFFFAOYSA-N 0 1 520.584 6.089 1 0 KKAFMN O=C1O[C@@](c2ccccc2)(c2ccccn2)CN1C1CCN(Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC000045302963 562660742 /nfs/dbraw/zinc/66/07/42/562660742.db2.gz VNQUMICVOTUFIM-PMERELPUSA-N 0 1 513.041 5.886 1 0 KKAFMN Cc1cc2[nH]c(-c3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)s3)nc2cc1Cl ZINC000048307306 562662920 /nfs/dbraw/zinc/66/29/20/562662920.db2.gz BJUIFCWJLWFBGQ-UHFFFAOYSA-N 0 1 528.509 5.849 1 0 KKAFMN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CCN2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000048307333 562662926 /nfs/dbraw/zinc/66/29/26/562662926.db2.gz BZORWBBHTKRSGC-RUZDIDTESA-N 0 1 546.202 6.547 1 0 KKAFMN COc1ccc(NC(=O)c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)cc1N1CCN(C)CC1 ZINC000048307371 562663071 /nfs/dbraw/zinc/66/30/71/562663071.db2.gz BOSPYOKOZDHVKW-UHFFFAOYSA-N 0 1 552.622 6.509 1 0 KKAFMN O=S(=O)([N-]c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000049052839 562663843 /nfs/dbraw/zinc/66/38/43/562663843.db2.gz NSCPFOBOWIVCSE-UHFFFAOYSA-N 0 1 521.527 5.590 1 0 KKAFMN O=C1Nc2ccc(Br)cc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049072417 562664192 /nfs/dbraw/zinc/66/41/92/562664192.db2.gz ZHTRZMVAQXYXBW-KECVVUEUSA-N 0 1 501.424 5.854 1 0 KKAFMN CC(=O)c1ccc(N2CCN(CC[C@]3(c4ccc(Cl)c(Cl)c4)COCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000049605022 562665203 /nfs/dbraw/zinc/66/52/03/562665203.db2.gz ORFLLYVBWQYOCA-WJOKGBTCSA-N 0 1 566.529 5.776 1 0 KKAFMN CNC(=O)Cc1ccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)cc1 ZINC000049605748 562666276 /nfs/dbraw/zinc/66/62/76/562666276.db2.gz WPIAKJHPTWBSTG-UHFFFAOYSA-N 0 1 528.534 6.457 1 0 KKAFMN CC(=O)N(C)c1ccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)cc1 ZINC000049605724 562666308 /nfs/dbraw/zinc/66/63/08/562666308.db2.gz TXQWPJMLULAKIC-UHFFFAOYSA-N 0 1 528.534 7.151 1 0 KKAFMN O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2cccnc21)N(CCN1CCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049625998 562666961 /nfs/dbraw/zinc/66/69/61/562666961.db2.gz ULACVBOQGBGRGZ-UHFFFAOYSA-N 0 1 674.714 7.270 1 0 KKAFMN COc1cc(C(=O)N2CCO[C@](CCN3CCc4c(c5ccccc5n4C)C3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049626823 562667399 /nfs/dbraw/zinc/66/73/99/562667399.db2.gz VKBOHUOLSFEMDO-UMSFTDKQSA-N 0 1 638.592 6.327 1 0 KKAFMN COc1ccc([C@H](CCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049677761 562668338 /nfs/dbraw/zinc/66/83/38/562668338.db2.gz XWEJKOCDJCMFCN-YWEHKCAJSA-N 0 1 674.845 5.354 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1OCC=C(C)C ZINC000049694817 562669827 /nfs/dbraw/zinc/66/98/27/562669827.db2.gz IFEIUFUMDATZMQ-KAODMTDESA-N 0 1 616.663 6.443 1 0 KKAFMN C[C@@H](COc1cccc(CC(=O)[O-])c1)C[N@H+](Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000049695102 562670183 /nfs/dbraw/zinc/67/01/83/562670183.db2.gz DMMRWDJRLGTEMM-XMMPIXPASA-N 0 1 596.089 8.335 1 0 KKAFMN O=C(Nc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000049722597 562672297 /nfs/dbraw/zinc/67/22/97/562672297.db2.gz QBCBCLXHVIYSNK-NQVJXQQZSA-N 0 1 644.728 5.594 1 0 KKAFMN C[C@H](CCOc1cccc(C(C)(C)C(=O)[O-])c1)[N@H+](Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000049723274 562673169 /nfs/dbraw/zinc/67/31/69/562673169.db2.gz DWBDSQMGSRVGMI-RUZDIDTESA-N 0 1 624.143 9.213 1 0 KKAFMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)-c3cc(-c5nc(-c6ccc(OC)cc6)[nH]c5-c5ccccc5)ccc3C4=O)[nH]2)cc1 ZINC000049762434 562676546 /nfs/dbraw/zinc/67/65/46/562676546.db2.gz HHSBTKPTBVVXSV-UHFFFAOYSA-N 0 1 676.776 10.363 1 0 KKAFMN COc1ccc(-c2nc(-c3ccc4c(c3)-c3cc(-c5nc(-c6ccc(OC)cc6)[nH]c5-c5ccccc5)ccc3C4=O)c(-c3ccccc3)[nH]2)cc1 ZINC000049762434 562676547 /nfs/dbraw/zinc/67/65/47/562676547.db2.gz HHSBTKPTBVVXSV-UHFFFAOYSA-N 0 1 676.776 10.363 1 0 KKAFMN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccoc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777496 562680086 /nfs/dbraw/zinc/68/00/86/562680086.db2.gz DWAKMFFRASTKTH-HKBQPEDESA-N 0 1 612.840 6.171 1 0 KKAFMN CN1CCN(c2ccc(-c3cnn4c3nccc4-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3F)cn2)CC1 ZINC000049777801 562680550 /nfs/dbraw/zinc/68/05/50/562680550.db2.gz PIGVLAUTQMIRBH-UHFFFAOYSA-N 0 1 575.570 5.620 1 0 KKAFMN Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000049780158 562681401 /nfs/dbraw/zinc/68/14/01/562681401.db2.gz ZHRKDWCBKIOLKI-WOFUPGFCSA-N 0 1 702.856 5.663 1 0 in-vivo KKAFMN Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(NCCN4CCN(C)CC4)ncn3)c2)c1 ZINC000049780460 562681759 /nfs/dbraw/zinc/68/17/59/562681759.db2.gz BLOGCIUNNJYXBR-UHFFFAOYSA-N 0 1 575.721 5.088 1 0 KKAFMN CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN([C@@H](Cc4ccccc4)c4ccccc4)[C@@H]2N3C)cc1 ZINC000049781312 562682934 /nfs/dbraw/zinc/68/29/34/562682934.db2.gz 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562689000 /nfs/dbraw/zinc/68/90/00/562689000.db2.gz GKQYYVGEGDRSBE-PKTZIBPZSA-N 0 1 637.209 7.854 1 0 KKAFMN Cc1c(CSc2nc3cc(-c4ccc5nc(SCc6nccc(OCC(F)(F)F)c6C)[nH]c5c4)ccc3[nH]2)nccc1OCC(F)(F)F ZINC000049889249 562691941 /nfs/dbraw/zinc/69/19/41/562691941.db2.gz YCZMQPPIHUPPQH-UHFFFAOYSA-N 0 1 704.722 8.980 1 0 KKAFMN Cc1c(CSc2nc3ccc(-c4ccc5nc(SCc6nccc(OCC(F)(F)F)c6C)[nH]c5c4)cc3[nH]2)nccc1OCC(F)(F)F ZINC000049889249 562691942 /nfs/dbraw/zinc/69/19/42/562691942.db2.gz YCZMQPPIHUPPQH-UHFFFAOYSA-N 0 1 704.722 8.980 1 0 KKAFMN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 ZINC000053243610 562696779 /nfs/dbraw/zinc/69/67/79/562696779.db2.gz WYOPPQODGSRNAW-PMERELPUSA-N 0 1 610.821 5.283 1 0 KKAFMN CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(OC(F)(F)F)cc1 ZINC000058520224 562698504 /nfs/dbraw/zinc/69/85/04/562698504.db2.gz FKLHVDCNUGKVGO-UHFFFAOYSA-N 0 1 557.613 6.147 1 0 KKAFMN 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C[C@H]1CN(c2ncc(C(=O)NCC3CCCCC3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079083 562710590 /nfs/dbraw/zinc/71/05/90/562710590.db2.gz MTDWSEHSHFRGKO-QFIPXVFZSA-N 0 1 558.598 5.874 1 0 KKAFMN O=C(NCc1ccc(F)c(F)c1)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000066099298 562711054 /nfs/dbraw/zinc/71/10/54/562711054.db2.gz FMYKWJDOTAPBPQ-UHFFFAOYSA-N 0 1 574.503 5.383 1 0 KKAFMN Cc1c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1 ZINC000066113798 562712238 /nfs/dbraw/zinc/71/22/38/562712238.db2.gz MVKIRPRKXWSIBF-UHFFFAOYSA-N 0 1 519.571 5.583 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000066128970 562712797 /nfs/dbraw/zinc/71/27/97/562712797.db2.gz IMPBBHMDJCWLCX-HOOSLVGPSA-N 0 1 612.601 5.208 3 0 KKAFMN Fc1ccc2nc(NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc(NCc3ccco3)c2c1 ZINC000066138741 562713342 /nfs/dbraw/zinc/71/33/42/562713342.db2.gz FEZAMPULXRHPAK-UHFFFAOYSA-N 0 1 543.474 6.295 1 0 KKAFMN 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0 1 537.708 5.415 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072106408 562720996 /nfs/dbraw/zinc/72/09/96/562720996.db2.gz MAJOFQZRYFKJEF-UHFFFAOYSA-N 0 1 528.100 5.752 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5cc(C(F)(F)F)ccc5c4O)c3)cc2C(F)(F)F)CC1 ZINC000072112788 562722227 /nfs/dbraw/zinc/72/22/27/562722227.db2.gz WYUZMROWCYDDMT-UHFFFAOYSA-N 0 1 659.631 6.516 3 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072127065 562725667 /nfs/dbraw/zinc/72/56/67/562725667.db2.gz DDSCLAZWRCKZSX-FYQCMVGJSA-N 0 1 648.704 5.199 3 0 KKAFMN CC(C)(C)Nc1nc(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000072128879 562726400 /nfs/dbraw/zinc/72/64/00/562726400.db2.gz ZHHMOMIROZTTME-UHFFFAOYSA-N 0 1 688.702 5.977 1 0 KKAFMN CCCNc1nc(NCCC)[nH+]c(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)n1 ZINC000072129816 562726412 /nfs/dbraw/zinc/72/64/12/562726412.db2.gz NGUSPKKSUHXHRG-UHFFFAOYSA-N 0 1 660.648 5.200 1 0 KKAFMN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)CC(=O)[N-]S3(=O)=O)CC1 ZINC000072129905 562726577 /nfs/dbraw/zinc/72/65/77/562726577.db2.gz WZXVNTZDYONMKR-BETPUDKTSA-N 0 1 651.833 5.978 1 0 KKAFMN Cc1cccnc1[C@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072136538 562728000 /nfs/dbraw/zinc/72/80/00/562728000.db2.gz WFTORSOXVDSRQK-MHZLTWQESA-N 0 1 530.471 6.175 3 0 KKAFMN COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(CC2=Cc3ccccc3OC2(C)C)CC1 ZINC000072142639 562729572 /nfs/dbraw/zinc/72/95/72/562729572.db2.gz LDMAQZOMRUIAML-UHFFFAOYSA-N 0 1 517.453 5.233 1 0 KKAFMN CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1 ZINC000072176249 562731532 /nfs/dbraw/zinc/73/15/32/562731532.db2.gz AEUDFMRQSRTMSH-UHFFFAOYSA-N 0 1 667.739 6.584 1 0 KKAFMN 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601.428 5.979 1 0 KKAFMN Cc1cc(=O)oc2cc(OCCCCCN3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271839 562793910 /nfs/dbraw/zinc/79/39/10/562793910.db2.gz BGOVDTOQIRZTJP-UHFFFAOYSA-N 0 1 568.718 5.334 1 0 KKAFMN O=C(CN1CCN(CCCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271834 562793931 /nfs/dbraw/zinc/79/39/31/562793931.db2.gz XAPQIBLRQAOZQR-UHFFFAOYSA-N 0 1 568.718 5.416 1 0 KKAFMN Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C(=O)CN(C)C)CC1 ZINC000096272777 562794238 /nfs/dbraw/zinc/79/42/38/562794238.db2.gz ADAQBVKANMBBGO-UHFFFAOYSA-N 0 1 643.254 6.163 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302066 562796275 /nfs/dbraw/zinc/79/62/75/562796275.db2.gz NGQNBQOIRABSGM-KZDQMGDASA-N 0 1 586.796 6.561 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302066 562796276 /nfs/dbraw/zinc/79/62/76/562796276.db2.gz NGQNBQOIRABSGM-KZDQMGDASA-N 0 1 586.796 6.561 1 0 KKAFMN CN(C[C@@H](CCN1CCC(O)(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903706 562797997 /nfs/dbraw/zinc/79/79/97/562797997.db2.gz SMILDXPOLJCZDH-CBWMPJGPSA-N 0 1 623.646 7.114 1 0 KKAFMN CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903987 562798083 /nfs/dbraw/zinc/79/80/83/562798083.db2.gz VXMVWENUTABJOM-YAFDPGIASA-N 0 1 582.711 5.915 1 0 KKAFMN CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903987 562798084 /nfs/dbraw/zinc/79/80/84/562798084.db2.gz VXMVWENUTABJOM-YAFDPGIASA-N 0 1 582.711 5.915 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5c(OC)ccc(F)c5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905566 562798546 /nfs/dbraw/zinc/79/85/46/562798546.db2.gz XRTQNYWTXVCCTQ-NVNQWMTLSA-N 0 1 540.607 5.313 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(F)c(Cl)cc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905554 562798555 /nfs/dbraw/zinc/79/85/55/562798555.db2.gz KSWBCUOXMGCTEH-YROCEMFQSA-N 0 1 545.026 5.958 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5ccccc5OC)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905557 562798557 /nfs/dbraw/zinc/79/85/57/562798557.db2.gz UXKMNUBPXKANEG-ASAYFREZSA-N 0 1 504.627 5.035 1 0 KKAFMN COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)CN1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907735 562799200 /nfs/dbraw/zinc/79/92/00/562799200.db2.gz IZDKLOCKHFWMCL-QNLPTKCRSA-N 0 1 588.546 5.445 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(OC)ccc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910302 562799932 /nfs/dbraw/zinc/79/99/32/562799932.db2.gz YDWKTZYLLSKDRP-LVYXRRIPSA-N 0 1 522.617 5.174 1 0 KKAFMN CSc1nc2c(cnn2C[C@H](C)c2ccccc2)c(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Br)c2)n1 ZINC000096916881 562801272 /nfs/dbraw/zinc/80/12/72/562801272.db2.gz MVGQVUFEKIVQTO-NRFANRHFSA-N 0 1 624.609 5.637 1 0 KKAFMN CCOC(=O)Nc1cc2nc(-c3ccc(Br)cc3)[nH]c2c(NC(=O)c2ccccc2OC)c1 ZINC000096928355 562802901 /nfs/dbraw/zinc/80/29/01/562802901.db2.gz OTKFLBXSJQBWPW-UHFFFAOYSA-N 0 1 509.360 5.822 1 0 KKAFMN CCCc1nc2c(cc(C(=O)NCCC[NH+]3CCOCC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000096935314 562804069 /nfs/dbraw/zinc/80/40/69/562804069.db2.gz SGTORJCNPYSWIC-UHFFFAOYSA-N 0 1 554.691 5.163 1 0 KKAFMN O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000098067399 562805166 /nfs/dbraw/zinc/80/51/66/562805166.db2.gz RTADBSPAHNCVJT-VIJSPRBVSA-N 0 1 552.488 5.474 1 0 KKAFMN O=C1[C@H]2[C@H](C(=O)N1CCCN1CCN(CCCN3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)CC1)C1c3ccccc3C2c2ccccc21 ZINC000098085231 562805800 /nfs/dbraw/zinc/80/58/00/562805800.db2.gz NIYHRHQXPVSRCC-JPVFTYTRSA-N 0 1 716.882 5.169 1 0 KKAFMN CN(C)CCNc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000103157989 562814533 /nfs/dbraw/zinc/81/45/33/562814533.db2.gz XZZJHGHAJURJOE-UHFFFAOYSA-N 0 1 525.707 5.519 1 0 KKAFMN CC(=O)O[C@H]1C[C@]2(CO)[C@@H]3CC[C@]4(C)[C@@H](C)C([O-])=CC(=O)[C@@H]4[C@]3(C)CC[C@@]2(C)[C@H]2CC(C)(C)CC[C@@]21C ZINC000103162291 562814616 /nfs/dbraw/zinc/81/46/16/562814616.db2.gz LGNUPYROIAIKBW-PZJJUSSYSA-N 0 1 514.747 6.150 1 0 KKAFMN Cc1ccc(NC(=S)Nc2cc3c(cc2N2CCN(C)CC2)ncnc3Sc2nnc(-c3cccnc3)o2)cc1 ZINC000103178998 562815190 /nfs/dbraw/zinc/81/51/90/562815190.db2.gz GIJOMQBGXSDTNP-UHFFFAOYSA-N 0 1 569.720 5.095 1 0 KKAFMN Cc1ccc(OCc2ccccc2-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cs2)cc1 ZINC000103187449 562815482 /nfs/dbraw/zinc/81/54/82/562815482.db2.gz FQYLTAWPUALPQR-UHFFFAOYSA-N 0 1 545.752 7.605 1 0 KKAFMN COc1ccccc1N1CCN(C[C@H](O)CSc2nnc(-c3ccc(Br)cc3)c3ccccc32)CC1 ZINC000103189406 562815611 /nfs/dbraw/zinc/81/56/11/562815611.db2.gz HYPKAOYIUDBAJD-QFIPXVFZSA-N 0 1 565.537 5.343 1 0 KKAFMN NC(=O)[C@]1(c2cc(CF)c(F)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227235 562817916 /nfs/dbraw/zinc/81/79/16/562817916.db2.gz WPKSRBNQSLEJKY-SCDHDWPVSA-N 0 1 516.419 6.137 1 0 KKAFMN COC(=O)N[C@]1(c2ccc(Cl)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103228778 562818019 /nfs/dbraw/zinc/81/80/19/562818019.db2.gz XFUJUIWWNICISD-MZNYFNKISA-N 0 1 530.883 7.010 1 0 KKAFMN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CCN(Cc1ccccc1)C2 ZINC000103239086 562819300 /nfs/dbraw/zinc/81/93/00/562819300.db2.gz IJIDVLDTQYWFHT-UHFFFAOYSA-N 0 1 534.538 6.975 1 0 KKAFMN CC[N@@H+](CCCCCCOc1ccc(-c2coc3cc([O-])cc(O)c3c2=O)cc1)Cc1ccccc1OC ZINC000103251921 562820367 /nfs/dbraw/zinc/82/03/67/562820367.db2.gz HDOGNYZGWBAVKL-UHFFFAOYSA-N 0 1 517.622 6.341 1 0 KKAFMN O=S(=O)(CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)[N-]c1ccccn1 ZINC000114978807 562828559 /nfs/dbraw/zinc/82/85/59/562828559.db2.gz HUFJZENUEXUKST-SANMLTNESA-N 0 1 512.075 5.255 1 0 KKAFMN Cc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(N)n[nH]c3c2)c(Cl)[nH]1 ZINC000115471376 562828932 /nfs/dbraw/zinc/82/89/32/562828932.db2.gz CEGWMFKWVJHJJM-QFIPXVFZSA-N 0 1 534.451 5.934 1 0 KKAFMN COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)C=Cc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1 ZINC000115473770 562828934 /nfs/dbraw/zinc/82/89/34/562828934.db2.gz GLCBWRQIUCCILC-PZVJUEDKSA-N 0 1 603.470 5.651 1 0 in-vitro KKAFMN Cc1ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)ncc2C1 ZINC000118604875 562830466 /nfs/dbraw/zinc/83/04/66/562830466.db2.gz UZICUOYVCKOCLZ-HSZRJFAPSA-N 0 1 611.713 5.245 1 0 KKAFMN Cc1cc2nc(-c3c(F)c(F)c(-c4ccc(NC(=O)[C@@H]5CCC[NH2+]5)cc4)c(F)c3F)[nH]c2c(C(=O)[O-])c1 ZINC000141393601 562833594 /nfs/dbraw/zinc/83/35/94/562833594.db2.gz JSZHCTVLONBKEM-HNNXBMFYSA-N 0 1 512.463 5.150 1 0 KKAFMN COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/CN(C)C ZINC000145264401 562836950 /nfs/dbraw/zinc/83/69/50/562836950.db2.gz YGVOTPAIXFJINL-AFPJDJCSSA-N 0 1 553.997 6.107 1 0 KKAFMN COc1cc(C(=O)N[C@H]2CCN(C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145962322 562837830 /nfs/dbraw/zinc/83/78/30/562837830.db2.gz MSULTFPSAMYWKE-HNNXBMFYSA-N 0 1 590.002 5.565 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147357757 562839264 /nfs/dbraw/zinc/83/92/64/562839264.db2.gz JNOOMJGFUMIRDK-YUDZBJCPSA-N 0 1 618.226 6.915 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCCCC3)nc21 ZINC000148124331 562840261 /nfs/dbraw/zinc/84/02/61/562840261.db2.gz RFSOJNOBTFVKCT-UHFFFAOYSA-N 0 1 590.654 6.329 1 0 KKAFMN C[C@@H](c1ccc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3NC3CCOCC3)c2c1)c1cc(F)cc(F)c1 ZINC000148686825 562841661 /nfs/dbraw/zinc/84/16/61/562841661.db2.gz DPQSQXGBMAXUAP-FQEVSTJZSA-N 0 1 574.676 5.588 1 0 KKAFMN CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NCc3ccccc3)c2)CC1 ZINC000148804848 562841839 /nfs/dbraw/zinc/84/18/39/562841839.db2.gz FHBOTJCJFOSNER-UHFFFAOYSA-N 0 1 566.656 6.048 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584696 562845742 /nfs/dbraw/zinc/84/57/42/562845742.db2.gz NVFGXEZAWHBUBK-PZSMLTKBSA-N 0 1 757.877 5.958 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585606 562845785 /nfs/dbraw/zinc/84/57/85/562845785.db2.gz JWXUCBMYUIXWKS-PZSMLTKBSA-N 0 1 759.868 6.392 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5Cl)cc4)nc(N(C)C)n3)ccc12 ZINC000150586628 562845836 /nfs/dbraw/zinc/84/58/36/562845836.db2.gz MXBBIXMSZWRKRS-WNOXWKSXSA-N 0 1 810.768 7.560 1 0 KKAFMN CN1CCN(c2cccc(F)c2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606276 562847882 /nfs/dbraw/zinc/84/78/82/562847882.db2.gz HRPFCELYJVARIK-KAODMTDESA-N 0 1 664.892 5.428 1 0 KKAFMN CN1CCN(c2cc(F)ccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606257 562847893 /nfs/dbraw/zinc/84/78/93/562847893.db2.gz JQVJIZRMTCKEHP-AFPLUKJUSA-N 0 1 664.892 5.428 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4c3)cc2)c[nH]1)C(C)C ZINC000150607148 562848051 /nfs/dbraw/zinc/84/80/51/562848051.db2.gz OEXZPKYNJLXYDG-YDPTYEFTSA-N 0 1 712.852 5.708 1 0 KKAFMN CC(C)N1CCN(CC(=O)Nc2cc(Oc3ccc4c(c3)nc(Nc3cc(C(F)(F)F)ccc3F)n4C)ccn2)CC1 ZINC000166699783 562850525 /nfs/dbraw/zinc/85/05/25/562850525.db2.gz ZKNOTFQILSPCMY-UHFFFAOYSA-N 0 1 585.606 5.627 1 0 KKAFMN CN1CCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000168437340 562851432 /nfs/dbraw/zinc/85/14/32/562851432.db2.gz TZVXNNVFMGZHLT-KARZDMNSSA-N 0 1 525.637 5.259 1 0 KKAFMN C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310155 562854687 /nfs/dbraw/zinc/85/46/87/562854687.db2.gz UWULGUFSFZJDEY-JLELKNTQSA-N 0 1 580.685 5.231 1 0 KKAFMN Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000169311234 562855035 /nfs/dbraw/zinc/85/50/35/562855035.db2.gz JMRRKKLKCKJNAQ-UHFFFAOYSA-N 0 1 510.560 5.266 1 0 KKAFMN CC(C)(C)C1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC1(C)CC1)c1ccc(C(=O)NCc2nn[nH]n2)cc1 ZINC000169312970 562855530 /nfs/dbraw/zinc/85/55/30/562855530.db2.gz AEKFXNJTXXOQMH-MTABRHERSA-N 0 1 650.655 7.322 1 0 KKAFMN CCC(=O)c1ccc(OC[C@@H](O)CN(C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317786 562856055 /nfs/dbraw/zinc/85/60/55/562856055.db2.gz DTCLOSIOZCFUAJ-RBJSKKJNSA-N 0 1 515.572 6.180 1 0 KKAFMN O=C1OC=C2Nc3ccc4cn[nH]c4c3[C@@H](c3ccc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3)C12 ZINC000169337381 562860019 /nfs/dbraw/zinc/86/00/19/562860019.db2.gz APYMRKUZTCXJQS-AREMUKBSSA-N 0 1 539.513 7.164 1 0 KKAFMN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc(NS(=O)(=O)CCC(F)(F)F)c2F)n1 ZINC000169694659 562865500 /nfs/dbraw/zinc/86/55/00/562865500.db2.gz YCCLPJNCXZAVHV-LBPRGKRZSA-N 0 1 620.029 5.054 1 0 KKAFMN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@]2(C(=O)[O-])C[C@@H](OCc3ccccc3)C[N@@H+]12 ZINC000197884524 562872596 /nfs/dbraw/zinc/87/25/96/562872596.db2.gz SRFYAYKBKLOOMX-KBGHNRIXSA-N 0 1 670.354 5.195 1 0 KKAFMN COC(=O)Nc1ccc2c(c1)OCCCCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1 ZINC000198858584 562872866 /nfs/dbraw/zinc/87/28/66/562872866.db2.gz CXPNXUQGQPDUGH-OJWOGGGRSA-N 0 1 597.463 5.361 1 0 KKAFMN O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nn[nH]n1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202312343 562873644 /nfs/dbraw/zinc/87/36/44/562873644.db2.gz RSPXBYVZDFZHKB-SANMLTNESA-N 0 1 550.022 5.461 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5)cc4)ccc3c2[nH]1)C(C)C ZINC000205019819 562874748 /nfs/dbraw/zinc/87/47/48/562874748.db2.gz RLLQAFALJVVRHS-ZYADHFCISA-N 0 1 807.041 7.329 1 0 KKAFMN COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@@](C)(c3c(F)ccc(Cl)c3F)OC1=O)c1nc-2c(Cl)[nH]1 ZINC000205448091 562875376 /nfs/dbraw/zinc/87/53/76/562875376.db2.gz RYHYEVJNCKWHNX-DAMDPXBBSA-N 0 1 634.467 7.317 1 0 KKAFMN CC[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000224856101 562880544 /nfs/dbraw/zinc/88/05/44/562880544.db2.gz PLTQKURLRUOSJI-NYULUDCUSA-N 0 1 541.088 5.486 1 0 KKAFMN CC[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000224867917 562880550 /nfs/dbraw/zinc/88/05/50/562880550.db2.gz FQWTVSWJVIAHBO-UXWDXCIHSA-N 0 1 557.087 5.187 1 0 KKAFMN CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@]5(C[C@]41C[N@H+]2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000253634020 562882125 /nfs/dbraw/zinc/88/21/25/562882125.db2.gz MOSIRVPMEDLWCZ-NHCJTOIWSA-N 0 1 583.729 5.021 1 0 KKAFMN Nc1ncnc2c1c(-c1ccc3[nH]c(Cc4c(Cl)cccc4Cl)nc3c1)nn2[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC000253665700 562882668 /nfs/dbraw/zinc/88/26/68/562882668.db2.gz LIAHZGBRLZUXFH-WGSAOQKQSA-N 0 1 577.520 5.665 1 0 KKAFMN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC5CC5)CC4)c4ccc(C)cc34)cc2)c1C ZINC000299825315 562883520 /nfs/dbraw/zinc/88/35/20/562883520.db2.gz BWXLACRVVOIEGS-UHFFFAOYSA-N 0 1 580.733 5.233 1 0 KKAFMN CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299827176 562884067 /nfs/dbraw/zinc/88/40/67/562884067.db2.gz YIIVNLGOCABZSY-RIGRZHRLSA-N 0 1 824.965 5.686 1 0 KKAFMN CCOc1ccc(-c2nc(NC(=O)[C@H](N)Cc3ccccc3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299852472 562890951 /nfs/dbraw/zinc/89/09/51/562890951.db2.gz SODAHDFREADLLV-JOCHJYFZSA-N 0 1 533.650 5.410 1 0 KKAFMN O[C@@](CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000299855302 562891620 /nfs/dbraw/zinc/89/16/20/562891620.db2.gz AWQPDKWLTIHYCH-LJQANCHMSA-N 0 1 516.241 5.357 1 0 KKAFMN O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863847 562893979 /nfs/dbraw/zinc/89/39/79/562893979.db2.gz LRIVUPRHLMQOGF-MRUMMDIBSA-N 0 1 606.166 6.980 1 0 KKAFMN COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000473085185 562896933 /nfs/dbraw/zinc/89/69/33/562896933.db2.gz VOXGFSUNUJCBDG-IZZNHLLZSA-N 0 1 570.483 7.107 1 0 KKAFMN COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000473085172 562896947 /nfs/dbraw/zinc/89/69/47/562896947.db2.gz VOXGFSUNUJCBDG-CLJLJLNGSA-N 0 1 570.483 7.107 1 0 KKAFMN CCCCCCNc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086811 562897097 /nfs/dbraw/zinc/89/70/97/562897097.db2.gz CUSMDTSIZNVXNX-SSEXGKCCSA-N 0 1 529.725 6.154 1 0 KKAFMN CCOC(=O)CCCCCCNc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473087494 562897155 /nfs/dbraw/zinc/89/71/55/562897155.db2.gz FOFIZPPIHKXHNV-YTTGMZPUSA-N 0 1 601.788 6.088 1 0 KKAFMN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCCN2CCOCC2)COC1=O ZINC000473087904 562897216 /nfs/dbraw/zinc/89/72/16/562897216.db2.gz MEYWRAKHLLFFCD-MTZNQXOKSA-N 0 1 737.843 5.746 1 0 KKAFMN CC[N@@H+](CCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473117621 562899228 /nfs/dbraw/zinc/89/92/28/562899228.db2.gz ZTXCLPTZXVJBFR-UHFFFAOYSA-N 0 1 519.594 5.482 1 0 KKAFMN CC[N@H+](CCCOc1cccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473117621 562899229 /nfs/dbraw/zinc/89/92/29/562899229.db2.gz ZTXCLPTZXVJBFR-UHFFFAOYSA-N 0 1 519.594 5.482 1 0 KKAFMN COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2C)c1 ZINC000473134032 562900469 /nfs/dbraw/zinc/90/04/69/562900469.db2.gz BCAZTROQQPZQEL-UHFFFAOYSA-N 0 1 586.714 5.015 1 0 KKAFMN COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1 ZINC000473135964 562900908 /nfs/dbraw/zinc/90/09/08/562900908.db2.gz LYIZATOYFNWNKD-UHFFFAOYSA-N 0 1 601.725 5.366 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2 ZINC000473136985 562901149 /nfs/dbraw/zinc/90/11/49/562901149.db2.gz VYGXGABSDMWRBM-UHFFFAOYSA-N 0 1 627.807 6.655 1 0 KKAFMN O=C([O-])CCN1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215209 562903966 /nfs/dbraw/zinc/90/39/66/562903966.db2.gz BVKDCVKXPSMBCK-OVZXINRLSA-N 0 1 518.746 6.565 1 0 KKAFMN O=C([O-])CCN1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215209 562903967 /nfs/dbraw/zinc/90/39/67/562903967.db2.gz BVKDCVKXPSMBCK-OVZXINRLSA-N 0 1 518.746 6.565 1 0 KKAFMN O=C([O-])CN1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCCCCCC1 ZINC000473215312 562904072 /nfs/dbraw/zinc/90/40/72/562904072.db2.gz IRERFSFZSAVNDL-DAMQTCOWSA-N 0 1 506.735 6.709 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]2CCc3c2ccc(F)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473220603 562904117 /nfs/dbraw/zinc/90/41/17/562904117.db2.gz OXRDMDVMKHKSFH-DZRGJMJISA-N 0 1 587.088 5.396 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CSC1=O ZINC000473227452 562904216 /nfs/dbraw/zinc/90/42/16/562904216.db2.gz JLYOAGJCEBSHQD-FUDKSRODSA-N 0 1 582.719 5.159 1 0 KKAFMN C[C@@H](c1ccc2c(c1)CCO2)[N@H+](Cc1ccc(CCCN2C(=O)CCC2=O)c(Cl)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473228969 562904389 /nfs/dbraw/zinc/90/43/89/562904389.db2.gz YSMMSLKAUGEABX-HWBMXIPRSA-N 0 1 567.126 5.811 1 0 KKAFMN C[C@@H](c1ccc(Cl)c(F)c1)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473244488 562904816 /nfs/dbraw/zinc/90/48/16/562904816.db2.gz MJFAMCDWEPSBQU-ZJOUEHCJSA-N 0 1 563.041 5.600 1 0 KKAFMN COc1ccc(C[C@H]2c3ccc(NCc4cccnc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474608920 562905525 /nfs/dbraw/zinc/90/55/25/562905525.db2.gz MZNPVXAGVODRHG-PMERELPUSA-N 0 1 536.676 5.169 1 0 KKAFMN COc1ccc(C[C@H]2c3ccc(NCc4cccnc4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474608920 562905526 /nfs/dbraw/zinc/90/55/26/562905526.db2.gz MZNPVXAGVODRHG-PMERELPUSA-N 0 1 536.676 5.169 1 0 KKAFMN COc1ccc(C[C@H]2c3ccc(NCc4ccccc4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474609552 562905606 /nfs/dbraw/zinc/90/56/06/562905606.db2.gz QTDUAVIOODNWJG-HKBQPEDESA-N 0 1 535.688 5.774 1 0 KKAFMN Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[NH+]3CCCC3)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000584905463 562905876 /nfs/dbraw/zinc/90/58/76/562905876.db2.gz WJKWCGYIPOTSBR-UHFFFAOYSA-N 0 1 529.040 5.959 1 0 in-vitro KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C6CC6)nc5ccc4c3)cc2)c[nH]1)C(C)C ZINC000653696853 562907029 /nfs/dbraw/zinc/90/70/29/562907029.db2.gz KMUAKSPDASHTRF-ZYADHFCISA-N 0 1 805.025 7.083 1 0 KKAFMN CN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000653786110 562912423 /nfs/dbraw/zinc/91/24/23/562912423.db2.gz VBIIJIMQUUULLK-UHFFFAOYSA-N 0 1 626.136 7.136 1 0 KKAFMN CN1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000653786110 562912424 /nfs/dbraw/zinc/91/24/24/562912424.db2.gz VBIIJIMQUUULLK-UHFFFAOYSA-N 0 1 626.136 7.136 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5ccc4c3)cc2)c[nH]1)C(C)C ZINC000653894737 562917268 /nfs/dbraw/zinc/91/72/68/562917268.db2.gz AHJAYNBUBVVINA-RHSNAWLOSA-N 0 1 804.949 6.221 1 0 KKAFMN CCCC[C@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000653918600 562917953 /nfs/dbraw/zinc/91/79/53/562917953.db2.gz HTBWXRHRBWKCBD-ANLHILDMSA-N 0 1 819.080 9.261 1 0 KKAFMN CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)[C@@H]2C=C[C@H]3[C@H](Cc4ccnc(N)c4)[C@@H](C[NH2+]CC)C[C@]3(O)C2)[C@H](O)C1 ZINC000085492571 565127329 /nfs/dbraw/zinc/12/73/29/565127329.db2.gz VXKOSVZMKLFORN-SRVAMOSXSA-N 0 1 625.895 5.521 1 0 biogenic,in-vitro KKAFMN COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cccc(CO)c2)cc1O ZINC000085568402 565143560 /nfs/dbraw/zinc/14/35/60/565143560.db2.gz SYQHCSLBISSISR-LRAURROESA-N 0 1 641.717 5.324 1 0 biogenic,in-vitro KKAFMN O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3C[C@H]4C[C@@H]3CN4CC3CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026660139 581099583 /nfs/dbraw/zinc/09/95/83/581099583.db2.gz KSCQZBDAQWTHKN-QZTJIDSGSA-N 0 1 588.511 6.852 1 0 KKAFMN CN(CCNC(=O)c1cn(C)c2c1ccc1ccccc21)CCNC(=O)c1cn(C)c2c1ccc1ccccc21 ZINC000001861219 561679888 /nfs/dbraw/zinc/67/98/88/561679888.db2.gz HEWBJNOAXVXHID-UHFFFAOYSA-N 0 1 531.660 5.068 1 0 KKAFMN Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000003842932 561684080 /nfs/dbraw/zinc/68/40/80/561684080.db2.gz RIDDCLHNDOXTES-UHFFFAOYSA-N 0 1 732.848 7.200 1 0 KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4[nH]c3C(C)C)cc2)cc1OC ZINC000003922473 561685953 /nfs/dbraw/zinc/68/59/53/561685953.db2.gz KNUKDHHQOCTZCF-UHFFFAOYSA-N 0 1 550.721 6.085 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000003924172 561686315 /nfs/dbraw/zinc/68/63/15/561686315.db2.gz MSOUIIHPMJCUNI-LJAQVGFWSA-N 0 1 624.710 6.557 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3occc3c2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013470129 561713807 /nfs/dbraw/zinc/71/38/07/561713807.db2.gz CSDXUYVBDBLUJV-ZJGIAAPESA-N 0 1 506.643 5.712 1 0 KKAFMN O=c1[nH]c(SCCCN2CCN(c3cccc4ccccc43)CC2)nc2sc(-c3ccccc3)cc21 ZINC000013761026 561727790 /nfs/dbraw/zinc/72/77/90/561727790.db2.gz KALFDTHGRWHRJE-UHFFFAOYSA-N 0 1 512.704 6.109 1 0 KKAFMN CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CCN(CCc3ccccc3)CCC2=O)cc1 ZINC000013661810 561723590 /nfs/dbraw/zinc/72/35/90/561723590.db2.gz ILAUSUDKTJLFLK-NDEPHWFRSA-N 0 1 501.696 5.125 3 0 KKAFMN COc1ccc(C(OCC[N@H+]2CCC[C@H](C(=O)[O-])C2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000013737906 561725703 /nfs/dbraw/zinc/72/57/03/561725703.db2.gz HSSYPZBJVLXPLH-FQEVSTJZSA-N 0 1 514.449 6.107 1 0 KKAFMN CC(C)(C)OC(=O)NCCC(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744222 561726463 /nfs/dbraw/zinc/72/64/63/561726463.db2.gz JGEWEYMENDBLHO-XMMPIXPASA-N 0 1 510.631 5.400 1 0 KKAFMN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744243 561726609 /nfs/dbraw/zinc/72/66/09/561726609.db2.gz LZHHKCZHWRYWOD-UKILVPOCSA-N 0 1 536.669 5.884 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3ccoc3c2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760919 561727653 /nfs/dbraw/zinc/72/76/53/561727653.db2.gz WHDVQUAEJOXCTD-ZJGIAAPESA-N 0 1 506.643 5.712 1 0 KKAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1Cl ZINC000013801625 561730672 /nfs/dbraw/zinc/73/06/72/561730672.db2.gz QTZIGKQAFRUAHN-UHFFFAOYSA-N 0 1 509.053 5.276 1 0 KKAFMN O=C(Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCN(C(=O)c1cccc3ccccc31)C2)c1ccccc1 ZINC000013803060 561730933 /nfs/dbraw/zinc/73/09/33/561730933.db2.gz JBHMGPLFBVLTLB-UHFFFAOYSA-N 0 1 501.590 5.478 1 0 KKAFMN O=C(CN1CN(c2ccccc2)C2(CCN([C@H]3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1 ZINC000013806870 561731482 /nfs/dbraw/zinc/73/14/82/561731482.db2.gz XDBSOVFDSPYHQJ-SANMLTNESA-N 0 1 514.069 5.221 1 0 KKAFMN CC[C@@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C2CC2)c(=O)o1 ZINC000014943350 561741415 /nfs/dbraw/zinc/74/14/15/561741415.db2.gz SEUIMKBYBKTVTL-KCWXNJEJSA-N 0 1 564.103 7.078 1 0 KKAFMN CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C2CC2)c(=O)o1 ZINC000014943349 561741497 /nfs/dbraw/zinc/74/14/97/561741497.db2.gz SEUIMKBYBKTVTL-PBBNMVCDSA-N 0 1 564.103 7.078 1 0 KKAFMN Cc1cccc(C)c1S(=O)(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000014943425 561741686 /nfs/dbraw/zinc/74/16/86/561741686.db2.gz IGPFSCHANMGPFR-VWLOTQADSA-N 0 1 507.652 5.964 1 0 KKAFMN CCCCOc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000014943420 561741745 /nfs/dbraw/zinc/74/17/45/561741745.db2.gz TYICRGMXQPUREK-MUUNZHRXSA-N 0 1 551.705 6.526 1 0 KKAFMN O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(CC[C@H](O)c2ccccc2)CC1)c1cccc2ccccc21 ZINC000014962030 561748562 /nfs/dbraw/zinc/74/85/62/561748562.db2.gz KLXPIHNTOUDGPI-DHUJRADRSA-N 0 1 541.695 7.005 1 0 KKAFMN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NCC[C@H]2CCC[N@H+]2C2CCCCC2)ccc2c1CCCC2 ZINC000014964648 561749543 /nfs/dbraw/zinc/74/95/43/561749543.db2.gz ZDGUHSILERAOJM-HSZRJFAPSA-N 0 1 525.715 5.664 1 0 KKAFMN COC(=O)Nc1nc2ccc(Oc3ccc(CC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1 ZINC000014965523 561749663 /nfs/dbraw/zinc/74/96/63/561749663.db2.gz KCJAPLFLYYZXFD-UHFFFAOYSA-N 0 1 502.424 5.873 1 0 KKAFMN O=C(NC(c1ccccc1)c1ccccc1)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000017544909 561755589 /nfs/dbraw/zinc/75/55/89/561755589.db2.gz XKYGFDFNVVNKFT-NDEPHWFRSA-N 0 1 558.638 5.014 3 0 KKAFMN O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000019365464 561758385 /nfs/dbraw/zinc/75/83/85/561758385.db2.gz WPTBYSWSMZEWGH-MHZLTWQESA-N 0 1 545.468 5.575 1 0 KKAFMN COc1cccc([C@@H](OCCN2CCN(C/C=C/c3ccccc3)CC2)c2cccc(Br)c2)c1 ZINC000022925559 561759710 /nfs/dbraw/zinc/75/97/10/561759710.db2.gz ZVXTZYNQLSAYCQ-AELAXVIFSA-N 0 1 521.499 5.895 1 0 KKAFMN CCCCC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022932269 561760254 /nfs/dbraw/zinc/76/02/54/561760254.db2.gz JUZGVMWDXIFZGB-JGCGQSQUSA-N 0 1 510.682 5.379 1 0 KKAFMN CC(C)N1CCN(CCN2CCN([C@@H]3C[C@@H](c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O ZINC000022940798 561761049 /nfs/dbraw/zinc/76/10/49/561761049.db2.gz XDVMQRQYTNBNKW-AZGAKELHSA-N 0 1 518.599 5.185 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc5[nH]ccc54)c3)cc2C(F)(F)F)CC1 ZINC000022952975 561761225 /nfs/dbraw/zinc/76/12/25/561761225.db2.gz PURXNLRDNBGWES-UHFFFAOYSA-N 0 1 563.624 6.137 3 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnn(-c5ccccc5)c4N)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952981 561761236 /nfs/dbraw/zinc/76/12/36/561761236.db2.gz UKWBMXHWPGBTDX-UHFFFAOYSA-N 0 1 621.664 5.124 3 0 KKAFMN COc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N(CCC(C)C)CCC(C)C)cc1 ZINC000025992209 561764814 /nfs/dbraw/zinc/76/48/14/561764814.db2.gz OHMZTHZRNDTINA-JPHFWNGBSA-N 0 1 538.685 5.186 1 0 KKAFMN CCCC[N@@H+](Cc1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)[O-])Cc1ccccc1 ZINC000026294317 561781173 /nfs/dbraw/zinc/78/11/73/561781173.db2.gz SRXSOZZKVVOABF-UHFFFAOYSA-N 0 1 563.706 6.232 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)ccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 ZINC000026387032 561784704 /nfs/dbraw/zinc/78/47/04/561784704.db2.gz VBZSVPYGMWJBKR-UHFFFAOYSA-N 0 1 676.782 6.176 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccc(F)cc76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026393560 561786254 /nfs/dbraw/zinc/78/62/54/561786254.db2.gz BQIRYCMPGJLSRW-UHFFFAOYSA-N 0 1 658.792 6.037 1 0 KKAFMN CC(C)CCN(c1ccc(NCC[C@H](C)O)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026498933 561794928 /nfs/dbraw/zinc/79/49/28/561794928.db2.gz RMNBMSAPTRQBGL-DHIFEGFHSA-N 0 1 571.851 5.713 1 0 KKAFMN CCN(CCO)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000026576689 561800484 /nfs/dbraw/zinc/80/04/84/561800484.db2.gz IYWLLEISTIXAQH-UHFFFAOYSA-N 0 1 703.284 5.662 1 0 KKAFMN Cn1cc(Cc2cn(CC(=O)N(CCN3CCCC3)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026577508 561801682 /nfs/dbraw/zinc/80/16/82/561801682.db2.gz JFLFKVDUANRIPF-UHFFFAOYSA-N 0 1 685.269 6.444 1 0 KKAFMN Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026577507 561801755 /nfs/dbraw/zinc/80/17/55/561801755.db2.gz SWZBJHXEZOKMDO-UHFFFAOYSA-N 0 1 699.296 6.834 1 0 KKAFMN COc1ccc(N(C(=O)CN2c3ccccc3N(c3ccccc3)C(=O)[C@@](C)(Cc3n[nH]c4ccccc43)C2=O)C(C)C)cc1 ZINC000026579245 561804323 /nfs/dbraw/zinc/80/43/23/561804323.db2.gz HLUCCSPJVQTJTM-BHVANESWSA-N 0 1 601.707 6.273 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 ZINC000026580042 561805459 /nfs/dbraw/zinc/80/54/59/561805459.db2.gz BEJZBMDINMSNEG-RYXSGMGPSA-N 0 1 597.674 6.216 1 0 KKAFMN CC(C)N1CCN(CCN2CCN([C@H]3C[C@@H](c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O ZINC000026669886 561812021 /nfs/dbraw/zinc/81/20/21/561812021.db2.gz XDVMQRQYTNBNKW-AHWVRZQESA-N 0 1 518.599 5.185 1 0 KKAFMN CC1(C)C(=O)NC(=O)c2c3nc(Nc4c(Br)cc(Br)cc4Br)[nH]c3ccc21 ZINC000027079873 561834892 /nfs/dbraw/zinc/83/48/92/561834892.db2.gz KYQOAPIJIRYMIR-UHFFFAOYSA-N 0 1 557.040 5.142 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6c(Cl)cccc6Cl)CC5)CC4)OCCO3)cc2)cc1 ZINC000027102282 561839026 /nfs/dbraw/zinc/83/90/26/561839026.db2.gz RXONMKSWCPADSS-UHFFFAOYSA-N 0 1 659.632 6.051 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6Br)CC5)CC4)OCCO3)cc2)cc1 ZINC000027104522 561839731 /nfs/dbraw/zinc/83/97/31/561839731.db2.gz OSXKQKDYDYLKEV-UHFFFAOYSA-N 0 1 669.638 5.507 1 0 KKAFMN CCCc1cccc(CC)c1NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000027194353 561844068 /nfs/dbraw/zinc/84/40/68/561844068.db2.gz APXDEEHRWJDGMC-ICTSCBFQSA-N 0 1 544.648 5.419 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000027198393 561844697 /nfs/dbraw/zinc/84/46/97/561844697.db2.gz VRCKDEMDFQJSQX-IVWQJUNXSA-N 0 1 640.736 6.374 1 0 KKAFMN CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)CCc2ccccn2)c(=O)c(C(=O)NC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027331492 561855139 /nfs/dbraw/zinc/85/51/39/561855139.db2.gz LNRZLOCRAANHBI-UHFFFAOYSA-N 0 1 664.826 6.682 1 0 KKAFMN CC(C)N1CCN([C@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccc3c2OCO3)CC1 ZINC000027437583 561860330 /nfs/dbraw/zinc/86/03/30/561860330.db2.gz YOMKURGHXWLZFQ-JOCHJYFZSA-N 0 1 559.551 5.221 1 0 KKAFMN Cc1nc(CN2CCC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)cs1 ZINC000027524197 561865532 /nfs/dbraw/zinc/86/55/32/561865532.db2.gz QQOIKWGCKJQKAY-UHFFFAOYSA-N 0 1 528.562 7.240 1 0 KKAFMN O=C(c1cccc2ccccc21)N1CCN(Cc2cnc[nH]2)c2cc(NS(=O)(=O)c3ccccc3)ccc2C1 ZINC000027563750 561871460 /nfs/dbraw/zinc/87/14/60/561871460.db2.gz LUWZAQHNTQFUNH-UHFFFAOYSA-N 0 1 537.645 5.026 1 0 KKAFMN COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCN(C)CC3)n2Cc2ccccc21 ZINC000027873439 561888340 /nfs/dbraw/zinc/88/83/40/561888340.db2.gz SUAPLVPXYIPBOE-UHFFFAOYSA-N 0 1 625.773 6.372 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028017190 561897529 /nfs/dbraw/zinc/89/75/29/561897529.db2.gz XNRDIULNKXSIMU-PTTLIBFYSA-N 0 1 632.865 7.205 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028017895 561897717 /nfs/dbraw/zinc/89/77/17/561897717.db2.gz SBOQQQJCTLABKQ-NWLDEYSWSA-N 0 1 590.784 6.036 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028017895 561897718 /nfs/dbraw/zinc/89/77/18/561897718.db2.gz SBOQQQJCTLABKQ-NWLDEYSWSA-N 0 1 590.784 6.036 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3nocc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015558 561897254 /nfs/dbraw/zinc/89/72/54/561897254.db2.gz SXGWCYQQRNNIRO-RKKDRKJOSA-N 0 1 541.736 6.194 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3nocc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015558 561897255 /nfs/dbraw/zinc/89/72/55/561897255.db2.gz SXGWCYQQRNNIRO-RKKDRKJOSA-N 0 1 541.736 6.194 1 0 KKAFMN CCn1nc(Cc2ccc(C)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016359 561897486 /nfs/dbraw/zinc/89/74/86/561897486.db2.gz GNLVMLODDVHEOL-HQRWHSCBSA-N 0 1 574.785 6.336 1 0 KKAFMN CCn1nc(Cc2ccc(C)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016359 561897487 /nfs/dbraw/zinc/89/74/87/561897487.db2.gz GNLVMLODDVHEOL-HQRWHSCBSA-N 0 1 574.785 6.336 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028017190 561897528 /nfs/dbraw/zinc/89/75/28/561897528.db2.gz XNRDIULNKXSIMU-PTTLIBFYSA-N 0 1 632.865 7.205 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028020332 561898420 /nfs/dbraw/zinc/89/84/20/561898420.db2.gz DKYYISTXVPXPTC-JKULCMLZSA-N 0 1 610.818 7.180 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028020332 561898422 /nfs/dbraw/zinc/89/84/22/561898422.db2.gz DKYYISTXVPXPTC-JKULCMLZSA-N 0 1 610.818 7.180 1 0 KKAFMN COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1 ZINC000028022773 561898807 /nfs/dbraw/zinc/89/88/07/561898807.db2.gz ZMSFSLCQKJLFEX-UHFFFAOYSA-N 0 1 550.721 5.856 1 0 KKAFMN CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086976 561899250 /nfs/dbraw/zinc/89/92/50/561899250.db2.gz YJMCMZGIYUMSRA-HMQVCXRFSA-N 0 1 604.786 6.701 1 0 KKAFMN CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086976 561899252 /nfs/dbraw/zinc/89/92/52/561899252.db2.gz YJMCMZGIYUMSRA-HMQVCXRFSA-N 0 1 604.786 6.701 1 0 KKAFMN CCOc1cccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028095638 561900810 /nfs/dbraw/zinc/90/08/10/561900810.db2.gz LTMRDWVSJXSDFC-OKRUAUFTSA-N 0 1 604.811 6.426 1 0 KKAFMN CCOc1cccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028095638 561900811 /nfs/dbraw/zinc/90/08/11/561900811.db2.gz LTMRDWVSJXSDFC-OKRUAUFTSA-N 0 1 604.811 6.426 1 0 KKAFMN Cn1c(CN2CCC(CNC(=O)Nc3ccccc3F)(c3ccc(-c4cccnc4)cc3)CC2)nc2ccccc21 ZINC000028131516 561905791 /nfs/dbraw/zinc/90/57/91/561905791.db2.gz WOJQTUNMSZROGP-UHFFFAOYSA-N 0 1 548.666 6.130 1 0 KKAFMN CN(Cc1c(-c2ccc(NC(=O)c3ccccc3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000028241456 561910513 /nfs/dbraw/zinc/91/05/13/561910513.db2.gz BUQOFLIIFITOQJ-UHFFFAOYSA-N 0 1 698.795 8.092 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(CC[S@](=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236022 561909689 /nfs/dbraw/zinc/90/96/89/561909689.db2.gz JYYACAFJPRJWFF-WYPQCJHRSA-N 0 1 558.735 5.534 1 0 KKAFMN CCC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238513 561910117 /nfs/dbraw/zinc/91/01/17/561910117.db2.gz XWMQCIPHPXPSTF-UHFFFAOYSA-N 0 1 650.751 7.188 1 0 KKAFMN CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCC(=O)[O-] ZINC000028536338 561935006 /nfs/dbraw/zinc/93/50/06/561935006.db2.gz IUGWLGOMDZMDEM-SBUWMIOTSA-N 0 1 580.722 5.047 1 0 KKAFMN O=C([O-])[C@H]1CCCC[N@H+]1CCC=C(c1sccc1COCc1ccccc1)c1sccc1COCc1ccccc1 ZINC000028564896 561935843 /nfs/dbraw/zinc/93/58/43/561935843.db2.gz GYLJKXHUIAPXHF-WJOKGBTCSA-N 0 1 587.807 8.004 1 0 KKAFMN O=C([O-])[C@@H]1CCCC[N@H+]1CCC=C(c1sccc1COc1ccccc1)c1sccc1COc1ccccc1 ZINC000028565652 561936206 /nfs/dbraw/zinc/93/62/06/561936206.db2.gz RBLLNGZJEPMQQN-LJAQVGFWSA-N 0 1 559.753 7.729 1 0 KKAFMN C[C@@H](CCCN1C(=O)CCc2ccccc21)N1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1 ZINC000028568151 561937236 /nfs/dbraw/zinc/93/72/36/561937236.db2.gz HSONZWPNORZWDX-IBGZPJMESA-N 0 1 503.613 5.063 1 0 KKAFMN CCc1cc(Nc2cc(=O)n(CCCC[NH+]3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5-c4ccc(F)cc4F)CC3)c(=O)[nH]2)ccc1C ZINC000028569035 561937675 /nfs/dbraw/zinc/93/76/75/561937675.db2.gz LYNNETNJMPHXJF-UHFFFAOYSA-N 0 1 702.734 5.173 1 0 KKAFMN CCc1cc(Nc2cc(=O)n(CCCCC[N@H+]3C[C@H]4CCCN(c5cc6c(cc5F)c(=O)c(C(=O)[O-])cn6C5CC5)[C@@H]4C3)c(=O)[nH]2)ccc1C ZINC000028569522 561938217 /nfs/dbraw/zinc/93/82/17/561938217.db2.gz MVSJSTSMTQLHJA-INJOXJOKSA-N 0 1 684.813 5.409 1 0 KKAFMN C[N@@H+](CCCOC/C=C/COc1ccc(C(=O)c2ccc(Cl)cc2)c([O-])c1)CCc1ccc(F)cc1 ZINC000028710572 561951456 /nfs/dbraw/zinc/95/14/56/561951456.db2.gz FTIZLGLUFKODAY-NSCUHMNNSA-N 0 1 512.021 5.932 1 0 KKAFMN COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cccc(C(C)=O)c5)cc4)CC3)C2=O)c1 ZINC000028704536 561948646 /nfs/dbraw/zinc/94/86/46/561948646.db2.gz SIRWJQPRPKEEGY-UHFFFAOYSA-N 0 1 591.683 6.708 1 0 KKAFMN COc1ccc(-c2cc(CN3[C@@H]4CC[C@H]3CN(Cc3ccnc(-c5ccc(OC)cc5)c3)C4)ccn2)cc1 ZINC000028707552 561950019 /nfs/dbraw/zinc/95/00/19/561950019.db2.gz IQBKNLZJPZVXMN-HNRBIFIRSA-N 0 1 506.650 5.677 1 0 KKAFMN CSc1sc(C(N)=[NH2+])cc1-c1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cs1 ZINC000028770937 561961261 /nfs/dbraw/zinc/96/12/61/561961261.db2.gz FBZDLQUVQZVNAE-UHFFFAOYSA-N 0 1 500.696 5.654 1 0 KKAFMN C[C@H]1CN(CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816504 561964234 /nfs/dbraw/zinc/96/42/34/561964234.db2.gz ZVFYYUNCJRTCOQ-BBVXACFBSA-N 0 1 546.133 5.177 1 0 KKAFMN CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 ZINC000028826477 561971329 /nfs/dbraw/zinc/97/13/29/561971329.db2.gz AZZYTBNDKWLIQD-UHFFFAOYSA-N 0 1 611.183 5.322 1 0 KKAFMN O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 ZINC000028826506 561971375 /nfs/dbraw/zinc/97/13/75/561971375.db2.gz OPEGMUOHWDCNGL-UHFFFAOYSA-N 0 1 645.200 5.724 1 0 KKAFMN Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(C(=O)[O-])cc2)n1C ZINC000028897784 561979390 /nfs/dbraw/zinc/97/93/90/561979390.db2.gz ZXHFDDRSACRPPE-UHFFFAOYSA-N 0 1 623.100 5.464 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2cccc3ccccc32)cc1 ZINC000028949152 561980440 /nfs/dbraw/zinc/98/04/40/561980440.db2.gz WBALXMXWDUKHNN-UHFFFAOYSA-N 0 1 506.602 6.512 1 0 KKAFMN Cc1ccc2[nH]c(-c3ccc(OCCCCCOc4ccc(-c5nc6ccc(C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000029044594 561992302 /nfs/dbraw/zinc/99/23/02/561992302.db2.gz ZSPPZNMSSYFPFK-UHFFFAOYSA-N 0 1 516.645 8.018 1 0 KKAFMN Cc1ccc2nc(-c3ccc(OCCCCCOc4ccc(-c5nc6ccc(C)cc6[nH]5)cc4)cc3)[nH]c2c1 ZINC000029044594 561992304 /nfs/dbraw/zinc/99/23/04/561992304.db2.gz ZSPPZNMSSYFPFK-UHFFFAOYSA-N 0 1 516.645 8.018 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(CC(F)(F)F)oc5cc4CC3)n2C)n1 ZINC000029127081 561999343 /nfs/dbraw/zinc/99/93/43/561999343.db2.gz LAGGNVKIMAMGMQ-UHFFFAOYSA-N 0 1 566.653 6.168 1 0 KKAFMN CCc1nn(C)c2cc3c(cc12)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127167 561999561 /nfs/dbraw/zinc/99/95/61/561999561.db2.gz FXBRDXOXJHZPDA-UHFFFAOYSA-N 0 1 525.726 5.371 1 0 KKAFMN CCCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127512 561999943 /nfs/dbraw/zinc/99/99/43/561999943.db2.gz UKHPZHQUPSAUMR-UHFFFAOYSA-N 0 1 526.710 6.015 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(C(C)C)oc5cc4CC3)n2C)n1 ZINC000029127510 561999970 /nfs/dbraw/zinc/99/99/70/561999970.db2.gz NRQJARQPULKWBG-UHFFFAOYSA-N 0 1 526.710 6.186 1 0 KKAFMN CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)[N-]c4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 ZINC000029226077 562008215 /nfs/dbraw/zinc/00/82/15/562008215.db2.gz PHRCAOKGQTVTFO-LJAQVGFWSA-N 0 1 601.754 5.111 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 ZINC000029326525 562013484 /nfs/dbraw/zinc/01/34/84/562013484.db2.gz DNCQXUOWEHOOQR-LJAQVGFWSA-N 0 1 576.625 5.348 1 0 KKAFMN Cn1c(Cc2ccc(C(N)=[NH2+])cc2)nc2cc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000029471040 562025548 /nfs/dbraw/zinc/02/55/48/562025548.db2.gz DGTKDVQDJOYSOI-UHFFFAOYSA-N 0 1 555.504 5.287 1 0 KKAFMN Cc1oc2c(c1C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)c(C)c(O)c(C)c2C ZINC000029566156 562034428 /nfs/dbraw/zinc/03/44/28/562034428.db2.gz STSBQJOWYHTJEK-IVZMSFFOSA-N 0 1 506.624 5.739 1 0 KKAFMN Cc1oc2c(c1C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)c(C)c(O)c(C)c2C ZINC000029566156 562034430 /nfs/dbraw/zinc/03/44/30/562034430.db2.gz STSBQJOWYHTJEK-IVZMSFFOSA-N 0 1 506.624 5.739 1 0 KKAFMN CCCCCCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)n1 ZINC000029567123 562034679 /nfs/dbraw/zinc/03/46/79/562034679.db2.gz RDVWHSCDZBZWKT-LJAQVGFWSA-N 0 1 564.777 5.994 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc43)cs2)cc1 ZINC000029569476 562035332 /nfs/dbraw/zinc/03/53/32/562035332.db2.gz YZPXOMNTFQTKSD-HKBQPEDESA-N 0 1 595.750 6.020 1 0 KKAFMN CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503567 562037421 /nfs/dbraw/zinc/03/74/21/562037421.db2.gz RNPPRRQXTVGBHF-PVTPYKNESA-N 0 1 501.671 5.270 1 0 KKAFMN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503567 562037422 /nfs/dbraw/zinc/03/74/22/562037422.db2.gz RNPPRRQXTVGBHF-PVTPYKNESA-N 0 1 501.671 5.270 1 0 KKAFMN O=C([O-])C[C@@H](Cc1cc(OCCc2ccc3c([nH+]2)NCCC3)no1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000036269235 562052932 /nfs/dbraw/zinc/05/29/32/562052932.db2.gz WPRZWONATNXRPZ-GOSISDBHSA-N 0 1 525.030 5.627 1 0 KKAFMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294661 562054786 /nfs/dbraw/zinc/05/47/86/562054786.db2.gz MUAQEKVYFBHQJO-FQEVSTJZSA-N 0 1 526.855 5.899 1 0 KKAFMN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@@H]2[C@H](Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000036324022 562055310 /nfs/dbraw/zinc/05/53/10/562055310.db2.gz KJQHHFWZKACGAF-JCYYIGJDSA-N 0 1 533.556 7.730 1 0 KKAFMN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(NS(=O)(=O)CCN4CCCC4)c3)nnc2c1 ZINC000037858300 562061905 /nfs/dbraw/zinc/06/19/05/562061905.db2.gz RALCWZCHKNFZSA-UHFFFAOYSA-N 0 1 516.671 5.198 1 0 KKAFMN O=C([O-])[C@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000038154925 562067980 /nfs/dbraw/zinc/06/79/80/562067980.db2.gz BYTINRYNDVFJIV-NHKHRBQYSA-N 0 1 529.750 5.882 1 0 KKAFMN O=C([O-])[C@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000038154925 562067981 /nfs/dbraw/zinc/06/79/81/562067981.db2.gz BYTINRYNDVFJIV-NHKHRBQYSA-N 0 1 529.750 5.882 1 0 KKAFMN C[C@H]1CN(c2nc3cc(C(F)(F)F)cc(-c4cc(F)c(F)c(F)c4)c3[nH]2)CCN1c1ncccc1Br ZINC000038157627 562069212 /nfs/dbraw/zinc/06/92/12/562069212.db2.gz LBTSPUYNHKIJJS-LBPRGKRZSA-N 0 1 570.335 6.539 1 0 KKAFMN C[C@H]1CN(c2ncccc2Br)CCN1c1nc2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1 ZINC000038157629 562069243 /nfs/dbraw/zinc/06/92/43/562069243.db2.gz XXIWXQGVLZUIOD-LBPRGKRZSA-N 0 1 570.335 6.539 1 0 KKAFMN CC(C)(C)c1ccc(-c2cc(C(F)(F)F)cc3nc(N4CCN(c5ncccc5C(F)(F)F)CC4)[nH]c32)cc1 ZINC000038157644 562069366 /nfs/dbraw/zinc/06/93/66/562069366.db2.gz XAEWSDMNYPRTQM-UHFFFAOYSA-N 0 1 547.547 7.287 1 0 KKAFMN CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCc3c4ccccc4[nH]c3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000040413384 562075455 /nfs/dbraw/zinc/07/54/55/562075455.db2.gz GQGBHYPHRMQFHE-MGMSZRMWSA-N 0 1 517.028 6.911 1 0 KKAFMN CCN1CCN(CC(=O)Nc2cc(C)nc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc32)CC1 ZINC000040863824 562081093 /nfs/dbraw/zinc/08/10/93/562081093.db2.gz JRAFQVRRYHRBSS-UHFFFAOYSA-N 0 1 515.445 5.070 1 0 KKAFMN COc1cc2c(cc1OC)[C@H](Cc1ccc3ccccc3c1)N([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000040950061 562085884 /nfs/dbraw/zinc/08/58/84/562085884.db2.gz RWSZLMVCERHQGM-NYDCQLBNSA-N 0 1 506.646 6.019 1 0 KKAFMN CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4ccc(C(F)(F)F)cc4[nH]3)[C@H]2SC1 ZINC000043640896 562650415 /nfs/dbraw/zinc/65/04/15/562650415.db2.gz JKJMTAOPHUTCNX-UFHPHHKVSA-N 0 1 622.625 5.427 1 0 KKAFMN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1-c1ccc(C[N@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000043967619 562651335 /nfs/dbraw/zinc/65/13/35/562651335.db2.gz FXOJKPLALHHTKM-YTTGMZPUSA-N 0 1 555.744 6.555 1 0 KKAFMN NC(=O)c1ccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)cc1 ZINC000045210788 562659323 /nfs/dbraw/zinc/65/93/23/562659323.db2.gz XDYVIIDXZFPQDE-UHFFFAOYSA-N 0 1 500.480 6.267 1 0 KKAFMN O=C1c2ccccc2S[C@H](c2c[nH]c3ccccc32)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000045288173 562660263 /nfs/dbraw/zinc/66/02/63/562660263.db2.gz WCJIXYBECUTCQM-HHHXNRCGSA-N 0 1 512.616 5.815 1 0 KKAFMN Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000045338412 562661488 /nfs/dbraw/zinc/66/14/88/562661488.db2.gz OYMMUIOAGAZCAO-UHFFFAOYSA-N 0 1 518.499 5.647 1 0 KKAFMN C[N@@H+]1CCc2cc(Cl)c([O-])cc2[C@@H](c2ccc(CN(Cc3ccccc3)c3ccc(F)cc3F)cc2)C1 ZINC000045355224 562661852 /nfs/dbraw/zinc/66/18/52/562661852.db2.gz AWUWWSPJQVWBIM-HHHXNRCGSA-N 0 1 519.035 7.150 1 0 KKAFMN C[N@H+]1CCc2cc(Cl)c([O-])cc2[C@@H](c2ccc(CN(Cc3ccccc3)c3ccc(F)cc3F)cc2)C1 ZINC000045355224 562661853 /nfs/dbraw/zinc/66/18/53/562661853.db2.gz AWUWWSPJQVWBIM-HHHXNRCGSA-N 0 1 519.035 7.150 1 0 KKAFMN O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CCN1CCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000048307283 562662879 /nfs/dbraw/zinc/66/28/79/562662879.db2.gz BNDFNXDZQSZTHZ-UHFFFAOYSA-N 0 1 673.726 7.875 1 0 KKAFMN CS(=O)(=O)CCNCc1cccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)c1 ZINC000048308884 562663153 /nfs/dbraw/zinc/66/31/53/562663153.db2.gz QILAURCHCDTSIZ-UHFFFAOYSA-N 0 1 597.137 6.608 1 0 KKAFMN Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCSCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049036736 562663630 /nfs/dbraw/zinc/66/36/30/562663630.db2.gz PYORKCIXTGLRQL-LJAQVGFWSA-N 0 1 503.620 5.352 1 0 KKAFMN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000049605081 562665358 /nfs/dbraw/zinc/66/53/58/562665358.db2.gz NSBQENQQQQIUNL-CYWZBKSPSA-N 0 1 547.914 6.000 1 0 KKAFMN FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(CNCc5cnn(-c6ccccc6)n5)cc4)cc3)[nH]c2c1 ZINC000049605307 562665706 /nfs/dbraw/zinc/66/57/06/562665706.db2.gz XNNPCMPTHHEWNS-UHFFFAOYSA-N 0 1 524.550 6.786 1 0 KKAFMN O=C(Cc1ccccc1)N[C@@H](CCN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049605478 562665983 /nfs/dbraw/zinc/66/59/83/562665983.db2.gz LYKHJUMUTTZIMQ-PMERELPUSA-N 0 1 668.609 7.120 1 0 KKAFMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1 ZINC000049605528 562666012 /nfs/dbraw/zinc/66/60/12/562666012.db2.gz OFPRHWNZKLPEJG-UHFFFAOYSA-N 0 1 560.888 6.271 1 0 KKAFMN CS(=O)(=O)CCNCc1cccc(-c2cc3c(ncnc3Nc3ccc4c(cnn4Cc4ccccc4)c3)s2)c1 ZINC000049605605 562666102 /nfs/dbraw/zinc/66/61/02/562666102.db2.gz OYPWKPUGLVOGRZ-UHFFFAOYSA-N 0 1 568.728 5.634 1 0 KKAFMN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)c(F)c2)CC1 ZINC000049605716 562666326 /nfs/dbraw/zinc/66/63/26/562666326.db2.gz XJOIRUKYLBUXQY-UHFFFAOYSA-N 0 1 570.496 5.935 1 0 KKAFMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000049626068 562666985 /nfs/dbraw/zinc/66/69/85/562666985.db2.gz WJLVFZDQXPPRFH-UHFFFAOYSA-N 0 1 542.898 6.132 1 0 KKAFMN CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CC[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000049626425 562667160 /nfs/dbraw/zinc/66/71/60/562667160.db2.gz YDPXQHJSXNJKLP-UHFFFAOYSA-N 0 1 704.255 6.993 1 0 KKAFMN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc(C(F)(F)F)c1)CC2 ZINC000049626344 562667192 /nfs/dbraw/zinc/66/71/92/562667192.db2.gz ICTDNSCIVSSZQH-HSZRJFAPSA-N 0 1 590.568 6.632 1 0 KKAFMN O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049639195 562667663 /nfs/dbraw/zinc/66/76/63/562667663.db2.gz WQZXEQMWHCKBCL-UHFFFAOYSA-N 0 1 578.204 6.284 1 0 KKAFMN Cc1ccc(C(OC[C@H](O)CN2CCN(C[C@@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049695072 562670115 /nfs/dbraw/zinc/67/01/15/562670115.db2.gz VGTHCHXFYHAGIH-XPSQVAKYSA-N 0 1 622.850 6.172 1 0 KKAFMN O=C([O-])[C@H]1CCCc2c(OCCC[N@H+](Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21 ZINC000049695483 562670606 /nfs/dbraw/zinc/67/06/06/562670606.db2.gz OHQDOFBGVQTUAB-PMERELPUSA-N 0 1 622.127 8.967 1 0 KKAFMN COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)Nc4cccnc4)cc3)sc2n1 ZINC000049709471 562671341 /nfs/dbraw/zinc/67/13/41/562671341.db2.gz DHBRPNVHJRZIDB-OAQYLSRUSA-N 0 1 537.667 5.198 1 0 KKAFMN COc1cc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(OC)c1OC ZINC000049709670 562671424 /nfs/dbraw/zinc/67/14/24/562671424.db2.gz LKTVUCUKEOYSRD-NDEPHWFRSA-N 0 1 563.657 5.360 1 0 KKAFMN COc1cc(C(=O)N2CCO[C@](CCN3CCC[C@H]3C(=O)Nc3ccccc3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049710532 562671742 /nfs/dbraw/zinc/67/17/42/562671742.db2.gz NNCRUKJWFHRUPQ-CMVGPNDKSA-N 0 1 642.580 5.880 1 0 KKAFMN O=C(Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CCN1CCCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049723153 562672994 /nfs/dbraw/zinc/67/29/94/562672994.db2.gz BNMGVJMJNYCPRI-UHFFFAOYSA-N 0 1 705.793 8.773 1 0 KKAFMN CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(c4ccccc4N(Cc4ccc(C(C)(C)C)cc4)C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000049723189 562673048 /nfs/dbraw/zinc/67/30/48/562673048.db2.gz LKZPTSTVIYXXMC-KGKWYIGFSA-N 0 1 720.708 7.686 1 0 KKAFMN Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2ccc(F)c(Cl)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049745956 562674179 /nfs/dbraw/zinc/67/41/79/562674179.db2.gz PAOZJOUZYCJOJN-UHFFFAOYSA-N 0 1 570.934 6.439 1 0 KKAFMN COc1cc(C(C)C)ccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049746023 562674190 /nfs/dbraw/zinc/67/41/90/562674190.db2.gz OUZRSZYTDNNXGW-UHFFFAOYSA-N 0 1 563.142 6.057 1 0 KKAFMN Cc1ccc(NC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccc(F)c(F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049746809 562674583 /nfs/dbraw/zinc/67/45/83/562674583.db2.gz OLAQMONZFSBMQC-UHFFFAOYSA-N 0 1 554.479 5.925 1 0 KKAFMN Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2ccc(F)c(F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049746809 562674584 /nfs/dbraw/zinc/67/45/84/562674584.db2.gz OLAQMONZFSBMQC-UHFFFAOYSA-N 0 1 554.479 5.925 1 0 KKAFMN CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCCC2)nn1 ZINC000049756142 562674840 /nfs/dbraw/zinc/67/48/40/562674840.db2.gz XBQOGPRXCCTYMI-IEWVHIKDSA-N 0 1 597.657 6.957 1 0 KKAFMN O=C([O-])C[C@@H]1CC[N@@H+]([C@H](CCc2ccccc2)c2ccc(C(F)(F)F)nc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000049762555 562676644 /nfs/dbraw/zinc/67/66/44/562676644.db2.gz PVCUYYSXSXNIAS-ZPZUNKDASA-N 0 1 550.543 7.721 1 0 KKAFMN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049774717 562678712 /nfs/dbraw/zinc/67/87/12/562678712.db2.gz ZWQKRBYKXNRWIE-HKBQPEDESA-N 0 1 623.867 5.973 1 0 KKAFMN CCCC[C@@H](CC)C(O)=C(NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC ZINC000049780197 562681427 /nfs/dbraw/zinc/68/14/27/562681427.db2.gz CQEARRKWGBDBGO-DUQIMVFOSA-N 0 1 660.877 7.048 1 0 KKAFMN Cc1nnc(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)[nH]1 ZINC000049785579 562684041 /nfs/dbraw/zinc/68/40/41/562684041.db2.gz YDDAIFXAUXVOFU-OAQYLSRUSA-N 0 1 542.854 6.835 1 0 KKAFMN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccs5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049802149 562685484 /nfs/dbraw/zinc/68/54/84/562685484.db2.gz GFOLTSIILMYURY-PMERELPUSA-N 0 1 628.908 6.639 1 0 KKAFMN C[C@@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)c1nn[nH]n1 ZINC000049853637 562689063 /nfs/dbraw/zinc/68/90/63/562689063.db2.gz GKQYYVGEGDRSBE-DHIUTWEWSA-N 0 1 637.209 7.854 1 0 KKAFMN CC(C)(C)OC(=O)NCCCCCN=C1Nc2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccccc1 ZINC000049867730 562689609 /nfs/dbraw/zinc/68/96/09/562689609.db2.gz VEEAJIJNOVSTTJ-LJAQVGFWSA-N 0 1 555.723 6.227 1 0 KKAFMN C[C@@H]1CC[C@H](C)[N@@H+]1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898789 562692826 /nfs/dbraw/zinc/69/28/26/562692826.db2.gz XBLHHIUFHRHWAV-ISILISOKSA-N 0 1 714.328 7.587 1 0 KKAFMN COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CCN4C)cc3)c1OC)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000049899406 562693084 /nfs/dbraw/zinc/69/30/84/562693084.db2.gz JKZGCTOQBIITDP-VMPREFPWSA-N 0 1 698.813 6.466 1 0 KKAFMN O=C(CN1CCCC1)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)CN5CCCC5)cc4)c3)c2)cc1 ZINC000049899581 562693263 /nfs/dbraw/zinc/69/32/63/562693263.db2.gz CROYNBMTRRPDSN-UHFFFAOYSA-N 0 1 702.816 5.904 1 0 KKAFMN CCN1CC[C@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049908034 562693443 /nfs/dbraw/zinc/69/34/43/562693443.db2.gz BETUISKNIITDDN-YTTGMZPUSA-N 0 1 673.726 7.874 1 0 KKAFMN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(F)c(Cl)cc4[nH]3)c(F)c2)CC1 ZINC000049918099 562694467 /nfs/dbraw/zinc/69/44/67/562694467.db2.gz CYGQDDBYEKVHJS-UHFFFAOYSA-N 0 1 574.459 5.766 1 0 KKAFMN CCN1CCN(Cc2cc(-c3cnn4c3nccc4-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)co2)CC1 ZINC000049946888 562695646 /nfs/dbraw/zinc/69/56/46/562695646.db2.gz DATHYHLOJYBUAS-UHFFFAOYSA-N 0 1 574.607 6.065 1 0 KKAFMN CN1CCN(c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5ccc6c(c5)OC(F)(F)O6)ccc4Cl)cn3)cc2)CC1 ZINC000053050595 562696144 /nfs/dbraw/zinc/69/61/44/562696144.db2.gz WNUWKJKIAMXFRA-UHFFFAOYSA-N 0 1 622.032 5.452 1 0 KKAFMN CCCN(c1ncc(C(F)(F)F)cn1)C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000053073864 562696167 /nfs/dbraw/zinc/69/61/67/562696167.db2.gz OGKWLTVICQOPPH-MLKSZZLFSA-N 0 1 591.694 5.674 1 0 KKAFMN CCCN(c1ncc(C(F)(F)F)cn1)C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000053073864 562696168 /nfs/dbraw/zinc/69/61/68/562696168.db2.gz OGKWLTVICQOPPH-MLKSZZLFSA-N 0 1 591.694 5.674 1 0 KKAFMN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000053206577 562696495 /nfs/dbraw/zinc/69/64/95/562696495.db2.gz JZLAJYOZJKREKH-UHFFFAOYSA-N 0 1 589.622 5.804 1 0 in-vitro KKAFMN COc1ccc(OC)c(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c1 ZINC000053276161 562697069 /nfs/dbraw/zinc/69/70/69/562697069.db2.gz KRTUJRKFKLHMBT-UHFFFAOYSA-N 0 1 568.678 5.943 1 0 KKAFMN CN1CCN(c2cnc3c(Oc4ccc(NC(=O)Nc5cc(C(C)(C)C)nn5-c5ccccc5)c(F)c4)ccnc3n2)CC1 ZINC000058534241 562698663 /nfs/dbraw/zinc/69/86/63/562698663.db2.gz NOVHPHRYEJIURW-UHFFFAOYSA-N 0 1 595.683 5.835 1 0 KKAFMN Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3ccnc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O ZINC000058660620 562701438 /nfs/dbraw/zinc/70/14/38/562701438.db2.gz MNEPYBOQUOAGHK-UHFFFAOYSA-N 0 1 663.581 5.667 1 0 KKAFMN COc1ccc([C@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2cccs2)cc1 ZINC000061906944 562703065 /nfs/dbraw/zinc/70/30/65/562703065.db2.gz IRICOWBXTOLKEW-VWLOTQADSA-N 0 1 519.494 6.060 3 0 KKAFMN O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061926666 562703615 /nfs/dbraw/zinc/70/36/15/562703615.db2.gz YUSFAECYGXYGSW-MUUNZHRXSA-N 0 1 521.558 6.511 3 0 KKAFMN Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(N3CCN(CCSc4ccccc4)CC3)n1-2 ZINC000064235518 562704593 /nfs/dbraw/zinc/70/45/93/562704593.db2.gz IGKAUDJHJBPFMD-UHFFFAOYSA-N 0 1 549.531 5.839 3 0 KKAFMN CCN1CC2=C(N=C3N(c4ccccc4)N=C(C(C)=O)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064453591 562705636 /nfs/dbraw/zinc/70/56/36/562705636.db2.gz GWZWYWRLKFPZBS-PTEVRWOPSA-N 0 1 515.661 6.112 1 0 KKAFMN C[C@@H](CN[C@@H](C(=O)Nc1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)N1CCOCC1 ZINC000066100831 562711333 /nfs/dbraw/zinc/71/13/33/562711333.db2.gz JSZDJCIBUSBZII-CGMFQWDHSA-N 0 1 629.805 6.455 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066156854 562713842 /nfs/dbraw/zinc/71/38/42/562713842.db2.gz QILUDTBVFILERX-DSNGTPCMSA-N 0 1 624.562 5.285 3 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066156846 562713852 /nfs/dbraw/zinc/71/38/52/562713852.db2.gz FQJVVVYBFXQNMH-BALWLHIASA-N 0 1 584.544 5.527 3 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066166681 562714121 /nfs/dbraw/zinc/71/41/21/562714121.db2.gz JMGJNBNLVSLZKK-JQASONJCSA-N 0 1 631.770 5.646 3 0 KKAFMN CCN1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066260104 562715420 /nfs/dbraw/zinc/71/54/20/562715420.db2.gz HGCCDPILHOOZPK-UHFFFAOYSA-N 0 1 565.566 5.400 1 0 KKAFMN Cc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000071340814 562719835 /nfs/dbraw/zinc/71/98/35/562719835.db2.gz GBQLALWRLHAJHT-HTCWZNLXSA-N 0 1 537.063 6.731 1 0 KKAFMN CC(C)c1ccc(S(=O)(=O)N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cnccn3)CC2)cc1 ZINC000072103003 562720352 /nfs/dbraw/zinc/72/03/52/562720352.db2.gz XKGHUAMVEMIZQH-RUZDIDTESA-N 0 1 518.605 5.151 1 0 KKAFMN O=S(=O)([N-]c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072122108 562724396 /nfs/dbraw/zinc/72/43/96/562724396.db2.gz CVNUDPVQPWCUGZ-QTKNLHBISA-N 0 1 649.760 7.693 1 0 KKAFMN O=S(=O)([N-]c1ccc(C[C@H]2CC[C@H]([C@@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126804 562725423 /nfs/dbraw/zinc/72/54/23/562725423.db2.gz CVNUDPVQPWCUGZ-MZMVFCBMSA-N 0 1 649.760 7.693 1 0 KKAFMN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(F)cc2Cl)CC1 ZINC000072129882 562726548 /nfs/dbraw/zinc/72/65/48/562726548.db2.gz DWQMSRAMNVQTQN-BWMKXQIXSA-N 0 1 722.302 7.149 1 0 KKAFMN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(F)cc2Cl)CC1 ZINC000072129882 562726549 /nfs/dbraw/zinc/72/65/49/562726549.db2.gz DWQMSRAMNVQTQN-BWMKXQIXSA-N 0 1 722.302 7.149 1 0 KKAFMN O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072139731 562729035 /nfs/dbraw/zinc/72/90/35/562729035.db2.gz LQPTVZHZAJXDIG-SSEXGKCCSA-N 0 1 561.513 6.447 3 0 KKAFMN Nc1ccccc1NC(=O)CCCCCC(=O)Nc1cccc([C@H]2O[C@@H](c3ccc(CO)cc3)C[C@@H](CN3CCN(Cc4ccccc4)CC3)O2)c1 ZINC000072170650 562730359 /nfs/dbraw/zinc/73/03/59/562730359.db2.gz AAVPZQDZCOWSTD-IVTHGCCQSA-N 0 1 705.900 6.652 1 0 KKAFMN CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3OC)n[nH]c2-c2ccccc2)cc1 ZINC000072173265 562730875 /nfs/dbraw/zinc/73/08/75/562730875.db2.gz FZYCNLKMRNRESI-UHFFFAOYSA-N 0 1 503.668 6.006 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(-n4ccc5c4ccnc5NC(=O)c4ccccc4)cc3)cc2C(F)(F)F)CC1 ZINC000072177210 562731764 /nfs/dbraw/zinc/73/17/64/562731764.db2.gz HDLRMBIQCXLNSV-UHFFFAOYSA-N 0 1 641.698 7.078 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)c3)cc2C(F)(F)F)CC1 ZINC000072317167 562733186 /nfs/dbraw/zinc/73/31/86/562733186.db2.gz FVESJAXAINWQOW-UHFFFAOYSA-N 0 1 590.650 5.987 1 0 KKAFMN O=C(N[C@H](COCc1ccccc1)C(=O)N[C@@H]1CN2CCC1CC2)c1cccnc1Oc1ccc(C(F)(F)F)cc1Cl ZINC000073166941 562734537 /nfs/dbraw/zinc/73/45/37/562734537.db2.gz CJULAJSWQHZFAG-JWQCQUIFSA-N 0 1 603.041 5.072 1 0 KKAFMN O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000073167831 562734647 /nfs/dbraw/zinc/73/46/47/562734647.db2.gz KTGYQSLCEGJTLM-HKBQPEDESA-N 0 1 552.690 5.788 1 0 KKAFMN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000073169016 562734758 /nfs/dbraw/zinc/73/47/58/562734758.db2.gz UKNDGCUGOMNXCX-YVAXRKBESA-N 0 1 597.796 7.777 1 0 KKAFMN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000073170095 562734910 /nfs/dbraw/zinc/73/49/10/562734910.db2.gz QWXMZVFLKUQTRP-HKBQPEDESA-N 0 1 570.680 5.927 1 0 KKAFMN CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@@H]3c1ccc(Cl)cc1 ZINC000073408317 562738705 /nfs/dbraw/zinc/73/87/05/562738705.db2.gz DPRJQEGEYJLPKK-QFIPXVFZSA-N 0 1 548.990 6.093 1 0 KKAFMN CCCOc1cccc2c1CN[C@@H]([C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)([C@@H](C)CC)C1=O)C2 ZINC000082139814 562739237 /nfs/dbraw/zinc/73/92/37/562739237.db2.gz UNHYCLXMUBLSOA-WRCMOOMBSA-N 0 1 718.886 5.011 1 0 KKAFMN CN(CCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc21)CCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc21 ZINC000082191132 562742663 /nfs/dbraw/zinc/74/26/63/562742663.db2.gz OVCRCATWILSLDG-UHFFFAOYSA-N 0 1 657.778 6.762 1 0 KKAFMN CN(CCNC(=O)CCCCCC(=O)NCCN(C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536873 562754220 /nfs/dbraw/zinc/75/42/20/562754220.db2.gz AVUJTHSKHNOMQK-UHFFFAOYSA-N 0 1 833.821 6.862 1 0 KKAFMN COc1ccc(NC(=O)c2ccc(OCCCCCCCOc3ccc(C(=O)Nc4ccc(OC)c(N5CCN(C)CC5)c4)cc3)cc2)cc1N1CCN(C)CC1 ZINC000095544095 562757633 /nfs/dbraw/zinc/75/76/33/562757633.db2.gz OAMCIVAOVQHSQF-UHFFFAOYSA-N 0 1 778.995 7.120 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548848 562759542 /nfs/dbraw/zinc/75/95/42/562759542.db2.gz OWLIDSNTELINGK-VPIXHZGDSA-N 0 1 744.827 6.175 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548849 562759545 /nfs/dbraw/zinc/75/95/45/562759545.db2.gz OWLIDSNTELINGK-UYXHYHOQSA-N 0 1 744.827 6.175 1 0 KKAFMN O=c1cc(-c2ccc(OCCN(CCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccncc3)cc2)oc2ccccc12 ZINC000095554526 562761307 /nfs/dbraw/zinc/76/13/07/562761307.db2.gz NXMMFVWZDPEROW-UHFFFAOYSA-N 0 1 636.704 7.588 1 0 KKAFMN Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@@H](Oc4ccc(Cl)c(C)c4Cl)C[C@H]3C(=O)[O-])CC2)cc1 ZINC000095554608 562761351 /nfs/dbraw/zinc/76/13/51/562761351.db2.gz UTVOOLLPUMDSJS-IRLDBZIGSA-N 0 1 505.442 5.211 1 0 KKAFMN COc1ccc2nc(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)nc2c1 ZINC000095565793 562764689 /nfs/dbraw/zinc/76/46/89/562764689.db2.gz LGYGVSKIRRZPPR-UHFFFAOYSA-N 0 1 541.655 6.865 3 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095567059 562765479 /nfs/dbraw/zinc/76/54/79/562765479.db2.gz LYCSFODXVIYFGQ-FBPNTFGJSA-N 0 1 694.789 5.246 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095568157 562766381 /nfs/dbraw/zinc/76/63/81/562766381.db2.gz ALCLFRAJEMGOIC-LJKQEARRSA-N 0 1 652.667 5.029 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095569531 562767487 /nfs/dbraw/zinc/76/74/87/562767487.db2.gz APLMONIUGAOYQF-DIBPYXDISA-N 0 1 629.541 5.718 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095571190 562768823 /nfs/dbraw/zinc/76/88/23/562768823.db2.gz OCOAZZWZFVYNQI-VBEKBXFHSA-N 0 1 670.678 7.173 1 0 KKAFMN Cc1cn([C@H]2CCC[N@H+]([C@H](CC(C)C)c3ccc(C(=O)[O-])c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095572257 562769414 /nfs/dbraw/zinc/76/94/14/562769414.db2.gz DUMBOKZAFBZKLT-XUZZJYLKSA-N 0 1 526.033 5.413 1 0 in-vitro KKAFMN CNc1nc(-c2c(C3CCCC3)c3ccc(C(=O)N[C@@]4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CC[N@@H+](C)C4)cc3n2C)cs1 ZINC000095576503 562770659 /nfs/dbraw/zinc/77/06/59/562770659.db2.gz RAPDWQRDRBAQRD-JJWGZSDKSA-N 0 1 626.783 5.542 1 0 KKAFMN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@@H+](C)C3)ccc2c(C2CCCC2)c1-c1cscn1 ZINC000095576463 562770688 /nfs/dbraw/zinc/77/06/88/562770688.db2.gz BHSAPLFEJYRJGX-UOUHTQAHSA-N 0 1 597.741 5.500 1 0 KKAFMN O=C(CCc1ccccc1)O[C@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000095577039 562770828 /nfs/dbraw/zinc/77/08/28/562770828.db2.gz WTQCCWURXMRMMY-GBYFWFCKSA-N 0 1 619.161 6.990 1 0 KKAFMN CN(C)c1nc(-c2c(C3CCCC3)c3ccc(C(=O)N[C@@]4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CC[N@@H+](C)C4)cc3n2C)cs1 ZINC000095579283 562771524 /nfs/dbraw/zinc/77/15/24/562771524.db2.gz MUGRQFBJCYKZHM-ROUJASAGSA-N 0 1 640.810 5.566 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095598797 562777537 /nfs/dbraw/zinc/77/75/37/562777537.db2.gz BYUWMZXSAAGXAD-SEXOINJZSA-N 0 1 606.572 5.146 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599182 562777815 /nfs/dbraw/zinc/77/78/15/562777815.db2.gz JUEHVKXRGUAEIX-HOPFVHLTSA-N 0 1 753.690 8.584 1 0 KKAFMN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095599259 562777947 /nfs/dbraw/zinc/77/79/47/562777947.db2.gz ZIZWTQGIFKHADQ-UMQWNRPGSA-N 0 1 620.599 5.455 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095599301 562777942 /nfs/dbraw/zinc/77/79/42/562777942.db2.gz NLNOREAGNASAOL-FVCFNFBRSA-N 0 1 643.872 5.476 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599574 562778194 /nfs/dbraw/zinc/77/81/94/562778194.db2.gz LZRMYYQDLQFCEK-UBGOJMQMSA-N 0 1 728.809 7.006 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599974 562778483 /nfs/dbraw/zinc/77/84/83/562778483.db2.gz GQVRJEGSXSCMGQ-RDXDNIQESA-N 0 1 650.780 5.517 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600196 562778704 /nfs/dbraw/zinc/77/87/04/562778704.db2.gz ZKPAWGOFKUDAFA-WTRZPYMOSA-N 0 1 685.788 6.672 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600333 562778836 /nfs/dbraw/zinc/77/88/36/562778836.db2.gz JUEHVKXRGUAEIX-ZCKQCUHLSA-N 0 1 753.690 8.584 1 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095600637 562779083 /nfs/dbraw/zinc/77/90/83/562779083.db2.gz ISGWUMSRLISZDA-RLJUXYCZSA-N 0 1 720.760 7.030 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095600806 562779212 /nfs/dbraw/zinc/77/92/12/562779212.db2.gz QWTHGLUFUCUWTA-JALBGMRZSA-N 0 1 684.705 7.102 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095600806 562779213 /nfs/dbraw/zinc/77/92/13/562779213.db2.gz QWTHGLUFUCUWTA-JALBGMRZSA-N 0 1 684.705 7.102 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095601308 562779533 /nfs/dbraw/zinc/77/95/33/562779533.db2.gz CBAAPWVHONFTKW-DWLUSBQNSA-N 0 1 724.843 6.039 1 0 KKAFMN O=C(Nc1cc(Br)ccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095602085 562779875 /nfs/dbraw/zinc/77/98/75/562779875.db2.gz OJRCSESGEQSIMB-ICKFRXAFSA-N 0 1 690.598 6.488 1 0 KKAFMN Nc1nc(-c2cccc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2)cc2nc(-c3ccco3)nn21 ZINC000095606423 562782096 /nfs/dbraw/zinc/78/20/96/562782096.db2.gz ZSBWBRYZRRUMHA-UHFFFAOYSA-N 0 1 520.424 5.263 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095819197 562789236 /nfs/dbraw/zinc/78/92/36/562789236.db2.gz ORNNHAIJDBYIOA-HNMNOHOESA-N 0 1 590.592 5.793 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(C(=O)Nc3ccccc3N)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867161 562789837 /nfs/dbraw/zinc/78/98/37/562789837.db2.gz WCXPCWVVNYKWAF-VWGARZEKSA-N 0 1 659.831 6.170 1 0 KKAFMN CCCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12 ZINC000096169811 562790831 /nfs/dbraw/zinc/79/08/31/562790831.db2.gz DSXZRXGQDUOYMH-UHFFFAOYSA-N 0 1 533.076 5.071 1 0 KKAFMN COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3)nc12 ZINC000096169833 562790887 /nfs/dbraw/zinc/79/08/87/562790887.db2.gz QNYSUBQXCIWNDI-UHFFFAOYSA-N 0 1 519.049 5.070 1 0 KKAFMN O=C1Nc2ncccc2[C@@]12Cc1cc3cc(CN4C(=O)C5(CCCC5)NCC[C@H]4c4cc(F)cc(F)c4)ccc3nc1C2 ZINC000096170603 562791186 /nfs/dbraw/zinc/79/11/86/562791186.db2.gz FIBNNPJFROULPW-ZQAZVOLISA-N 0 1 579.651 5.273 1 0 KKAFMN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cn3)c3nc(C)c(C)nc23)c1Cl ZINC000096173418 562791406 /nfs/dbraw/zinc/79/14/06/562791406.db2.gz QVHRLAQYPAUDKQ-UHFFFAOYSA-N 0 1 595.531 5.632 1 0 KKAFMN CCN1CCN(Cc2cnc3c(C(=O)Nc4cccnc4)ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)CC1 ZINC000096173407 562791416 /nfs/dbraw/zinc/79/14/16/562791416.db2.gz UTOCNGOVOZNSQE-UHFFFAOYSA-N 0 1 581.504 5.406 1 0 KKAFMN CC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174088 562791659 /nfs/dbraw/zinc/79/16/59/562791659.db2.gz MFIITRQUHPBFOR-UHFFFAOYSA-N 0 1 605.724 5.199 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4CC[NH+](C)CC4)nc32)c1 ZINC000096175747 562791963 /nfs/dbraw/zinc/79/19/63/562791963.db2.gz UWXGTHDUBMHDAY-UHFFFAOYSA-N 0 1 631.803 5.816 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@H]4CCC[NH2+]C4)nc32)c1 ZINC000096175761 562791979 /nfs/dbraw/zinc/79/19/79/562791979.db2.gz AEOHYBTWLQNTOV-NRFANRHFSA-N 0 1 617.776 5.474 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4CC[NH+](CC5CC5)CC4)nc32)c1 ZINC000096175750 562791981 /nfs/dbraw/zinc/79/19/81/562791981.db2.gz HPECYJSWEBDFOA-UHFFFAOYSA-N 0 1 671.868 6.596 1 0 KKAFMN CC[NH+]1CCC(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175748 562791983 /nfs/dbraw/zinc/79/19/83/562791983.db2.gz OVBSBVYGZHPFCX-UHFFFAOYSA-N 0 1 645.830 6.206 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@@H]4CCC[NH2+]C4)nc32)c1 ZINC000096175760 562792005 /nfs/dbraw/zinc/79/20/05/562792005.db2.gz AEOHYBTWLQNTOV-OAQYLSRUSA-N 0 1 617.776 5.474 1 0 KKAFMN Cc1c[nH]c2nc(Nc3cc(C)c(C4CCN(C[C@@H](O)C(F)(F)F)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177943 562792528 /nfs/dbraw/zinc/79/25/28/562792528.db2.gz CHLJQWZELDYSRJ-GDLZYMKVSA-N 0 1 688.817 7.134 1 0 KKAFMN Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5ccccc54)CC3)CC2)ccn1 ZINC000096285180 562795478 /nfs/dbraw/zinc/79/54/78/562795478.db2.gz CSHNEQFLMBVIPC-UHFFFAOYSA-N 0 1 517.674 5.262 1 0 KKAFMN O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000096285451 562795723 /nfs/dbraw/zinc/79/57/23/562795723.db2.gz HHCBWVIBTCVDEC-YTTGMZPUSA-N 0 1 509.694 7.255 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(F)ccc5OC)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905562 562798540 /nfs/dbraw/zinc/79/85/40/562798540.db2.gz WEGDGZJWSDEEAX-NYYSUTQYSA-N 0 1 522.617 5.174 1 0 KKAFMN Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c(C)c2)c1 ZINC000096909586 562799596 /nfs/dbraw/zinc/79/95/96/562799596.db2.gz FLHAKNPXXYWQAC-QABMSTFYSA-N 0 1 501.671 5.766 1 0 KKAFMN Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c([O-])c2)c1 ZINC000096909588 562799634 /nfs/dbraw/zinc/79/96/34/562799634.db2.gz STZFLPFWXMKCLF-RBISFHTESA-N 0 1 503.643 5.164 1 0 KKAFMN Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c([O-])c2)c1 ZINC000096909588 562799635 /nfs/dbraw/zinc/79/96/35/562799635.db2.gz STZFLPFWXMKCLF-RBISFHTESA-N 0 1 503.643 5.164 1 0 KKAFMN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NS(=O)(=O)c2ccc(OC)cc2OC)cc1 ZINC000096915295 562800956 /nfs/dbraw/zinc/80/09/56/562800956.db2.gz GCIAVWIMFZHUMS-PILPWRDFSA-N 0 1 705.833 6.976 1 0 KKAFMN CCN1CCN(CN2C(=O)S[C@@H](N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000096921567 562801462 /nfs/dbraw/zinc/80/14/62/562801462.db2.gz MVJZVYGZPFMUAF-XTEPFMGCSA-N 0 1 548.112 5.261 1 0 KKAFMN COc1ccc2c(c1)oc(=O)c(-c1ccccc1)c2OCCCN1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000098085294 562805808 /nfs/dbraw/zinc/80/58/08/562805808.db2.gz BHVXNFFKZADHCS-UHFFFAOYSA-N 0 1 553.486 6.362 1 0 KKAFMN O=c1oc2c(c([O-])c1[C@@H](c1cccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000100764455 562807704 /nfs/dbraw/zinc/80/77/04/562807704.db2.gz BVTSKKVADLFLSG-SSEXGKCCSA-N 0 1 619.761 6.131 1 0 KKAFMN CN1CC[NH+](CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696466 562811908 /nfs/dbraw/zinc/81/19/08/562811908.db2.gz IQLIAFSKLHLNBU-UHFFFAOYSA-N 0 1 555.700 5.291 1 0 KKAFMN CC(C)N1CCN(C(=O)COc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696582 562811941 /nfs/dbraw/zinc/81/19/41/562811941.db2.gz WAQBFBZSBDGNGY-UHFFFAOYSA-N 0 1 597.737 5.596 1 0 KKAFMN CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)N[C@]32c3cc(F)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000101923831 562812368 /nfs/dbraw/zinc/81/23/68/562812368.db2.gz GYWJPHPCAQKQDJ-NWTPYJHPSA-N 0 1 631.748 6.328 1 0 KKAFMN O=c1oc2c(c(O)c1[C@H](c1cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000102226847 562812975 /nfs/dbraw/zinc/81/29/75/562812975.db2.gz CMIDXRRKZXDMQP-HKBQPEDESA-N 0 1 569.723 6.942 1 0 KKAFMN Clc1ccc(OCc2ccccc2-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cs2)cc1 ZINC000103187452 562815467 /nfs/dbraw/zinc/81/54/67/562815467.db2.gz JDLQPMANXSQNMJ-UHFFFAOYSA-N 0 1 566.170 7.950 1 0 KKAFMN O[C@H](CSc1nnc(-c2ccc(Br)cc2)c2ccccc21)CN1CCN(c2ccccc2)CC1 ZINC000103189320 562815603 /nfs/dbraw/zinc/81/56/03/562815603.db2.gz SSZZSDMUSFBOKZ-QHCPKHFHSA-N 0 1 535.511 5.335 1 0 KKAFMN CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=S)Nc2ccccc2Cl)CC1 ZINC000103189659 562815641 /nfs/dbraw/zinc/81/56/41/562815641.db2.gz PNQRKDQRRQJFRK-UHFFFAOYSA-N 0 1 590.138 5.440 1 0 KKAFMN CC(C)N1CCN(c2nc(Oc3cccc4cccnc43)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)CC1 ZINC000103206187 562816448 /nfs/dbraw/zinc/81/64/48/562816448.db2.gz MRGLWPTUTWZFBV-UHFFFAOYSA-N 0 1 594.657 5.050 1 0 KKAFMN Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)c3)nn12 ZINC000103248899 562820142 /nfs/dbraw/zinc/82/01/42/562820142.db2.gz IWZJZQBREKMRMD-UHFFFAOYSA-N 0 1 569.474 5.197 1 0 KKAFMN O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3cccc(-c4ccc5nc[nH]c5c4)c3C(F)(F)F)cc12 ZINC000103262417 562821655 /nfs/dbraw/zinc/82/16/55/562821655.db2.gz YTPAPRNGVGTFRK-UHFFFAOYSA-N 0 1 566.461 7.217 1 0 KKAFMN O=S(=O)([N-]c1ccc(Cl)nn1)c1ccc(NCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103271867 562823046 /nfs/dbraw/zinc/82/30/46/562823046.db2.gz DHCMUIWDDNKCSB-GDLZYMKVSA-N 0 1 597.572 5.403 1 0 KKAFMN Cn1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)nc4)cc3=O)ccc2c2c1C[C@H]1CCCCN1C2 ZINC000113184623 562826299 /nfs/dbraw/zinc/82/62/99/562826299.db2.gz XWPGBIBRTXZJOU-LJQANCHMSA-N 0 1 508.544 5.233 1 0 KKAFMN COc1ccccc1CN1CCS[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100676 562827673 /nfs/dbraw/zinc/82/76/73/562827673.db2.gz KWZCIYQABOCHKE-VWLOTQADSA-N 0 1 519.107 5.112 1 0 KKAFMN COc1ccccc1CN1CCS[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100678 562827723 /nfs/dbraw/zinc/82/77/23/562827723.db2.gz KWZCIYQABOCHKE-RUZDIDTESA-N 0 1 519.107 5.112 1 0 KKAFMN CS(=O)(=O)Nc1ccccc1-c1ccc2nc(C=Cc3ccc(OCC(F)(F)C(F)(F)F)cc3)[nH]c2c1 ZINC000117147420 562829671 /nfs/dbraw/zinc/82/96/71/562829671.db2.gz XVFCGAOAQYWTAG-MDWZMJQESA-N 0 1 537.510 6.348 1 0 KKAFMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cn2c3cc(C(=O)[O-])sc3c(C3CCCCC3)c2-c2ccccc2)C1 ZINC000141680573 562833728 /nfs/dbraw/zinc/83/37/28/562833728.db2.gz RYYUKEJROBXCFE-QFIPXVFZSA-N 0 1 507.700 6.057 1 0 KKAFMN Cc1[nH]nc2ccc(C)c(-c3nc4c(c(N5CCOC[C@H]5C)n3)CN(c3cc(C(C)C)ccc3C)CC4)c21 ZINC000147016161 562839087 /nfs/dbraw/zinc/83/90/87/562839087.db2.gz BQPSULXVYOMPJL-OAQYLSRUSA-N 0 1 510.686 5.856 1 0 KKAFMN CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147374908 562839319 /nfs/dbraw/zinc/83/93/19/562839319.db2.gz GUJUTYDTGYGUNR-RAHWXXEKSA-N 0 1 596.563 6.152 1 0 KKAFMN C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cccc(-c4cnn(C)c4)c3[nH]2)C1=O ZINC000147700884 562839540 /nfs/dbraw/zinc/83/95/40/562839540.db2.gz REEVNNVIACPKKS-LDLUVENISA-N 0 1 509.541 5.281 1 0 KKAFMN CNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148144450 562840324 /nfs/dbraw/zinc/84/03/24/562840324.db2.gz ILZREVYAOMTVEJ-UHFFFAOYSA-N 0 1 536.562 5.380 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cncnc21 ZINC000148431794 562841288 /nfs/dbraw/zinc/84/12/88/562841288.db2.gz WGJZQEOIFZOUFM-UHFFFAOYSA-N 0 1 507.520 5.339 1 0 KKAFMN COc1cccc(C[N@H+]2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148846435 562841917 /nfs/dbraw/zinc/84/19/17/562841917.db2.gz COPODLXHIVJYHK-QHCPKHFHSA-N 0 1 501.067 5.407 1 0 KKAFMN CO[C@@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)CC1(C)C ZINC000149136001 562842194 /nfs/dbraw/zinc/84/21/94/562842194.db2.gz QLALMDHEPIQMLU-AREMUKBSSA-N 0 1 578.683 6.778 1 0 KKAFMN CO[C@H]1CCN(c2nc(-c3c4c(ccc3C)n[nH]c4C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C ZINC000149152343 562842283 /nfs/dbraw/zinc/84/22/83/562842283.db2.gz AZVDCMWACRSDFZ-LJAQVGFWSA-N 0 1 552.767 6.883 1 0 KKAFMN CO[C@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2cc(C(F)(F)F)nn2C)CC3)CC1(C)C ZINC000149159431 562842304 /nfs/dbraw/zinc/84/23/04/562842304.db2.gz PAQFBPDZTJXWRG-QFIPXVFZSA-N 0 1 568.648 5.203 1 0 KKAFMN CO[C@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C ZINC000149163683 562842336 /nfs/dbraw/zinc/84/23/36/562842336.db2.gz GQEOCXVLXYTOAW-QHCPKHFHSA-N 0 1 575.161 5.715 1 0 KKAFMN [NH3+]CCc1c2ccc(Br)cc2[nH]c1[C@@H](c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1[nH]c2cc(Br)ccc2c1CC[N-]C(=O)C(F)(F)F ZINC000150522777 562843531 /nfs/dbraw/zinc/84/35/31/562843531.db2.gz IFCHILTVHARJQZ-MGBGTMOVSA-N 0 1 841.548 8.268 1 0 KKAFMN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3c2cccc3N(C(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)S(=O)(=O)C(F)(F)F)cc1 ZINC000150522837 562843560 /nfs/dbraw/zinc/84/35/60/562843560.db2.gz QJDHLGSDAYDEDS-LDADJPATSA-N 0 1 768.766 5.181 1 0 KKAFMN O[C@@H](COC(c1ccc(Br)cc1)c1ccc(Br)cc1)CN1CCN(C[C@@H](O)COC(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000150539986 562844146 /nfs/dbraw/zinc/84/41/46/562844146.db2.gz DYOBYBGEQNJWAA-KKLWWLSJSA-N 0 1 882.326 7.988 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584323 562845690 /nfs/dbraw/zinc/84/56/90/562845690.db2.gz KHNPPFOCVAHBIR-WNOXWKSXSA-N 0 1 776.323 6.906 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584318 562845703 /nfs/dbraw/zinc/84/57/03/562845703.db2.gz KHNPPFOCVAHBIR-GOJCVTOHSA-N 0 1 776.323 6.906 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)cc5Cl)cc4)nc(N(C)C)n3)ccc12 ZINC000150586626 562845851 /nfs/dbraw/zinc/84/58/51/562845851.db2.gz MXBBIXMSZWRKRS-PZSMLTKBSA-N 0 1 810.768 7.560 1 0 KKAFMN COc1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1NS(C)(=O)=O ZINC000150603049 562847349 /nfs/dbraw/zinc/84/73/49/562847349.db2.gz TWGTWIKMLGTGCM-QHCPKHFHSA-N 0 1 647.480 5.538 1 0 KKAFMN CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150603398 562847442 /nfs/dbraw/zinc/84/74/42/562847442.db2.gz XMAZSFZDDZFBNC-IJERZTCISA-N 0 1 770.979 7.925 1 0 KKAFMN CN1CCN(c2ccc(F)cc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606270 562847872 /nfs/dbraw/zinc/84/78/72/562847872.db2.gz URWOBHXKJKTXDM-AFPLUKJUSA-N 0 1 664.892 5.428 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)c(F)c3)ccc2[nH]1)C(C)C ZINC000163852103 562849438 /nfs/dbraw/zinc/84/94/38/562849438.db2.gz SYWQREZGHMATEL-ZYADHFCISA-N 0 1 780.902 7.001 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)c(F)c3)cc2[nH]1)C(C)C ZINC000163852103 562849439 /nfs/dbraw/zinc/84/94/39/562849439.db2.gz SYWQREZGHMATEL-ZYADHFCISA-N 0 1 780.902 7.001 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)c(F)c3)cc2[nH]1)C(C)C ZINC000163852103 562849440 /nfs/dbraw/zinc/84/94/40/562849440.db2.gz SYWQREZGHMATEL-ZYADHFCISA-N 0 1 780.902 7.001 1 0 KKAFMN CCN1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5c(N)nc(N6CC[C@H](F)C6)nc45)c3)cc(C(F)(F)F)c2)CC1 ZINC000165257211 562849958 /nfs/dbraw/zinc/84/99/58/562849958.db2.gz QHFXABQGUZFGBC-NRFANRHFSA-N 0 1 638.674 5.015 1 0 KKAFMN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC(N6C[C@@H](C)O[C@@H](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000165281728 562850059 /nfs/dbraw/zinc/85/00/59/562850059.db2.gz DRFCRUIAPYTWHE-OYRHEFFESA-N 0 1 650.706 5.830 1 0 KKAFMN CCOCC[N@H+]1C[C@]23CC[C@]2(CN(C(=O)[C@]24C[C@H]2c2cc(OC)ccc2-c2c(C5CCCCC5)c5ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc5n2C4)C3)C1 ZINC000165391576 562850185 /nfs/dbraw/zinc/85/01/85/562850185.db2.gz XZIXUSDKGAOJJD-WHGPXECPSA-N 0 1 742.983 6.281 1 0 KKAFMN CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)n1 ZINC000168924879 562851584 /nfs/dbraw/zinc/85/15/84/562851584.db2.gz ZROPISXBHMLTRK-UHFFFAOYSA-N 0 1 534.951 5.324 1 0 KKAFMN CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(F)cc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)n1 ZINC000168924879 562851585 /nfs/dbraw/zinc/85/15/85/562851585.db2.gz ZROPISXBHMLTRK-UHFFFAOYSA-N 0 1 534.951 5.324 1 0 KKAFMN CC1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 ZINC000169312980 562855553 /nfs/dbraw/zinc/85/55/53/562855553.db2.gz SFOQNXCTRWOOCM-HFZWTBJMSA-N 0 1 610.590 6.542 1 0 KKAFMN COc1ccc(C2=NC3(CCC(C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)cc1 ZINC000169312976 562855568 /nfs/dbraw/zinc/85/55/68/562855568.db2.gz CLUJBHXFHKEVAR-ZLMSPKLFSA-N 0 1 613.807 6.270 1 0 KKAFMN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2cccc3cnccc23)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000169318357 562856078 /nfs/dbraw/zinc/85/60/78/562856078.db2.gz OLKVTXLHFCLBRH-WGCZEJCWSA-N 0 1 765.945 5.110 1 0 KKAFMN O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000169701281 562868008 /nfs/dbraw/zinc/86/80/08/562868008.db2.gz FXJNQJYEWRFHCH-LUKWVAJMSA-N 0 1 559.854 6.107 1 0 KKAFMN CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1=C(O)c1ccc2c(c1OC)OCO2 ZINC000195969857 562872409 /nfs/dbraw/zinc/87/24/09/562872409.db2.gz ZGTFYUUHNMVNKA-NEWDRJDRSA-N 0 1 686.795 6.020 1 0 KKAFMN O=c1oc2c(Cl)c(OCCCCN3CCN(c4nsc5ccccc54)CC3)ccc2c2c1CCC2 ZINC000199507777 562873012 /nfs/dbraw/zinc/87/30/12/562873012.db2.gz QTBDNKYGSAPFRG-UHFFFAOYSA-N 0 1 510.059 5.526 1 0 KKAFMN CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO ZINC000201956326 562873597 /nfs/dbraw/zinc/87/35/97/562873597.db2.gz NEFWYBQTGGELJS-PFFFZIHFSA-N 0 1 623.823 5.516 1 0 KKAFMN C[NH+]1CC(n2nccc2-c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)[N-]c4nccs4)ccc32)C1 ZINC000215496035 562877362 /nfs/dbraw/zinc/87/73/62/562877362.db2.gz PDLLWGDFTHJSJG-UHFFFAOYSA-N 0 1 569.634 6.133 1 0 KKAFMN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN5CCN(C)CC5)cc4)c3c2)cc(Cl)c1O ZINC000219352865 562878085 /nfs/dbraw/zinc/87/80/85/562878085.db2.gz TVOHPWPOEPGDRX-UHFFFAOYSA-N 0 1 557.094 6.353 1 0 KKAFMN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(OC)c1 ZINC000220160767 562878384 /nfs/dbraw/zinc/87/83/84/562878384.db2.gz XIGBIOBQRBOYIG-UHFFFAOYSA-N 0 1 509.628 5.350 1 0 KKAFMN O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000220463840 562878526 /nfs/dbraw/zinc/87/85/26/562878526.db2.gz DAVNJIBUEPOVGD-UHFFFAOYSA-N 0 1 569.605 5.264 1 0 KKAFMN CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc3n1C2 ZINC000222512075 562879872 /nfs/dbraw/zinc/87/98/72/562879872.db2.gz MTTZZZXOFXUQFU-JNNSWRJTSA-N 0 1 673.880 5.083 1 0 KKAFMN COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1c(F)cc3c(ncn3C)c1F)c1nc-2c(Cl)[nH]1 ZINC000230573159 562881118 /nfs/dbraw/zinc/88/11/18/562881118.db2.gz QVGWMXIALYNAQS-LRDDRELGSA-N 0 1 585.999 5.303 1 0 KKAFMN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H](C)N(C)[C@@H](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299826958 562884029 /nfs/dbraw/zinc/88/40/29/562884029.db2.gz FJTHZODJYYGEFT-ZRZAMGCNSA-N 0 1 568.722 5.230 1 0 KKAFMN C[N@@H+](CCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cc(=O)c(OCc2ccccc2)cn1C1CC1 ZINC000299834046 562886383 /nfs/dbraw/zinc/88/63/83/562886383.db2.gz BASQNHWJHDNLLO-UHFFFAOYSA-N 0 1 503.046 5.898 1 0 KKAFMN CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(O)cc1O ZINC000299835756 562886934 /nfs/dbraw/zinc/88/69/34/562886934.db2.gz LLRLVSMTALSDMY-HDICACEKSA-N 0 1 505.615 5.501 1 0 KKAFMN COc1cc(OC)cc(OCc2ccc(CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1 ZINC000299841351 562888825 /nfs/dbraw/zinc/88/88/25/562888825.db2.gz ZIZYDSXUKDCJRL-UHFFFAOYSA-N 0 1 501.454 5.954 1 0 KKAFMN CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C=C(C)C(=O)N2 ZINC000299844319 562889271 /nfs/dbraw/zinc/88/92/71/562889271.db2.gz VFYNXKZVOUXHDX-JEWAHJPPSA-N 0 1 810.938 5.296 1 0 KKAFMN CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)[C@@H]1CCCN1)C4(C)C)C(C)(C)O ZINC000299849757 562890539 /nfs/dbraw/zinc/89/05/39/562890539.db2.gz TYHRHGKEKZZMKD-WPPBNBNHSA-N 0 1 629.879 5.166 1 0 KKAFMN C[N@@H+](CCOC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000299861086 562893189 /nfs/dbraw/zinc/89/31/89/562893189.db2.gz HTIZULDALLMMIY-LEWJYISDSA-N 0 1 503.483 6.405 1 0 KKAFMN CCN1c2ccccc2[C@]2(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)C1=O ZINC000299867658 562894905 /nfs/dbraw/zinc/89/49/05/562894905.db2.gz QMNWXKSGOPPJNR-OOSFPBDASA-N 0 1 601.747 5.587 1 0 KKAFMN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCCN2CCOCC2)COC1=O ZINC000473087666 562897231 /nfs/dbraw/zinc/89/72/31/562897231.db2.gz LKCYQANLXYZXJE-DEICMYPCSA-N 0 1 723.816 5.356 1 0 KKAFMN COc1ccc(C[C@H]2c3ccc(NCCCC(=O)OC(C)(C)C)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000473094812 562897823 /nfs/dbraw/zinc/89/78/23/562897823.db2.gz WHVXVHKHGIXKRO-PMERELPUSA-N 0 1 587.761 5.696 1 0 KKAFMN CC[N@@H+](CCCCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1OC ZINC000473114026 562898855 /nfs/dbraw/zinc/89/88/55/562898855.db2.gz LJSZZRNHEBXEOA-UHFFFAOYSA-N 0 1 575.702 6.956 1 0 KKAFMN COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(-c3cccc(F)c3)ccc2OC)c1 ZINC000473115845 562899047 /nfs/dbraw/zinc/89/90/47/562899047.db2.gz URRWWESPSSINPY-UHFFFAOYSA-N 0 1 549.624 5.153 1 0 KKAFMN CC[N@H+](CCCCCCOc1cccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473117294 562899163 /nfs/dbraw/zinc/89/91/63/562899163.db2.gz YJRNMQLYGRHJSW-UHFFFAOYSA-N 0 1 561.675 6.653 1 0 KKAFMN CC[N@@H+](CCCCCCOc1cccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473117294 562899164 /nfs/dbraw/zinc/89/91/64/562899164.db2.gz YJRNMQLYGRHJSW-UHFFFAOYSA-N 0 1 561.675 6.653 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3c(C)cc(C)cc3C)cc1)CC2 ZINC000473135522 562900814 /nfs/dbraw/zinc/90/08/14/562900814.db2.gz JCSXIYAZSLTKKK-UHFFFAOYSA-N 0 1 613.780 6.283 1 0 KKAFMN COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc1)CC2 ZINC000473135522 562900815 /nfs/dbraw/zinc/90/08/15/562900815.db2.gz JCSXIYAZSLTKKK-UHFFFAOYSA-N 0 1 613.780 6.283 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc1)CC2 ZINC000473135522 562900816 /nfs/dbraw/zinc/90/08/16/562900816.db2.gz JCSXIYAZSLTKKK-UHFFFAOYSA-N 0 1 613.780 6.283 1 0 KKAFMN CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136638 562901106 /nfs/dbraw/zinc/90/11/06/562901106.db2.gz TWRGSFQMYKPGBO-VMVXDNPCSA-N 0 1 536.701 6.780 1 0 KKAFMN CCCCN(CC)c1cc(C)nc2c1N(C)C(=O)CN2c1ccc(Br)cc1Br ZINC000473151853 562901691 /nfs/dbraw/zinc/90/16/91/562901691.db2.gz RSHLUFXLPYPJHG-UHFFFAOYSA-N 0 1 510.274 5.656 1 0 KKAFMN Cc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473228737 562904210 /nfs/dbraw/zinc/90/42/10/562904210.db2.gz ASAZRPIUVWJKDZ-MYIHVTGJSA-N 0 1 568.114 5.302 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]2CCc3c2ccc(Cl)c3C)ccc1OCCN1C(=O)CCC1=O ZINC000473228752 562904214 /nfs/dbraw/zinc/90/42/14/562904214.db2.gz CIMDAFFIXUWZQD-WHCXKFMVSA-N 0 1 583.125 5.565 1 0 KKAFMN CN1CC(=O)N(CCOc2ccc(C[N@@H+](C[C@H]3CC[C@H](C(=O)[O-])CC3)[C@H]3CCc4cc(Cl)ccc43)cc2Cl)C1=O ZINC000473228974 562904379 /nfs/dbraw/zinc/90/43/79/562904379.db2.gz ZCXBVFTUPSCPFJ-ZVOVDXHFSA-N 0 1 588.532 5.647 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCCC1=O ZINC000473228967 562904410 /nfs/dbraw/zinc/90/44/10/562904410.db2.gz YLQYHTRIGFZMOZ-VDKIKQQVSA-N 0 1 578.706 5.002 1 0 KKAFMN O=C(Cn1cc(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)nn1)Nc1c(C(F)(F)F)n[nH]c1-c1ccccc1 ZINC000473248968 562905080 /nfs/dbraw/zinc/90/50/80/562905080.db2.gz RIJGUFDRWVOVNE-UHFFFAOYSA-N 0 1 582.546 5.409 1 0 KKAFMN CCCCCNc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603337 562905233 /nfs/dbraw/zinc/90/52/33/562905233.db2.gz BVVJNIXKEAOEEH-GDLZYMKVSA-N 0 1 515.698 5.764 1 0 KKAFMN COc1ccc(C[C@@H]2c3ccc(NCCCc4ccccc4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474607958 562905457 /nfs/dbraw/zinc/90/54/57/562905457.db2.gz KRPXDFJBGKVXTA-MGBGTMOVSA-N 0 1 563.742 6.207 1 0 KKAFMN COc1ccc(C[C@@H]2c3ccc(NCCCCOc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474608940 562905469 /nfs/dbraw/zinc/90/54/69/562905469.db2.gz MZWKPHIXSKOBGW-UUWRZZSWSA-N 0 1 593.768 6.433 1 0 KKAFMN COc1ccc(C[C@@H]2c3ccc(NCCCCOc4ccccc4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474608940 562905470 /nfs/dbraw/zinc/90/54/70/562905470.db2.gz MZWKPHIXSKOBGW-UUWRZZSWSA-N 0 1 593.768 6.433 1 0 KKAFMN COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccccc3)C(=O)c3cc(Cl)c(O)cc3O)cc2)cc1 ZINC000653668865 562906082 /nfs/dbraw/zinc/90/60/82/562906082.db2.gz FVYKILSKCHTGLH-UHFFFAOYSA-N 0 1 531.008 5.879 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@H](C)OC)n5)cc4)ccc3c2[nH]1)C(C)C ZINC000653687420 562906530 /nfs/dbraw/zinc/90/65/30/562906530.db2.gz DNMDVZIRKUPGRK-QKCNBXJXSA-N 0 1 823.040 6.708 1 0 KKAFMN CCCCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)c(OCCCCC)c2=O ZINC000653691274 562906782 /nfs/dbraw/zinc/90/67/82/562906782.db2.gz WCJSOTNEVAXCRM-DITALETJSA-N 0 1 620.695 6.891 1 0 KKAFMN CCCCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)c(OCCCCC)c2=O ZINC000653691273 562906809 /nfs/dbraw/zinc/90/68/09/562906809.db2.gz WCJSOTNEVAXCRM-BZKUTMRRSA-N 0 1 620.695 6.891 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)[C@H](C)OC)nc5ccc4c3)cc2)c[nH]1)C(C)C ZINC000653696812 562907017 /nfs/dbraw/zinc/90/70/17/562907017.db2.gz BQDOEFLJKDMBNQ-QKCNBXJXSA-N 0 1 823.040 6.708 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)nc5ccc4c3)cc2)c[nH]1)C(C)C ZINC000653696813 562907034 /nfs/dbraw/zinc/90/70/34/562907034.db2.gz BQDOEFLJKDMBNQ-WPORPCJVSA-N 0 1 823.040 6.708 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)nc5ccc4c3)cc2)c[nH]1)C(C)C ZINC000653696861 562907069 /nfs/dbraw/zinc/90/70/69/562907069.db2.gz MTMFJHGINRHSAI-KCCGAQHSSA-N 0 1 809.013 6.054 1 0 KKAFMN COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000653701031 562907412 /nfs/dbraw/zinc/90/74/12/562907412.db2.gz GQPSVVAMVNMEAC-DHIFEGFHSA-N 0 1 570.550 5.038 1 0 KKAFMN CCCCCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)c(O)c2=O ZINC000653706048 562907778 /nfs/dbraw/zinc/90/77/78/562907778.db2.gz WXSGYQCPUMNSNE-PDDLMNHVSA-N 0 1 564.587 5.418 1 0 KKAFMN COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(Oc1ccccc1)Oc1cc(=O)c2c(O)cc(-c3ccc(O)cc3)oc-2c1 ZINC000653714717 562908452 /nfs/dbraw/zinc/90/84/52/562908452.db2.gz FYQBBUXBNJHKDJ-BLKZVQTQSA-N 0 1 587.521 5.811 1 0 KKAFMN COc1cnc(Cl)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653755706 562910952 /nfs/dbraw/zinc/91/09/52/562910952.db2.gz XEMADWNBIKYOSL-UHFFFAOYSA-N 0 1 502.379 5.779 1 0 KKAFMN COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2CCc2ccccc2-3)cc1-c1ccc(Cl)cc1 ZINC000653771381 562911807 /nfs/dbraw/zinc/91/18/07/562911807.db2.gz ILXVEBRYSUWBAI-UHFFFAOYSA-N 0 1 526.084 5.935 1 0 KKAFMN O=C(NCc1ccccc1)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653823244 562914282 /nfs/dbraw/zinc/91/42/82/562914282.db2.gz NTHYMIJYQMWSMG-UHFFFAOYSA-N 0 1 507.779 5.157 1 0 KKAFMN CC[NH+]1CCN(c2ccc3nc(-c4n[nH]c5ccc(O[C@@H](C)c6c(Cl)cncc6Cl)cc54)[nH]c3c2)CC1 ZINC000653825433 562914395 /nfs/dbraw/zinc/91/43/95/562914395.db2.gz WTYAEMYGNSRASK-INIZCTEOSA-N 0 1 536.467 6.090 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6CC[C@H]7C(=O)N[C@@H](C(C)C)C(=O)N67)n5)cc4)ccc3c2[nH]1)C(C)C ZINC000653912198 562917700 /nfs/dbraw/zinc/91/77/00/562917700.db2.gz NLVCCEMTGWHLOA-LJADHVKFSA-N 0 1 730.870 6.004 1 0 KKAFMN COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1F ZINC000653915957 562917841 /nfs/dbraw/zinc/91/78/41/562917841.db2.gz ICUHVVVPTPNHMX-UHFFFAOYSA-N 0 1 646.123 5.678 1 0 KKAFMN COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1 ZINC000085648337 565169516 /nfs/dbraw/zinc/16/95/16/565169516.db2.gz QRDWMPVLZIOGCZ-QRMOXYPWSA-N 0 1 623.790 7.770 1 0 biogenic,in-vitro KKAFMN CCCCc1oc2ccccc2c1S(=O)(=O)c1ccc(OCCCN(C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000003922463 561685864 /nfs/dbraw/zinc/68/58/64/561685864.db2.gz RINLDGHJOYWYQL-UHFFFAOYSA-N 0 1 565.732 6.569 1 0 KKAFMN COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2 ZINC000013455674 561713622 /nfs/dbraw/zinc/71/36/22/561713622.db2.gz LOXUUVJTKHHJKI-JOCHJYFZSA-N 0 1 500.658 7.186 1 0 KKAFMN CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1 ZINC000013451506 561713377 /nfs/dbraw/zinc/71/33/77/561713377.db2.gz FEGCNBPKWNAYBR-UHFFFAOYSA-N 0 1 516.707 6.544 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CC2 ZINC000013489486 561715923 /nfs/dbraw/zinc/71/59/23/561715923.db2.gz WJLNAPDUWBBQHL-MUUNZHRXSA-N 0 1 501.417 5.516 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)[C@H](c1cccc(Cl)c1)OCC(=O)N2C ZINC000013489500 561715925 /nfs/dbraw/zinc/71/59/25/561715925.db2.gz WAHSFNMXOHAFIQ-RRPNLBNLSA-N 0 1 507.421 5.060 1 0 KKAFMN CC(C)c1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761649 561727889 /nfs/dbraw/zinc/72/78/89/561727889.db2.gz TUHVTOYYHANQMW-HHHXNRCGSA-N 0 1 521.679 6.471 1 0 KKAFMN CCc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761646 561727895 /nfs/dbraw/zinc/72/78/95/561727895.db2.gz NOYADQYONLFGMN-SANMLTNESA-N 0 1 507.652 5.910 1 0 KKAFMN COc1ccc(C(SCC[N@H+]2CCC[C@H](C(=O)[O-])C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000013737914 561725725 /nfs/dbraw/zinc/72/57/25/561725725.db2.gz PUVZOYCETPRHJK-QFIPXVFZSA-N 0 1 521.679 5.534 1 0 KKAFMN CCCCc1ncc(C=C2C(=O)NC(=O)N2CCCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013743376 561726458 /nfs/dbraw/zinc/72/64/58/561726458.db2.gz XEKDNMWGRDRXRS-KOEQRZSOSA-N 0 1 524.629 5.654 1 0 KKAFMN CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000013781334 561729295 /nfs/dbraw/zinc/72/92/95/561729295.db2.gz ZRALBZBQZUJSPR-UHFFFAOYSA-N 0 1 514.622 6.249 1 0 KKAFMN COc1ccc([C@H](CCN2CCN(c3ccccc3OC)CC2)Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000013861747 561734770 /nfs/dbraw/zinc/73/47/70/561734770.db2.gz YMXILHSRXXPJAE-SANMLTNESA-N 0 1 500.561 6.055 1 0 KKAFMN COc1cc(-c2csc3c2c(N)ncc3/C=C/CN2CCC(O)CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000014208913 561737725 /nfs/dbraw/zinc/73/77/25/561737725.db2.gz KVZQUFXKOOQCNY-FNORWQNLSA-N 0 1 567.715 5.768 1 0 KKAFMN CC[C@H](C)c1nc(-c2ccc(CN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)c(-c2ccccc2)[nH]c1=O ZINC000014957925 561748088 /nfs/dbraw/zinc/74/80/88/561748088.db2.gz ILSSGVAAXSWLME-QFIPXVFZSA-N 0 1 533.676 6.098 1 0 KKAFMN COC(=O)Nc1nc2ccc(Oc3ccc(NC(=S)Nc4cccc(C(F)(F)F)c4)cc3)cc2[nH]1 ZINC000014965515 561749601 /nfs/dbraw/zinc/74/96/01/561749601.db2.gz UXYOQWHGYMKOQZ-UHFFFAOYSA-N 0 1 501.490 6.361 1 0 KKAFMN O=C(Nc1ccc(Oc2ccc3[nH]c(NC(=O)c4ccco4)nc3c2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000014965596 561749779 /nfs/dbraw/zinc/74/97/79/561749779.db2.gz ODKIFGJQIHHLAP-UHFFFAOYSA-N 0 1 539.445 6.424 1 0 KKAFMN O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000019365462 561758343 /nfs/dbraw/zinc/75/83/43/561758343.db2.gz WPTBYSWSMZEWGH-HHHXNRCGSA-N 0 1 545.468 5.575 1 0 KKAFMN CN1CCN(Cc2ccc3c(c2)sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c3Cl)CC1 ZINC000023359282 561762213 /nfs/dbraw/zinc/76/22/13/561762213.db2.gz PHYGKMMNCNPGMU-UHFFFAOYSA-N 0 1 587.960 7.114 1 0 KKAFMN Cc1ncc(CN2c3ccccc3CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]2CCc2ccccc2)[nH]1 ZINC000025981547 561763984 /nfs/dbraw/zinc/76/39/84/561763984.db2.gz QIBQNJKMUJGWIQ-SANMLTNESA-N 0 1 504.631 5.070 1 0 KKAFMN CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000026272849 561777436 /nfs/dbraw/zinc/77/74/36/561777436.db2.gz FGWGTCUSAKNWBN-UHFFFAOYSA-N 0 1 637.756 6.329 1 0 KKAFMN COc1ccc(-c2nc3n(c2CN(C)CCc2ccncc2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026277548 561778584 /nfs/dbraw/zinc/77/85/84/561778584.db2.gz AQZSZTYPDANNPB-UHFFFAOYSA-N 0 1 631.708 6.133 1 0 KKAFMN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C1CCCCC1 ZINC000026382879 561783721 /nfs/dbraw/zinc/78/37/21/561783721.db2.gz NNBHDRJEVSYTPI-ROCBYOHGSA-N 0 1 611.835 6.436 1 0 KKAFMN O=c1cc(C2N=NN=N2)oc2cc(OCCCN3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc12 ZINC000026498457 561794818 /nfs/dbraw/zinc/79/48/18/561794818.db2.gz IYLCVMQPTBXUOZ-UHFFFAOYSA-N 0 1 519.605 6.991 1 0 KKAFMN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026390589 561785708 /nfs/dbraw/zinc/78/57/08/561785708.db2.gz DZSDSDLGIAASDJ-CHJDUVSTSA-N 0 1 588.601 5.383 1 0 KKAFMN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026390585 561785713 /nfs/dbraw/zinc/78/57/13/561785713.db2.gz DZSDSDLGIAASDJ-SMSORMJASA-N 0 1 588.601 5.383 1 0 KKAFMN COc1ccc([C@](OCC[N@H+]2CCC[C@@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000026400798 561788331 /nfs/dbraw/zinc/78/83/31/561788331.db2.gz JLPFRSGXRAQFON-NGOKVRLYSA-N 0 1 581.553 6.838 1 0 KKAFMN Cc1ncnc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](CCC(F)(F)F)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026466838 561789831 /nfs/dbraw/zinc/78/98/31/561789831.db2.gz YBVNHKQEBNISKG-CYFREDJKSA-N 0 1 585.637 6.197 1 0 KKAFMN CC(C)CCN(c1ccc(NCc2c[nH]cn2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026494896 561794083 /nfs/dbraw/zinc/79/40/83/561794083.db2.gz OWBWARGFQVDZMH-HKBQPEDESA-N 0 1 579.834 5.866 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026495572 561794338 /nfs/dbraw/zinc/79/43/38/561794338.db2.gz AKMPPEHIIYDFBC-FPHJQGEJSA-N 0 1 591.626 5.943 1 0 KKAFMN CCOCC=Cc1ccc(-c2nc(-c3ccc(N(CC)CC)cc3)c(-c3ccc(N(CC)CC)cc3)[nH]2)cc1 ZINC000026577830 561802277 /nfs/dbraw/zinc/80/22/77/561802277.db2.gz SKVAZSIUTYWGFA-VAWYXSNFSA-N 0 1 522.737 8.153 1 0 KKAFMN COc1ccc(S(=O)(=O)N(C)C[C@@H](CCN2CCC3(C[S@@](=O)c4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026577812 561802358 /nfs/dbraw/zinc/80/23/58/561802358.db2.gz CBYZGFYDJQMMJL-CPVMILDDSA-N 0 1 621.652 5.951 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000026578606 561803573 /nfs/dbraw/zinc/80/35/73/561803573.db2.gz QTIDZFUSYXAXHM-PQZOHRHNSA-N 0 1 597.655 6.004 1 0 KKAFMN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)c3ccccc32)ccc1O ZINC000026829367 561822603 /nfs/dbraw/zinc/82/26/03/561822603.db2.gz WXVKLLMRCJZGIX-BVAGGSTKSA-N 0 1 542.604 5.125 1 0 KKAFMN C/C=C\C(C)(C)C[C@H]1[C@H](C(=O)[O-])[C@@H](c2cc3c(c(OC)c2)OCO3)C[N@@H+]1CC(=O)N(CCCC)CCCC ZINC000026971123 561830452 /nfs/dbraw/zinc/83/04/52/561830452.db2.gz GHDYDXZRKIXRDK-RDXXDGPGSA-N 0 1 530.706 5.314 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(C(F)(F)F)cc1 ZINC000026978441 561831045 /nfs/dbraw/zinc/83/10/45/561831045.db2.gz FLNCVWATJBZKRU-GOQOSDJISA-N 0 1 677.855 6.447 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(C(F)(F)F)cc1 ZINC000026978441 561831046 /nfs/dbraw/zinc/83/10/46/561831046.db2.gz FLNCVWATJBZKRU-GOQOSDJISA-N 0 1 677.855 6.447 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(OC)cc1 ZINC000026984343 561831641 /nfs/dbraw/zinc/83/16/41/561831641.db2.gz DEDIUQJQNGGRTH-XGJRVREISA-N 0 1 639.884 5.437 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(OC)cc1 ZINC000026984343 561831642 /nfs/dbraw/zinc/83/16/42/561831642.db2.gz DEDIUQJQNGGRTH-XGJRVREISA-N 0 1 639.884 5.437 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CCCSc1ccccn1 ZINC000027102497 561839072 /nfs/dbraw/zinc/83/90/72/561839072.db2.gz SQVHGRVONUSHGR-RTNMLALUSA-N 0 1 692.927 5.357 1 0 KKAFMN CCc1ccccc1[C@H](NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OCCOC(C)C)cc1)c1ccccc1C ZINC000027204120 561845606 /nfs/dbraw/zinc/84/56/06/561845606.db2.gz ITIIXFMHUJLFHC-BFVGSACRSA-N 0 1 678.826 6.837 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000027311626 561850838 /nfs/dbraw/zinc/85/08/38/561850838.db2.gz PPJNKTSDNBTUGH-XCRWMPKNSA-N 0 1 548.602 5.704 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CC)c(F)c1 ZINC000027320588 561852582 /nfs/dbraw/zinc/85/25/82/561852582.db2.gz NRDKXLWFPVYSKL-DQWNXYKBSA-N 0 1 540.676 5.429 1 0 KKAFMN CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)C)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027328530 561854249 /nfs/dbraw/zinc/85/42/49/561854249.db2.gz LIPVNCFJDODAOI-UHFFFAOYSA-N 0 1 574.697 6.101 1 0 KKAFMN CCCN(c1ncccn1)C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000027431073 561859349 /nfs/dbraw/zinc/85/93/49/561859349.db2.gz FEKRAPQYYVJDCN-RFYMFKDESA-N 0 1 537.724 5.046 1 0 KKAFMN CCCN(c1ncccn1)C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000027431073 561859351 /nfs/dbraw/zinc/85/93/51/561859351.db2.gz FEKRAPQYYVJDCN-RFYMFKDESA-N 0 1 537.724 5.046 1 0 KKAFMN CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)CCc2ccccn2)c(=O)c(C(=O)NCCOC)cn3Cc2ccccc2F)cc1 ZINC000027332181 561855239 /nfs/dbraw/zinc/85/52/39/561855239.db2.gz ICWGWZNJTJKESB-UHFFFAOYSA-N 0 1 652.771 5.140 1 0 KKAFMN O=C(Nc1ccc(F)cc1)N1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000027441863 561860803 /nfs/dbraw/zinc/86/08/03/561860803.db2.gz WSXDSEMULMKBGL-NRFANRHFSA-N 0 1 604.318 5.669 1 0 KKAFMN O[C@@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)CC1 ZINC000027521335 561864032 /nfs/dbraw/zinc/86/40/32/561864032.db2.gz YLHRMANAEDHAQX-OAQYLSRUSA-N 0 1 596.601 5.251 1 0 KKAFMN Oc1c(Br)c(Br)c(Br)cc1Nc1cc(Br)c(Br)c(Br)c1O ZINC000027562716 561871016 /nfs/dbraw/zinc/87/10/16/561871016.db2.gz VJQKZSPSPGXFNO-UHFFFAOYSA-N 0 1 674.601 7.416 1 0 KKAFMN CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2COCc2ccccc2)cc1 ZINC000027626696 561873220 /nfs/dbraw/zinc/87/32/20/561873220.db2.gz VWSDZLWAIZCEJG-OQBISYOISA-N 0 1 534.744 7.182 1 0 KKAFMN COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(c2ccccc2)CC1)C(C)=O ZINC000027868502 561887969 /nfs/dbraw/zinc/88/79/69/561887969.db2.gz AXHGMEAMIKHBDC-PMERELPUSA-N 0 1 552.719 5.132 1 0 KKAFMN CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017196 561897611 /nfs/dbraw/zinc/89/76/11/561897611.db2.gz GXTJLZJFVRBENE-NNYJQHGCSA-N 0 1 614.728 6.656 1 0 KKAFMN CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017196 561897614 /nfs/dbraw/zinc/89/76/14/561897614.db2.gz GXTJLZJFVRBENE-NNYJQHGCSA-N 0 1 614.728 6.656 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007098 561895762 /nfs/dbraw/zinc/89/57/62/561895762.db2.gz KXMSNVZBMZCZNF-RFUUAGDRSA-N 0 1 652.855 7.820 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007098 561895763 /nfs/dbraw/zinc/89/57/63/561895763.db2.gz KXMSNVZBMZCZNF-RFUUAGDRSA-N 0 1 652.855 7.820 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3n[nH]cc3C(F)(F)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028007040 561895817 /nfs/dbraw/zinc/89/58/17/561895817.db2.gz VAQXLOKMXJKNKW-RTKAOUNRSA-N 0 1 576.732 6.478 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3n[nH]cc3C(F)(F)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028007040 561895819 /nfs/dbraw/zinc/89/58/19/561895819.db2.gz VAQXLOKMXJKNKW-RTKAOUNRSA-N 0 1 576.732 6.478 1 0 KKAFMN CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013116 561896646 /nfs/dbraw/zinc/89/66/46/561896646.db2.gz UQTDOHYMRIKRFP-KUYURNMDSA-N 0 1 566.806 6.559 1 0 KKAFMN CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013116 561896648 /nfs/dbraw/zinc/89/66/48/561896648.db2.gz UQTDOHYMRIKRFP-KUYURNMDSA-N 0 1 566.806 6.559 1 0 KKAFMN CCn1nc(Cc2cccc(OC)c2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014280 561896987 /nfs/dbraw/zinc/89/69/87/561896987.db2.gz QPGWRXNHJFZWSD-QOCRQHEPSA-N 0 1 590.784 6.036 1 0 KKAFMN CCn1nc(Cc2cccc(OC)c2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014280 561896988 /nfs/dbraw/zinc/89/69/88/561896988.db2.gz QPGWRXNHJFZWSD-QOCRQHEPSA-N 0 1 590.784 6.036 1 0 KKAFMN CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022938 561898873 /nfs/dbraw/zinc/89/88/73/561898873.db2.gz ARFHIUFTOLCGFS-XXSKFNENSA-N 0 1 686.894 6.470 1 0 KKAFMN CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022938 561898875 /nfs/dbraw/zinc/89/88/75/561898875.db2.gz ARFHIUFTOLCGFS-XXSKFNENSA-N 0 1 686.894 6.470 1 0 KKAFMN CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086186 561899103 /nfs/dbraw/zinc/89/91/03/561899103.db2.gz AWVSZEIDIPLFFV-LEFKNYOOSA-N 0 1 644.754 6.926 1 0 KKAFMN CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086186 561899105 /nfs/dbraw/zinc/89/91/05/561899105.db2.gz AWVSZEIDIPLFFV-LEFKNYOOSA-N 0 1 644.754 6.926 1 0 KKAFMN CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095088 561900684 /nfs/dbraw/zinc/90/06/84/561900684.db2.gz XLIWORCNUUZJJY-LOZBNSEJSA-N 0 1 618.838 6.816 1 0 KKAFMN CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095088 561900686 /nfs/dbraw/zinc/90/06/86/561900686.db2.gz XLIWORCNUUZJJY-LOZBNSEJSA-N 0 1 618.838 6.816 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](CC(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000028110610 561902975 /nfs/dbraw/zinc/90/29/75/561902975.db2.gz BXLNWOMSBXJQRE-KQZWIPHESA-N 0 1 524.658 5.084 1 0 KKAFMN O=C(c1ccccc1)c1ccc2c(c1[O-])N[C@H](c1ccccc1)[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)O2 ZINC000028113334 561903414 /nfs/dbraw/zinc/90/34/14/561903414.db2.gz IMGVLHPPOZVQNA-CYEXUTLASA-N 0 1 526.636 6.917 1 0 KKAFMN CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(CN(C)C)c(OC(C)C)c2)cc1 ZINC000028474675 561927682 /nfs/dbraw/zinc/92/76/82/561927682.db2.gz DVNXBIAPJGIQDY-HKBQPEDESA-N 0 1 541.736 6.474 1 0 KKAFMN COc1cccc([C@@H](c2ccc3c(c2)CN(C(=O)c2ccc(C(=O)[O-])cc2)C3)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028570015 561938457 /nfs/dbraw/zinc/93/84/57/561938457.db2.gz DHZNWMDZVMDMAC-AWYDNWMNSA-N 0 1 589.736 6.234 1 0 KKAFMN COc1cccc([C@@H](c2ccc3c(c2)CN(C(=O)c2ccc(C(=O)[O-])cc2)C3)[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028570015 561938459 /nfs/dbraw/zinc/93/84/59/561938459.db2.gz DHZNWMDZVMDMAC-AWYDNWMNSA-N 0 1 589.736 6.234 1 0 KKAFMN COc1cccc([C@@H](c2ccc3c(c2)CN(C(=O)c2ccc(C(=O)[O-])cc2)C3)[N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028570015 561938461 /nfs/dbraw/zinc/93/84/61/561938461.db2.gz DHZNWMDZVMDMAC-AWYDNWMNSA-N 0 1 589.736 6.234 1 0 KKAFMN CC(C)C(=O)Nc1c(F)cc(F)c(C2CCN(CCCNC(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1F ZINC000028710179 561951090 /nfs/dbraw/zinc/95/10/90/561951090.db2.gz KUQDULHGSFIYPI-UHFFFAOYSA-N 0 1 587.633 6.494 1 0 KKAFMN CC(=O)Nc1nc([C@H](CCN2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702747 561947197 /nfs/dbraw/zinc/94/71/97/561947197.db2.gz JRZDQMSADLMGPH-QHCPKHFHSA-N 0 1 627.655 6.060 1 0 KKAFMN O=C(CCCN1c2ccccc2[C@@H]2C[C@@H]3CN(CCCC(=O)c4ccc(F)cc4)CCN3C[C@H]21)c1ccc(F)cc1 ZINC000028872180 561974332 /nfs/dbraw/zinc/97/43/32/561974332.db2.gz TXPXVUNBDQGBPQ-DQQHMPIDSA-N 0 1 557.685 5.953 1 0 KKAFMN Cc1ccc(CN2CCC(NC(=O)N(CC(=O)C(C)(C)O)Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000028874201 561975116 /nfs/dbraw/zinc/97/51/16/561975116.db2.gz KJZSUZGVKFXXDK-UHFFFAOYSA-N 0 1 513.682 5.178 1 0 KKAFMN CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CCN(C5CC5)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889673 561978008 /nfs/dbraw/zinc/97/80/08/561978008.db2.gz KBPLHOJDAIGXOI-ZTOMLWHTSA-N 0 1 575.128 6.450 1 0 KKAFMN CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CCN(C)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889648 561978069 /nfs/dbraw/zinc/97/80/69/561978069.db2.gz MZINAXOPBUWVQD-IDISGSTGSA-N 0 1 549.090 5.918 1 0 KKAFMN CC(C)N(Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)C[C@H](O)c1ccccc1 ZINC000028901355 561979866 /nfs/dbraw/zinc/97/98/66/561979866.db2.gz VZWZQSHHQNIRAG-VWLOTQADSA-N 0 1 524.086 5.127 1 0 KKAFMN 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CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(F)cccc4Cl)[nH]c3-c3ccccc3)cc21 ZINC000029131289 562003016 /nfs/dbraw/zinc/00/30/16/562003016.db2.gz ASDLMCQUSBWWHC-UHFFFAOYSA-N 0 1 509.994 5.721 1 0 KKAFMN COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4oc3C(C)C)cc2)cc(OC)c1OC ZINC000029222020 562007328 /nfs/dbraw/zinc/00/73/28/562007328.db2.gz PAWNYERCACRCDG-UHFFFAOYSA-N 0 1 581.731 6.358 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 ZINC000029334329 562014099 /nfs/dbraw/zinc/01/40/99/562014099.db2.gz ZBESXVGRVPUTPH-NDEPHWFRSA-N 0 1 558.635 5.209 1 0 KKAFMN CN(C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1)[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C ZINC000029347138 562016451 /nfs/dbraw/zinc/01/64/51/562016451.db2.gz AQSULLWEJRPAKF-HPBKRHAESA-N 0 1 697.965 6.187 1 0 KKAFMN O=C([O-])CCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029402409 562019858 /nfs/dbraw/zinc/01/98/58/562019858.db2.gz XGGDQEWNTPWFSR-UHFFFAOYSA-N 0 1 566.489 5.500 1 0 KKAFMN O=C([C@H](COCc1ccc(Cl)c(Cl)c1)NCc1ccccc1)N1CCC2(CCc3ccccc32)CC1 ZINC000029489328 562029055 /nfs/dbraw/zinc/02/90/55/562029055.db2.gz NWOPKTPNIIHJFE-NDEPHWFRSA-N 0 1 523.504 6.175 1 0 KKAFMN COc1ccc(C(=O)N(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)C(=O)c2ccc(OC)cc2)cc1 ZINC000029560836 562033056 /nfs/dbraw/zinc/03/30/56/562033056.db2.gz BPFQOJVEVKXGPR-UHFFFAOYSA-N 0 1 635.740 6.100 1 0 KKAFMN Cc1c2c(c(C)c(O)c1C)[C@H](C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029560322 562032916 /nfs/dbraw/zinc/03/29/16/562032916.db2.gz FKTJGLWQLNELFW-RFBVRTEBSA-N 0 1 522.667 5.439 1 0 KKAFMN Cc1c2c(c(C)c(O)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029560322 562032918 /nfs/dbraw/zinc/03/29/18/562032918.db2.gz FKTJGLWQLNELFW-RFBVRTEBSA-N 0 1 522.667 5.439 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 ZINC000029570038 562035397 /nfs/dbraw/zinc/03/53/97/562035397.db2.gz NBFWPPOLIJRMER-LJAQVGFWSA-N 0 1 612.802 6.753 1 0 KKAFMN COc1ccc(OC[C@H]2Cc3c(c4c(nc3-c3ccccc3)CCN(CCOc3ccccc3)C4)CO2)cc1 ZINC000034148381 562038312 /nfs/dbraw/zinc/03/83/12/562038312.db2.gz RFICEULJUUXYDG-MUUNZHRXSA-N 0 1 522.645 5.715 1 0 KKAFMN O=c1cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n1Cc1ccccc1 ZINC000036126671 562047616 /nfs/dbraw/zinc/04/76/16/562047616.db2.gz JFKJLEGVSYQSFA-UHFFFAOYSA-N 0 1 502.014 5.508 1 0 KKAFMN C[N@@H+](CC[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1)Cc1n[nH]c(=O)[n-]1 ZINC000036324321 562055423 /nfs/dbraw/zinc/05/54/23/562055423.db2.gz WKVJTXKYRCNGPX-HARLFGEKSA-N 0 1 542.524 6.149 1 0 KKAFMN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(C)C)c2)CC1 ZINC000038157771 562069444 /nfs/dbraw/zinc/06/94/44/562069444.db2.gz BDQQVPFAZDRHQD-UUWRZZSWSA-N 0 1 638.896 5.695 1 0 KKAFMN CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)n[nH]c2-c2ccc(OC)cc2)cc1 ZINC000038336646 562070985 /nfs/dbraw/zinc/07/09/85/562070985.db2.gz OFFXBEADPZCVCG-UHFFFAOYSA-N 0 1 503.668 6.006 1 0 KKAFMN Cc1c2c(c(C)c(O)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000039167535 562072801 /nfs/dbraw/zinc/07/28/01/562072801.db2.gz MDPULBLYZQWTKD-ACIOBRDBSA-N 0 1 524.683 5.010 1 0 KKAFMN CC(C)NCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040379618 562073248 /nfs/dbraw/zinc/07/32/48/562073248.db2.gz SLRZZCQCPZDTTA-UHFFFAOYSA-N 0 1 505.466 6.971 1 0 KKAFMN COC(=O)C1CCN(CCOc2ccc([C@]3(C)c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)CC1 ZINC000040408197 562075045 /nfs/dbraw/zinc/07/50/45/562075045.db2.gz IZWWWUWUHNOEGL-WJOKGBTCSA-N 0 1 518.629 5.121 1 0 KKAFMN CCCC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040422529 562076038 /nfs/dbraw/zinc/07/60/38/562076038.db2.gz PKJFMEUKMLOSSK-HKBQPEDESA-N 0 1 535.679 6.065 1 0 KKAFMN FC(F)(F)c1ccc2c(c1)nccc2N[C@H](c1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000040425086 562076566 /nfs/dbraw/zinc/07/65/66/562076566.db2.gz JZJOVKWLPXFEDD-HHHXNRCGSA-N 0 1 511.975 6.941 1 0 KKAFMN CCc1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(SCc2ccc(OC)cc2)[nH]c1=O ZINC000040898785 562083332 /nfs/dbraw/zinc/08/33/32/562083332.db2.gz AYXBUUGUCCNCQI-UHFFFAOYSA-N 0 1 502.480 6.262 1 0 KKAFMN COC(=O)C1CCN(CCOc2ccc([C@@]3(C)c4ccc(O)cc4CCN3c3ccc(Cl)cc3)cc2)CC1 ZINC000040916327 562083981 /nfs/dbraw/zinc/08/39/81/562083981.db2.gz XIXCVRPUCLFZKK-HKBQPEDESA-N 0 1 535.084 5.636 1 0 KKAFMN COc1cccc(-n2cc(C(=O)N3CCN(c4ccc5cnccc5c4)CC3)nc2-c2ccc(C)cc2)c1 ZINC000040917932 562084178 /nfs/dbraw/zinc/08/41/78/562084178.db2.gz FSYHXNXAVQZWOZ-UHFFFAOYSA-N 0 1 503.606 5.367 1 0 KKAFMN CCCCc1nc(C)c(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)s1 ZINC000040957459 562086781 /nfs/dbraw/zinc/08/67/81/562086781.db2.gz IRRYYNVBCQAKPR-UHFFFAOYSA-N 0 1 501.744 6.957 1 0 KKAFMN CC(=O)N1CCC[C@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000043059965 562645165 /nfs/dbraw/zinc/64/51/65/562645165.db2.gz GHBDLNUMMWOHOL-VWLOTQADSA-N 0 1 504.612 5.283 1 0 KKAFMN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1/C=C/n1cnc2c1ncnc2Nc1ccncc1 ZINC000043062840 562645258 /nfs/dbraw/zinc/64/52/58/562645258.db2.gz ARDFJNKJVAVUOF-FMIVXFBMSA-N 0 1 515.499 6.172 1 0 KKAFMN CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000043170091 562646504 /nfs/dbraw/zinc/64/65/04/562646504.db2.gz ZVFXNLFEOUJYLZ-BHVANESWSA-N 0 1 633.728 5.262 1 0 KKAFMN COc1ccc(N(C(=O)CN2c3ccccc3C(c3ccccc3)=N[C@@H](Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 ZINC000043322955 562647754 /nfs/dbraw/zinc/64/77/54/562647754.db2.gz BZTYAYRSNPSALX-HKBQPEDESA-N 0 1 571.681 5.808 1 0 KKAFMN COc1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000045287099 562660187 /nfs/dbraw/zinc/66/01/87/562660187.db2.gz SLCBBINUUITQFO-AREMUKBSSA-N 0 1 503.605 5.342 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc(-c2ccccc2)n1Cc1ccccc1 ZINC000049033913 562663478 /nfs/dbraw/zinc/66/34/78/562663478.db2.gz MAOOLDXOCHBHKI-UHFFFAOYSA-N 0 1 527.112 6.107 1 0 KKAFMN Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC[C@@H]4Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049051644 562663754 /nfs/dbraw/zinc/66/37/54/562663754.db2.gz SOBWJJMARWEHLE-OAQYLSRUSA-N 0 1 500.996 6.930 1 0 KKAFMN c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4s3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067627 562663958 /nfs/dbraw/zinc/66/39/58/562663958.db2.gz VJBLQVGHCPRWTP-MUUNZHRXSA-N 0 1 505.691 6.456 1 0 KKAFMN CCOc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000049605303 562665688 /nfs/dbraw/zinc/66/56/88/562665688.db2.gz LMTNQCKBZCTTJG-UHFFFAOYSA-N 0 1 570.496 6.017 1 0 KKAFMN CC(=O)Nc1ncc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)s1 ZINC000049605428 562665831 /nfs/dbraw/zinc/66/58/31/562665831.db2.gz JCVOMTPCFKDTGB-UHFFFAOYSA-N 0 1 521.524 6.583 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCN(C(=O)Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000049625796 562666859 /nfs/dbraw/zinc/66/68/59/562666859.db2.gz XUTNSSYTUKBUHU-SOFGYWHQSA-N 0 1 573.352 6.235 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049626799 562667334 /nfs/dbraw/zinc/66/73/34/562667334.db2.gz XBSNFOBEGLEWIP-UXBLZVDNSA-N 0 1 555.909 6.325 1 0 KKAFMN CCOc1c2ccccc2ccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049639219 562667707 /nfs/dbraw/zinc/66/77/07/562667707.db2.gz WEZOUPPOCJFJLB-UHFFFAOYSA-N 0 1 585.148 6.476 1 0 KKAFMN O=C(Nc1ccc(N2CCN(Cc3c[nH]c4cc(F)ccc34)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000049710408 562671687 /nfs/dbraw/zinc/67/16/87/562671687.db2.gz NFPKEVTZBUMEDP-UHFFFAOYSA-N 0 1 572.606 7.567 1 0 KKAFMN COc1cc(C(=O)N2CCO[C@@](CCN3CCC[C@H]3C(=O)Nc3ccccc3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049710529 562671735 /nfs/dbraw/zinc/67/17/35/562671735.db2.gz NNCRUKJWFHRUPQ-VCTRWQRLSA-N 0 1 642.580 5.880 1 0 KKAFMN FC(F)(F)c1cccc2c1ncc(C1N=NC(=S)N1c1ccccc1)c2N1CCC(N2CCOCC2)CC1 ZINC000049722882 562672630 /nfs/dbraw/zinc/67/26/30/562672630.db2.gz BXKFJUGLVGQHBJ-UHFFFAOYSA-N 0 1 540.615 5.091 1 0 KKAFMN CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)cn1 ZINC000049723013 562672834 /nfs/dbraw/zinc/67/28/34/562672834.db2.gz WEPXQBUNNPLLHB-UHFFFAOYSA-N 0 1 521.524 6.583 1 0 KKAFMN FC(F)(F)c1ccc2nc(-c3ccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)cc3)[nH]c2c1 ZINC000049746426 562674439 /nfs/dbraw/zinc/67/44/39/562674439.db2.gz COATYEQUOQJHLY-UHFFFAOYSA-N 0 1 524.550 6.786 1 0 KKAFMN Cc1ccc(NC(=O)c2[nH]c(C(F)(F)F)nc2-c2cccc(C(F)(F)F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049757329 562675907 /nfs/dbraw/zinc/67/59/07/562675907.db2.gz BEBDPHBABYIMCG-UHFFFAOYSA-N 0 1 586.496 6.666 1 0 KKAFMN Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2cccc(C(F)(F)F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049757329 562675909 /nfs/dbraw/zinc/67/59/09/562675909.db2.gz BEBDPHBABYIMCG-UHFFFAOYSA-N 0 1 586.496 6.666 1 0 KKAFMN O=C([O-])C[C@@H]1CC[N@@H+]([C@H](Cc2ccccc2)c2ccc(C(F)(F)F)nc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000049762554 562676622 /nfs/dbraw/zinc/67/66/22/562676622.db2.gz RSOBSLOWALVYPE-VEXUSMLFSA-N 0 1 536.516 7.331 1 0 KKAFMN Cc1ccc(NC(=O)c2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049766749 562677186 /nfs/dbraw/zinc/67/71/86/562677186.db2.gz KIXUFBQGTOJIJC-UHFFFAOYSA-N 0 1 526.600 6.295 1 0 KKAFMN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5c[nH]cn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049774658 562678695 /nfs/dbraw/zinc/67/86/95/562678695.db2.gz JPQXHCVMHRKCDV-LJAQVGFWSA-N 0 1 612.844 5.301 1 0 KKAFMN O=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccsc1 ZINC000049777115 562679678 /nfs/dbraw/zinc/67/96/78/562679678.db2.gz YDGNXSOLWOOFRO-UHFFFAOYSA-N 0 1 517.529 6.713 1 0 KKAFMN CC(C)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c([C@H](O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049778147 562680984 /nfs/dbraw/zinc/68/09/84/562680984.db2.gz ZPOHWIIFZLLEPQ-MGBGTMOVSA-N 0 1 643.800 7.972 1 0 KKAFMN CN(Cc1c(-c2ccc(NC3=NCCN3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000049780167 562681397 /nfs/dbraw/zinc/68/13/97/562681397.db2.gz VLDSOJXTMRDIAY-UHFFFAOYSA-N 0 1 662.766 6.211 1 0 KKAFMN CCCC[C@@H](CC)C(O)=C(NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC ZINC000049780199 562681425 /nfs/dbraw/zinc/68/14/25/562681425.db2.gz CQEARRKWGBDBGO-RKVVATLDSA-N 0 1 660.877 7.048 1 0 KKAFMN COc1ccc(C=O)cc1Oc1ccc(C[C@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)cc1 ZINC000049833552 562687877 /nfs/dbraw/zinc/68/78/77/562687877.db2.gz CCLPJGYXMUPSKC-LJAQVGFWSA-N 0 1 652.744 6.518 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3csc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867664 562689625 /nfs/dbraw/zinc/68/96/25/562689625.db2.gz HSGMOZQNCPRWOD-AARCXHMLSA-N 0 1 557.804 6.662 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3csc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867664 562689626 /nfs/dbraw/zinc/68/96/26/562689626.db2.gz HSGMOZQNCPRWOD-AARCXHMLSA-N 0 1 557.804 6.662 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867721 562689641 /nfs/dbraw/zinc/68/96/41/562689641.db2.gz HMDJSTVCSNOIAW-AARCXHMLSA-N 0 1 557.804 6.662 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867721 562689642 /nfs/dbraw/zinc/68/96/42/562689642.db2.gz HMDJSTVCSNOIAW-AARCXHMLSA-N 0 1 557.804 6.662 1 0 KKAFMN CCC[C@@H]1CCCCN1C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1 ZINC000049872372 562689982 /nfs/dbraw/zinc/68/99/82/562689982.db2.gz XTXUJHNEHHATPI-OAQYLSRUSA-N 0 1 548.485 7.062 1 0 KKAFMN CCOP(=O)(CSc1nc(-c2ccnc(N[C@@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1)OCC ZINC000049878627 562690716 /nfs/dbraw/zinc/69/07/16/562690716.db2.gz AZXQUHLBEZBKJS-IBGZPJMESA-N 0 1 540.601 7.767 1 0 KKAFMN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)s2)CC1 ZINC000049917789 562693898 /nfs/dbraw/zinc/69/38/98/562693898.db2.gz GPCVXMJINGXIIG-UHFFFAOYSA-N 0 1 562.498 5.688 1 0 KKAFMN CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2cccc(F)c2F)cc(=O)c2cc(CN3CCCCC3)ccc21 ZINC000049917774 562693907 /nfs/dbraw/zinc/69/39/07/562693907.db2.gz NAKHXHTZFHFJKP-UHFFFAOYSA-N 0 1 719.820 9.292 1 0 KKAFMN CN(c1ccccc1C1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)CC1)S(C)(=O)=O ZINC000053113462 562696268 /nfs/dbraw/zinc/69/62/68/562696268.db2.gz ZGOIUIRYGONMSH-NDEPHWFRSA-N 0 1 604.600 5.470 1 0 KKAFMN C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CCN(C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000058598799 562700740 /nfs/dbraw/zinc/70/07/40/562700740.db2.gz OWRZQDDNDUUITK-LJQANCHMSA-N 0 1 606.674 6.159 1 0 KKAFMN COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064235537 562704547 /nfs/dbraw/zinc/70/45/47/562704547.db2.gz MAIPLBUKRSVRMT-PPYDQSFFSA-N 0 1 551.042 6.058 1 0 KKAFMN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1F ZINC000064453799 562705639 /nfs/dbraw/zinc/70/56/39/562705639.db2.gz ZCAZCAFBWFZPCU-SFTDATJTSA-N 0 1 516.584 5.033 1 0 KKAFMN O=C([O-])c1ccc(-c2ccc(OCCc3cc([C@@](O)(CC[NH+]4CCOCC4)c4ccc(Cl)cc4)ccc3Cl)cc2)cc1 ZINC000064513152 562706298 /nfs/dbraw/zinc/70/62/98/562706298.db2.gz CYNBHDONBLRMMT-UUWRZZSWSA-N 0 1 606.546 6.938 1 0 KKAFMN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)NCCN1CCN(C)CC1 ZINC000064539587 562707550 /nfs/dbraw/zinc/70/75/50/562707550.db2.gz PFXXQIZGUIMCLN-UHFFFAOYSA-N 0 1 567.738 5.253 1 0 KKAFMN COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@]12c1ccccc1NC2=O ZINC000064559173 562708356 /nfs/dbraw/zinc/70/83/56/562708356.db2.gz BGGPCEJFXRSBSI-PPYDQSFFSA-N 0 1 516.597 5.405 1 0 KKAFMN C[C@H]1CN(c2ncc(C(=O)Nc3ccc(F)c(F)c3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079085 562710575 /nfs/dbraw/zinc/71/05/75/562710575.db2.gz WCMRUXPJUJQVRU-IBGZPJMESA-N 0 1 574.503 6.094 1 0 KKAFMN CC(C)[N@@H+](CCN(C)C)[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099479 562711110 /nfs/dbraw/zinc/71/11/10/562711110.db2.gz HWQKFAGLCTWEQA-DEOSSOPVSA-N 0 1 503.687 6.087 1 0 KKAFMN CC(C)N(CC[NH+](C)C)[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099479 562711111 /nfs/dbraw/zinc/71/11/11/562711111.db2.gz HWQKFAGLCTWEQA-DEOSSOPVSA-N 0 1 503.687 6.087 1 0 KKAFMN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(CN4CCN(C)CC4)cc3C(F)(F)F)ncc2Cl)c1 ZINC000066100348 562711247 /nfs/dbraw/zinc/71/12/47/562711247.db2.gz VZMXRYLQGIGDFH-UHFFFAOYSA-N 0 1 546.981 5.557 1 0 KKAFMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccc(OCc2c(-c3ccccc3)no[n+]2[O-])cc1 ZINC000066100617 562711303 /nfs/dbraw/zinc/71/13/03/562711303.db2.gz AZMUSKQHDHCZOM-UHFFFAOYSA-N 0 1 592.560 5.155 1 0 KKAFMN C[C@H](CN[C@H](C(=O)Nc1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)N1CCOCC1 ZINC000066100828 562711347 /nfs/dbraw/zinc/71/13/47/562711347.db2.gz JSZDJCIBUSBZII-IAVCPEOTSA-N 0 1 629.805 6.455 1 0 KKAFMN COC1(c2cccc(CS(=O)(=O)Nc3cc(Cl)ccc3OCc3ccccc3)c2)CCOCC1 ZINC000066102933 562711524 /nfs/dbraw/zinc/71/15/24/562711524.db2.gz CJNKIYYDXORXNP-UHFFFAOYSA-N 0 1 502.032 5.513 1 0 KKAFMN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCCC2(O)CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103544 562711565 /nfs/dbraw/zinc/71/15/65/562711565.db2.gz XJJSTZDQCCHFFI-LQCSZWMHSA-N 0 1 582.623 5.141 1 0 KKAFMN CC(C)(C)OC(=O)N1CCN(CCCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000066259542 562715273 /nfs/dbraw/zinc/71/52/73/562715273.db2.gz FDDMWKKKEUOHTA-UHFFFAOYSA-N 0 1 540.749 5.879 1 0 KKAFMN Cn1c2cc(C(=O)N[C@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC[N@@H+](C)C3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071333314 562719461 /nfs/dbraw/zinc/71/94/61/562719461.db2.gz GWOLZGVCSHOLQV-IZLFTEHWSA-N 0 1 619.766 6.219 1 0 KKAFMN Cc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@@H]2c1ccccc1C ZINC000071334644 562719623 /nfs/dbraw/zinc/71/96/23/562719623.db2.gz ALYJDRFVACLTCQ-IDGUORLLSA-N 0 1 537.063 6.731 1 0 KKAFMN COc1cc(C=C2CN(Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000071341830 562720073 /nfs/dbraw/zinc/72/00/73/562720073.db2.gz JJZIVINBRAZEBB-FVXVQVJUSA-N 0 1 603.741 5.111 1 0 KKAFMN COc1ccc(C=C2CN(Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000071342008 562720119 /nfs/dbraw/zinc/72/01/19/562720119.db2.gz UDJFXWAYBUHRBB-NDHMKERHSA-N 0 1 543.689 5.093 1 0 KKAFMN CC[N@H+]1CC[C@@](NC(=O)c2ccc3c(c2)n(C)c(-c2ccccn2)c3C2CCCCC2)(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000071411074 562720174 /nfs/dbraw/zinc/72/01/74/562720174.db2.gz QIQTZKWHBRFSDT-PCHOQTRTSA-N 0 1 619.766 6.219 1 0 KKAFMN Cc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1Cl ZINC000072104824 562720677 /nfs/dbraw/zinc/72/06/77/562720677.db2.gz VZYZMJBBYQPKEN-UHFFFAOYSA-N 0 1 500.474 5.046 1 0 KKAFMN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(C(=O)c6ccc(C(F)(F)F)cc6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112101 562722013 /nfs/dbraw/zinc/72/20/13/562722013.db2.gz MHYNKSTXGUSVKX-FGPHBKPNSA-N 0 1 560.701 5.806 1 0 KKAFMN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN5CCN(C(=O)c6ccccc6C(F)(F)F)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112953 562722223 /nfs/dbraw/zinc/72/22/23/562722223.db2.gz HRDSRVILRMIPPT-LTQRKYDZSA-N 0 1 560.701 5.806 1 0 KKAFMN C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000072126792 562725412 /nfs/dbraw/zinc/72/54/12/562725412.db2.gz CWZXBJMDDIOGRX-MODXFSQWSA-N 0 1 651.776 7.939 1 0 KKAFMN O=S(=O)([N-]c1ccc(C[C@@H]2CC[C@@H]([C@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126803 562725449 /nfs/dbraw/zinc/72/54/49/562725449.db2.gz CVNUDPVQPWCUGZ-JGICCPCNSA-N 0 1 649.760 7.693 1 0 KKAFMN COc1cc2c(cc1OCCCN1CCN(CCCOc3ccc4c(c3)CC[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072131704 562726759 /nfs/dbraw/zinc/72/67/59/562726759.db2.gz RAZAZARQWPTNSC-HLIHLSHCSA-N 0 1 684.922 6.088 1 0 KKAFMN O=C([O-])c1ccc(-c2ccc(OCCc3cc([C@](O)(CC[NH+]4CCOCC4)c4ccc(Br)cc4)ccc3Cl)cc2)cc1 ZINC000072147670 562729799 /nfs/dbraw/zinc/72/97/99/562729799.db2.gz BLSOYCQPNQMTPH-UMSFTDKQSA-N 0 1 650.997 7.047 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cc(-c5ccc(Br)cc5)[nH]n4)c3)cc2C(F)(F)F)CC1 ZINC000072157049 562730178 /nfs/dbraw/zinc/73/01/78/562730178.db2.gz LWOQARAPSINWHX-UHFFFAOYSA-N 0 1 669.546 6.809 3 0 KKAFMN CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cccc(OC)c3)n[nH]c2-c2cccs2)cc1 ZINC000072173554 562731000 /nfs/dbraw/zinc/73/10/00/562731000.db2.gz FDOBTLVKJAHQEM-UHFFFAOYSA-N 0 1 509.697 6.068 1 0 KKAFMN C[N@@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc([N-]S(=O)(=O)c6ccccc6)c5)nc5ccccn54)n3)cc2C1 ZINC000072176292 562731590 /nfs/dbraw/zinc/73/15/90/562731590.db2.gz SAKZRMKAJKEMKV-UHFFFAOYSA-N 0 1 587.709 5.991 1 0 KKAFMN C[N@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc([N-]S(=O)(=O)c6ccccc6)c5)nc5ccccn54)n3)cc2C1 ZINC000072176292 562731591 /nfs/dbraw/zinc/73/15/91/562731591.db2.gz SAKZRMKAJKEMKV-UHFFFAOYSA-N 0 1 587.709 5.991 1 0 KKAFMN CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000072280197 562733029 /nfs/dbraw/zinc/73/30/29/562733029.db2.gz CMPOHJWPONDMJV-PTYIDMFESA-N 0 1 563.783 6.440 1 0 KKAFMN CCc1nc(Cc2ccccc2)sc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000072280197 562733027 /nfs/dbraw/zinc/73/30/27/562733027.db2.gz CMPOHJWPONDMJV-PTYIDMFESA-N 0 1 563.783 6.440 1 0 KKAFMN CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000072280197 562733028 /nfs/dbraw/zinc/73/30/28/562733028.db2.gz CMPOHJWPONDMJV-PTYIDMFESA-N 0 1 563.783 6.440 1 0 KKAFMN CCC1CCC(C(=O)N[C@@H]2Cc3ccc(F)c(n3)CCC(=O)Nc3cc(NC(=O)OC)ccc3-c3nc2[nH]c3Cl)CC1 ZINC000072316248 562733084 /nfs/dbraw/zinc/73/30/84/562733084.db2.gz DCSVISKRQPGGMH-XSVIMGFGSA-N 0 1 597.091 5.944 1 0 KKAFMN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000073163838 562734270 /nfs/dbraw/zinc/73/42/70/562734270.db2.gz NPMCEFXQQVODJR-AREMUKBSSA-N 0 1 514.012 6.053 1 0 KKAFMN O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000073196376 562735137 /nfs/dbraw/zinc/73/51/37/562735137.db2.gz YRDBYJNFZJBXNY-WJOKGBTCSA-N 0 1 534.700 5.649 1 0 KKAFMN CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1nc(C)c(-c2ccc(F)cc2)s1 ZINC000073224603 562736679 /nfs/dbraw/zinc/73/66/79/562736679.db2.gz ZBLJDTBAHMXIQE-UHFFFAOYSA-N 0 1 524.574 5.449 1 0 KKAFMN Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(CNCCF)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082156849 562740785 /nfs/dbraw/zinc/74/07/85/562740785.db2.gz QAPDQBMZFFLBPI-SSEXGKCCSA-N 0 1 678.032 5.968 1 0 KKAFMN CCN1CCN(C[C@H]2S[C@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164950 562741343 /nfs/dbraw/zinc/74/13/43/562741343.db2.gz ANPQBASXSZBVPK-QIKUIUABSA-N 0 1 709.852 5.249 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CC[NH+](Cc2ccc(C3([N@@H+](C)[C@@H](C(=O)[O-])C(C)C)CCCC3)cc2F)CC1 ZINC000084403285 562742956 /nfs/dbraw/zinc/74/29/56/562742956.db2.gz MJGLFGYVQHTJNU-MGBGTMOVSA-N 0 1 574.785 6.823 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(Cc2ccc(C3([N@H+](C)[C@@H](C(=O)[O-])C(C)C)CCCC3)cc2F)CC1 ZINC000084403285 562742957 /nfs/dbraw/zinc/74/29/57/562742957.db2.gz MJGLFGYVQHTJNU-MGBGTMOVSA-N 0 1 574.785 6.823 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(Cc2ccc(C3([N@@H+](C)[C@@H](C(=O)[O-])C(C)C)CCCC3)cc2F)CC1 ZINC000084403285 562742958 /nfs/dbraw/zinc/74/29/58/562742958.db2.gz MJGLFGYVQHTJNU-MGBGTMOVSA-N 0 1 574.785 6.823 1 0 KKAFMN CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1 ZINC000084598217 562743999 /nfs/dbraw/zinc/74/39/99/562743999.db2.gz CVLQBOKVCROUJQ-UHFFFAOYSA-N 0 1 508.824 8.278 1 0 KKAFMN COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 ZINC000084603286 562744151 /nfs/dbraw/zinc/74/41/51/562744151.db2.gz HMTUYKXYSLVGDI-NSHDSACASA-N 0 1 506.431 5.145 1 0 KKAFMN CC(C)=CCC1(CC=C(C)C)C(=O)[C@](O)(CC=C(C)C)C(=O)c2oc3cc4c(c(O)c3c(=O)c21)C=CC(C)(C)O4 ZINC000084617166 562744778 /nfs/dbraw/zinc/74/47/78/562744778.db2.gz JSDUZPVYJLXUCC-XIFFEERXSA-N 0 1 546.660 6.486 1 0 KKAFMN CC(C)=CCC1(CC=C(C)C)C(=O)[C@](O)(CC=C(C)C)C(=O)c2oc3cc4c(c(=O)c-3c(O)c21)C=CC(C)(C)O4 ZINC000084617166 562744779 /nfs/dbraw/zinc/74/47/79/562744779.db2.gz JSDUZPVYJLXUCC-XIFFEERXSA-N 0 1 546.660 6.486 1 0 KKAFMN CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084632233 562745447 /nfs/dbraw/zinc/74/54/47/562745447.db2.gz CYOVZSWTZMONDR-AUFCLJJTSA-N 0 1 632.865 7.205 1 0 KKAFMN CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084632233 562745448 /nfs/dbraw/zinc/74/54/48/562745448.db2.gz CYOVZSWTZMONDR-AUFCLJJTSA-N 0 1 632.865 7.205 1 0 KKAFMN COc1cc2c(cc1OC[C@@H]1CCCN(CCF)C1)ncnc2Nc1ccc(Br)cc1F ZINC000084722549 562751022 /nfs/dbraw/zinc/75/10/22/562751022.db2.gz CUDNVNAJWGYIIW-OAHLLOKOSA-N 0 1 507.379 5.344 1 0 KKAFMN O=C(N[C@H](Cc1ccccc1)CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1cncs1 ZINC000095539366 562754995 /nfs/dbraw/zinc/75/49/95/562754995.db2.gz YKGANGZPZGMFOH-ZTJXOPACSA-N 0 1 840.066 7.271 1 0 KKAFMN C[C@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548799 562759506 /nfs/dbraw/zinc/75/95/06/562759506.db2.gz PUWXIJWAYYMLGI-FFEQUZFJSA-N 0 1 788.864 5.797 1 0 KKAFMN Oc1cccc(-c2nc(-c3ccc(-c4[nH]c(-c5cccc(O)c5)nc4-c4cccc(I)c4)cc3)c(-c3cccc(I)c3)[nH]2)c1 ZINC000095548933 562759639 /nfs/dbraw/zinc/75/96/39/562759639.db2.gz IRFXCMDIWANXLS-UHFFFAOYSA-N 0 1 798.422 9.755 1 0 KKAFMN Oc1cccc(-c2nc(-c3ccc(-c4nc(-c5cccc(O)c5)[nH]c4-c4cccc(I)c4)cc3)c(-c3cccc(I)c3)[nH]2)c1 ZINC000095548933 562759640 /nfs/dbraw/zinc/75/96/40/562759640.db2.gz IRFXCMDIWANXLS-UHFFFAOYSA-N 0 1 798.422 9.755 1 0 KKAFMN O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCNCCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O ZINC000095550328 562760083 /nfs/dbraw/zinc/76/00/83/562760083.db2.gz YHURRSCVZIYTJY-UHFFFAOYSA-N 0 1 775.957 7.898 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095559172 562762665 /nfs/dbraw/zinc/76/26/65/562762665.db2.gz HDXSSHQDDFZNCC-UHFFFAOYSA-N 0 1 626.680 6.255 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(Nc6ccccn6)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095564254 562764229 /nfs/dbraw/zinc/76/42/29/562764229.db2.gz JLAAAHRHWJQEGI-UHFFFAOYSA-N 0 1 617.701 6.906 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(F)cc4nc3-c3ccccc3)cc2)CC1 ZINC000095564632 562764408 /nfs/dbraw/zinc/76/44/08/562764408.db2.gz FYONNVQWUSQMHX-UHFFFAOYSA-N 0 1 529.619 6.995 3 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095566420 562764935 /nfs/dbraw/zinc/76/49/35/562764935.db2.gz CGLNLVFPHXEQAP-DSNGTPCMSA-N 0 1 653.529 7.008 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095566615 562765173 /nfs/dbraw/zinc/76/51/73/562765173.db2.gz DWBBIMOOPOSMMP-PCFSMJPMSA-N 0 1 617.549 6.058 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095568364 562766555 /nfs/dbraw/zinc/76/65/55/562766555.db2.gz HTBVGGFTFZKUKZ-JJWUTGECSA-N 0 1 651.635 5.947 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095568711 562766850 /nfs/dbraw/zinc/76/68/50/562766850.db2.gz WWIBJYPAJPFNSR-BTOMHAHJSA-N 0 1 635.592 7.143 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095569228 562767272 /nfs/dbraw/zinc/76/72/72/562767272.db2.gz IVNKSYFTCQFKFE-YHJOQWEYSA-N 0 1 646.810 5.040 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095569226 562767318 /nfs/dbraw/zinc/76/73/18/562767318.db2.gz BTOKSVPFEBLMIX-SNCSJZQCSA-N 0 1 712.719 6.384 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569489 562767463 /nfs/dbraw/zinc/76/74/63/562767463.db2.gz QLYAZMSBNLAUET-MKVNITDJSA-N 0 1 692.842 5.735 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571000 562768658 /nfs/dbraw/zinc/76/86/58/562768658.db2.gz HIQVTQYFSNAZIX-ANSQWYIGSA-N 0 1 627.594 6.208 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095571422 562769075 /nfs/dbraw/zinc/76/90/75/562769075.db2.gz RZRAZDHUSITVCK-TZNXZYKKSA-N 0 1 656.828 5.327 1 0 KKAFMN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2CN(CCF)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095572138 562769325 /nfs/dbraw/zinc/76/93/25/562769325.db2.gz PSZPFAYNFMJXDQ-XPYDGVJRSA-N 0 1 507.009 5.198 1 0 KKAFMN Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc(NC3CCCCC3)nc2)nn1 ZINC000095575204 562770241 /nfs/dbraw/zinc/77/02/41/562770241.db2.gz MWUBHDHHMFIRMG-UHFFFAOYSA-N 0 1 633.723 5.796 1 0 KKAFMN CCC(C)(CC)C[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Br)c2)c1)[N@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095576531 562770693 /nfs/dbraw/zinc/77/06/93/562770693.db2.gz KOUBAHNTPUBTSW-JYFHCDHNSA-N 0 1 612.565 6.693 1 0 KKAFMN COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3O)[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000095577348 562770946 /nfs/dbraw/zinc/77/09/46/562770946.db2.gz SSBQAYWVYHYXCO-MUUNZHRXSA-N 0 1 512.993 6.625 1 0 KKAFMN Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc(N3CCCCC3)nc2)nn1 ZINC000095578082 562771177 /nfs/dbraw/zinc/77/11/77/562771177.db2.gz BXKGOZLXSUGMSZ-UHFFFAOYSA-N 0 1 619.696 5.042 1 0 KKAFMN O=C(NCc1ccc(Cl)s1)c1cccc(-c2nc3ccc(Oc4ccccc4C(F)(F)F)cc3[nH]2)c1 ZINC000095587913 562774444 /nfs/dbraw/zinc/77/44/44/562774444.db2.gz XRVZEKWPDAOGQP-UHFFFAOYSA-N 0 1 527.955 7.686 1 0 KKAFMN C[NH+](C)CCOc1ccc(-c2nc(-c3ccc4c([C@H](O)C(F)(F)F)csc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095588339 562774614 /nfs/dbraw/zinc/77/46/14/562774614.db2.gz NARRGMMZZFHNIL-SANMLTNESA-N 0 1 538.595 6.557 1 0 KKAFMN CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N2C[C@@H](C)N[C@@H](C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095595599 562776761 /nfs/dbraw/zinc/77/67/61/562776761.db2.gz RQDVVPMBVHKOHC-LIGSZVBYSA-N 0 1 640.681 6.436 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599767 562778358 /nfs/dbraw/zinc/77/83/58/562778358.db2.gz CHFYKRHHVBHPRB-YUKNNVIKSA-N 0 1 685.693 7.565 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095600254 562778740 /nfs/dbraw/zinc/77/87/40/562778740.db2.gz CBAAPWVHONFTKW-KOVGSKFNSA-N 0 1 724.843 6.039 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095604021 562780846 /nfs/dbraw/zinc/78/08/46/562780846.db2.gz CBAAPWVHONFTKW-JTBGFZTISA-N 0 1 724.843 6.039 1 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)O3)cc1 ZINC000095604370 562780997 /nfs/dbraw/zinc/78/09/97/562780997.db2.gz ISGWUMSRLISZDA-NUNJUMJCSA-N 0 1 720.760 7.030 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000095606411 562782070 /nfs/dbraw/zinc/78/20/70/562782070.db2.gz WYEUTPJDGLHBSW-HTGHOQDLSA-N 0 1 558.742 5.781 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000095606411 562782071 /nfs/dbraw/zinc/78/20/71/562782071.db2.gz WYEUTPJDGLHBSW-HTGHOQDLSA-N 0 1 558.742 5.781 1 0 KKAFMN Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3NC(=O)[C@H](N)CO)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095612450 562785505 /nfs/dbraw/zinc/78/55/05/562785505.db2.gz KHPQHOQTMRAMGT-QEBBNDAHSA-N 0 1 764.974 9.217 1 0 KKAFMN CC(=O)OC1=C2C(C)[C@@H](OC(C)=O)C[C@@](O)([C@@H](OCc3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)COc4cccc5ccccc54)[C@@]3(C)C1=O)C2(C)C ZINC000095612942 562785947 /nfs/dbraw/zinc/78/59/47/562785947.db2.gz ZZAXLOQQLBOEMQ-QRDLWHOWSA-N 0 1 798.882 5.366 1 0 KKAFMN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccc(-c3cccnc3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095614607 562786778 /nfs/dbraw/zinc/78/67/78/562786778.db2.gz OARZXNSLQPJZNK-LOYHUUGPSA-N 0 1 820.981 5.291 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)s3)cc2[nH]1)C(C)C ZINC000095627785 562788029 /nfs/dbraw/zinc/78/80/29/562788029.db2.gz BBIYZQWLKKEVDB-ANFUHZJESA-N 0 1 768.941 6.923 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)s3)ccc2[nH]1)C(C)C ZINC000095627785 562788030 /nfs/dbraw/zinc/78/80/30/562788030.db2.gz BBIYZQWLKKEVDB-ANFUHZJESA-N 0 1 768.941 6.923 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095750076 562788816 /nfs/dbraw/zinc/78/88/16/562788816.db2.gz YXHKERWYZAWNCQ-FXKJGQKXSA-N 0 1 716.297 5.767 1 0 KKAFMN COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095774315 562789022 /nfs/dbraw/zinc/78/90/22/562789022.db2.gz URUYPBZFUNKRKA-GMKFGHRTSA-N 0 1 673.898 5.485 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095782458 562789087 /nfs/dbraw/zinc/78/90/87/562789087.db2.gz QWTHGLUFUCUWTA-NUNJUMJCSA-N 0 1 684.705 7.102 1 0 KKAFMN COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095819243 562789221 /nfs/dbraw/zinc/78/92/21/562789221.db2.gz URUYPBZFUNKRKA-GSDPCRBASA-N 0 1 673.898 5.485 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867035 562789793 /nfs/dbraw/zinc/78/97/93/562789793.db2.gz TYIUHSCZBUSREW-WOGZVKCMSA-N 0 1 594.583 6.642 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2C(F)(F)F)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095868991 562789922 /nfs/dbraw/zinc/78/99/22/562789922.db2.gz AZIJFCJKAWQBQX-DUELTEGESA-N 0 1 593.690 6.354 1 0 KKAFMN COc1cc(Cl)ccc1-c1cccn2nc(Nc3cccc(C4CCN(CC(=O)N(C)C)CC4)c3)nc12 ZINC000096169835 562790863 /nfs/dbraw/zinc/79/08/63/562790863.db2.gz HIGPCIBOAQMQMH-UHFFFAOYSA-N 0 1 519.049 5.070 1 0 KKAFMN CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169832 562790891 /nfs/dbraw/zinc/79/08/91/562790891.db2.gz DNPZJPXOXCQXPR-UHFFFAOYSA-N 0 1 588.581 5.291 1 0 KKAFMN COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3cccc(C4CCN(CC(=O)N(C)C)CC4)c3)nc12 ZINC000096169910 562790977 /nfs/dbraw/zinc/79/09/77/562790977.db2.gz DPDRIPIWHJZODU-UHFFFAOYSA-N 0 1 552.601 5.435 1 0 KKAFMN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c4nccnc34)cn2)CC1 ZINC000096173398 562791390 /nfs/dbraw/zinc/79/13/90/562791390.db2.gz MTJVGPHBDRHWCE-UHFFFAOYSA-N 0 1 567.477 5.410 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096173955 562791609 /nfs/dbraw/zinc/79/16/09/562791609.db2.gz ZUHVZIMLNIPCPS-UHFFFAOYSA-N 0 1 540.631 5.533 1 0 KKAFMN Cc1nc(C)c(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)s1 ZINC000096174086 562791634 /nfs/dbraw/zinc/79/16/34/562791634.db2.gz TTZHLPKPXHCBLJ-UHFFFAOYSA-N 0 1 598.758 5.070 1 0 KKAFMN CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1 ZINC000096174843 562791820 /nfs/dbraw/zinc/79/18/20/562791820.db2.gz PBHDCPWPSOSGGD-UHFFFAOYSA-N 0 1 580.655 5.901 1 0 KKAFMN COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907742 562799237 /nfs/dbraw/zinc/79/92/37/562799237.db2.gz DUMWFMFWWQGRCL-SXSCYYOBSA-N 0 1 664.644 7.035 1 0 KKAFMN CCCOc1ccc(NC(=S)Nc2ccccc2)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1 ZINC000096916035 562801152 /nfs/dbraw/zinc/80/11/52/562801152.db2.gz YNNDKGLLXWRWSE-UHFFFAOYSA-N 0 1 501.450 5.921 1 0 KKAFMN CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1 ZINC000096921423 562801405 /nfs/dbraw/zinc/80/14/05/562801405.db2.gz UAOWACOVBZWCJS-XUTHUYCTSA-N 0 1 764.367 5.647 1 0 KKAFMN CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1 ZINC000096921425 562801429 /nfs/dbraw/zinc/80/14/29/562801429.db2.gz UAOWACOVBZWCJS-KQIHHXPCSA-N 0 1 764.367 5.647 1 0 KKAFMN CCN1CCN(CN2C(=O)S[C@H](N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(Cl)cc3)C2=O)CC1 ZINC000096921568 562801477 /nfs/dbraw/zinc/80/14/77/562801477.db2.gz MVJZVYGZPFMUAF-XCZPVHLTSA-N 0 1 548.112 5.261 1 0 KKAFMN CCOc1cc(N)c(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000096928310 562802881 /nfs/dbraw/zinc/80/28/81/562802881.db2.gz KUMUCDJXWXYHEV-UHFFFAOYSA-N 0 1 646.163 6.291 1 0 KKAFMN COc1ccc(C(/C=C/C[N@H+]2CCC[C@H](C(=O)[O-])C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000096929372 562803052 /nfs/dbraw/zinc/80/30/52/562803052.db2.gz RNLUGOUUDNQOGZ-AVDOZPHPSA-N 0 1 501.623 5.400 1 0 KKAFMN C=C1N=C(C)C(C(=O)OCC)[C@H](c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C1C(=O)OCC ZINC000100037105 562806308 /nfs/dbraw/zinc/80/63/08/562806308.db2.gz QCUCGGLZTFSKRO-VBBMGMQESA-N 0 1 530.621 6.337 1 0 KKAFMN Cc1[nH]nc2ccc(NC(=O)C3=C(C)NC(c4ccnc(Cl)c4)=N[C@H]3c3ccc(Cl)cc3F)cc12 ZINC000100085551 562806747 /nfs/dbraw/zinc/80/67/47/562806747.db2.gz VLMQNCCSDWVDDD-QHCPKHFHSA-N 0 1 509.372 5.716 1 0 KKAFMN O=c1oc2c(c([O-])c1[C@H](c1cccc(NS(=O)(=O)c3ccc(I)cc3)c1)C1CC1)CCCCCC2 ZINC000100764438 562807734 /nfs/dbraw/zinc/80/77/34/562807734.db2.gz KDCDFBRQEIKTIR-DEOSSOPVSA-N 0 1 605.494 5.952 1 0 KKAFMN CCN1CC2=C(N=C3SC=C(C)N3[C@@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929157 562813551 /nfs/dbraw/zinc/81/35/51/562813551.db2.gz SOIKWGFTIHYYLR-UGWFNERFSA-N 0 1 519.667 5.715 1 0 KKAFMN Cc1ccccc1OCc1ccccc1-c1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000103198748 562815994 /nfs/dbraw/zinc/81/59/94/562815994.db2.gz DNLRFNRIYADZAZ-UHFFFAOYSA-N 0 1 545.752 7.605 1 0 KKAFMN O=c1c(Cc2cccs2)cc(-c2ccccc2)nn1CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000103220516 562817424 /nfs/dbraw/zinc/81/74/24/562817424.db2.gz BVLUJWNOMYFAQA-UHFFFAOYSA-N 0 1 505.087 5.428 1 0 KKAFMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(-c2ccc(-c3ccccc3)cc2)n1)C(=O)NCc1ccccc1 ZINC000103298035 562824683 /nfs/dbraw/zinc/82/46/83/562824683.db2.gz RETCJQQQWQAHTD-WEZIJMHWSA-N 0 1 582.708 5.139 1 0 KKAFMN COC(=O)[C@H](Cc1cnc(-c2ccc(C(C)(C)C)cc2)[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000103298046 562824694 /nfs/dbraw/zinc/82/46/94/562824694.db2.gz UGFMTSWVBFGLND-SVBPBHIXSA-N 0 1 587.721 5.192 1 0 KKAFMN COC(=O)[C@H](Cc1cnc(-c2ccc(-c3ccccc3)cc2)[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000103298049 562824717 /nfs/dbraw/zinc/82/47/17/562824717.db2.gz ZYEUYFMRMDZLKH-KYJUHHDHSA-N 0 1 607.711 5.561 1 0 KKAFMN COc1cc2c(cc1OCCCCCCN1CCN(C(=O)c3nc(-c4ccccc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000103298987 562824837 /nfs/dbraw/zinc/82/48/37/562824837.db2.gz STOMVKQWZGWSMR-NDEPHWFRSA-N 0 1 634.781 5.728 1 0 KKAFMN COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(CN5CCN(C)CC5)cc4)c3c2)cc(Cl)c1O ZINC000114034918 562826989 /nfs/dbraw/zinc/82/69/89/562826989.db2.gz GNNKRLDSHAWPBS-UHFFFAOYSA-N 0 1 531.056 5.963 1 0 KKAFMN Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cccc(Cl)c4F)[nH]c3Cl)ccc12 ZINC000115468717 562828866 /nfs/dbraw/zinc/82/88/66/562828866.db2.gz HEJKMOSPHXSOAW-FQEVSTJZSA-N 0 1 538.414 5.764 1 0 KKAFMN COc1ccc(CC[N@@H+](C)CCOc2ccc(NC(=O)c3cccc4c3Nc3ccccc3S4)cc2)cc1OC ZINC000135734898 562831029 /nfs/dbraw/zinc/83/10/29/562831029.db2.gz CSLHVZLXSFVZER-UHFFFAOYSA-N 0 1 555.700 6.718 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3N2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138928460 562832276 /nfs/dbraw/zinc/83/22/76/562832276.db2.gz YTHUQGIGAIZNIM-GDLZYMKVSA-N 0 1 519.653 5.078 1 0 KKAFMN CCN1c2ccc(OCCCN(CCn3ccc4sccc4c3=O)Cc3cccnc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139593134 562832642 /nfs/dbraw/zinc/83/26/42/562832642.db2.gz CBJBDCXJQSNMSZ-UHFFFAOYSA-N 0 1 601.773 5.093 1 0 KKAFMN C[C@H]1CCCC[N@H+]1CCCNc1ncc2c3ccc(C(=O)[O-])cc3nc(Nc3ccc(F)c(Cl)c3)c2n1 ZINC000140098679 562832913 /nfs/dbraw/zinc/83/29/13/562832913.db2.gz MNFAZAUARUPSEG-INIZCTEOSA-N 0 1 523.012 6.089 1 0 KKAFMN Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc43)c(C(=O)[O-])n(CC[NH+]3CCOCC3)c21 ZINC000143977927 562835564 /nfs/dbraw/zinc/83/55/64/562835564.db2.gz ZFODCXXHTZVRJL-UHFFFAOYSA-N 0 1 548.683 6.812 1 0 KKAFMN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3cccc(CN4CCN(C)CC4)c3)ncc2C1 ZINC000146196581 562838306 /nfs/dbraw/zinc/83/83/06/562838306.db2.gz HJRJXYSRPDUZLG-UHFFFAOYSA-N 0 1 615.704 6.110 1 0 KKAFMN CCC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000146545912 562838665 /nfs/dbraw/zinc/83/86/65/562838665.db2.gz SGDOKPUSXQWQSV-ZBYWYFIHSA-N 0 1 610.590 6.542 1 0 KKAFMN C[N@@H+]1CC=C(c2ccc(C(F)(F)F)cc2-c2cccc3c2CCN(S(=O)(=O)N=c2[n-]cc(F)s2)C3)CC1 ZINC000147420997 562839332 /nfs/dbraw/zinc/83/93/32/562839332.db2.gz GPFJATGTAHFICK-UHFFFAOYSA-N 0 1 552.619 5.402 1 0 KKAFMN CCN1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5c(N)nc(N6CCCC6)nc45)c3)cc(C(F)(F)F)c2)CC1 ZINC000148054669 562840008 /nfs/dbraw/zinc/84/00/08/562840008.db2.gz RSNDMUVGDLUKRD-UHFFFAOYSA-N 0 1 620.684 5.067 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCSCC3)nc21 ZINC000148105296 562840195 /nfs/dbraw/zinc/84/01/95/562840195.db2.gz SQTXKKBDUXZYKY-UHFFFAOYSA-N 0 1 608.694 5.892 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC(F)(F)CC3)nc21 ZINC000148111997 562840247 /nfs/dbraw/zinc/84/02/47/562840247.db2.gz OCYDBUPISUBRLC-UHFFFAOYSA-N 0 1 626.634 6.574 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccc3)nc21 ZINC000148116719 562840254 /nfs/dbraw/zinc/84/02/54/562840254.db2.gz IENIWKYLFYGQOM-UHFFFAOYSA-N 0 1 612.660 6.951 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC3CC3)nc21 ZINC000148138103 562840318 /nfs/dbraw/zinc/84/03/18/562840318.db2.gz HPMNWSCVNKKPTL-UHFFFAOYSA-N 0 1 562.600 5.913 1 0 KKAFMN CO[C@@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)[C@H](C)C1 ZINC000149133611 562842218 /nfs/dbraw/zinc/84/22/18/562842218.db2.gz JNKKVZRAWUWKEO-DENIHFKCSA-N 0 1 564.656 6.530 1 0 KKAFMN CCO[C@@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)[C@H](C)C1 ZINC000149150833 562842299 /nfs/dbraw/zinc/84/22/99/562842299.db2.gz DWCXAHQFIRCPQL-WIYYLYMNSA-N 0 1 575.161 5.858 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)cc5Cl)cc4)nc(N(C)C)n3)ccc12 ZINC000150586630 562845865 /nfs/dbraw/zinc/84/58/65/562845865.db2.gz 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ZINC000169325362 562857586 /nfs/dbraw/zinc/85/75/86/562857586.db2.gz FPSQCNJOOSLMGF-UHFFFAOYSA-N 0 1 961.134 9.391 1 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000169341402 562860852 /nfs/dbraw/zinc/86/08/52/562860852.db2.gz FXBRKPQSDRLSKQ-UHFFFAOYSA-N 0 1 528.453 5.934 1 0 KKAFMN CC(C)(C)C(=O)NCc1ccc(F)c(Nc2nc3cc(F)c(C(=O)Nc4ccc(F)c(Cl)c4)cc3[nH]2)c1F ZINC000169703073 562868578 /nfs/dbraw/zinc/86/85/78/562868578.db2.gz ARNVKNWQGDEDOQ-UHFFFAOYSA-N 0 1 547.940 6.431 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(CCc3ccc4[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4c3)cc2[nH]1)C(C)C ZINC000198472277 562872678 /nfs/dbraw/zinc/87/26/78/562872678.db2.gz LYWQAYBYLYHCBP-YDPTYEFTSA-N 0 1 714.868 5.313 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(CCc3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4c3)cc2[nH]1)C(C)C ZINC000198472277 562872679 /nfs/dbraw/zinc/87/26/79/562872679.db2.gz LYWQAYBYLYHCBP-YDPTYEFTSA-N 0 1 714.868 5.313 1 0 KKAFMN CCN1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1 ZINC000199802497 562873097 /nfs/dbraw/zinc/87/30/97/562873097.db2.gz CTHQUTHHHNLCMC-AVRDEDQJSA-N 0 1 528.607 5.078 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6C[C@@H](F)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5)cc4)ccc3c2[nH]1)C(C)C ZINC000205019847 562874738 /nfs/dbraw/zinc/87/47/38/562874738.db2.gz ZDYWXTBZDQLVCG-TWAWQFONSA-N 0 1 825.031 7.277 1 0 KKAFMN CN1CCN(c2ccc(Nc3ncc4c(n3)CCN(c3cc(NC(=O)c5cc(F)cc(C(F)(F)F)c5)ccc3Cl)C4=O)cc2)CC1 ZINC000205372674 562875281 /nfs/dbraw/zinc/87/52/81/562875281.db2.gz BMUZSPWSFKIRFG-UHFFFAOYSA-N 0 1 654.068 6.239 1 0 KKAFMN Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)nc3)cc(N(C)C3CCCCC3)c2C)c(=O)[nH]1 ZINC000205722040 562875846 /nfs/dbraw/zinc/87/58/46/562875846.db2.gz IPDNSMZSSSLILE-UHFFFAOYSA-N 0 1 515.702 5.123 1 0 KKAFMN CN1CCN(c2ccc(Nc3ncc4c(n3)CCN(c3cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc3Cl)C4)cc2)CC1 ZINC000206259680 562876426 /nfs/dbraw/zinc/87/64/26/562876426.db2.gz OYEXZDHGVURKPH-UHFFFAOYSA-N 0 1 622.095 6.459 1 0 KKAFMN O=C(c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000220542550 562878562 /nfs/dbraw/zinc/87/85/62/562878562.db2.gz KQGWVBVSXWROQI-UHFFFAOYSA-N 0 1 519.450 5.004 1 0 KKAFMN CC[N@@H+](C)CCCNC(=O)c1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])cc1 ZINC000220842346 562878655 /nfs/dbraw/zinc/87/86/55/562878655.db2.gz KLOMNNNWEVKTNS-UHFFFAOYSA-N 0 1 568.526 7.221 1 0 KKAFMN COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccccc2F)CO1)C(c1ccccc1)c1ccccc1 ZINC000222633167 562879850 /nfs/dbraw/zinc/87/98/50/562879850.db2.gz REZQFVKDZPXLLL-WIAUUWKYSA-N 0 1 668.766 5.537 1 0 KKAFMN COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)N[C@@H]2CCc3ccccc32)CO1)C(c1ccccc1)c1ccccc1 ZINC000222635901 562879866 /nfs/dbraw/zinc/87/98/66/562879866.db2.gz HPWOWDGKGVPHHW-RPWYQEBTSA-N 0 1 676.814 5.885 1 0 KKAFMN CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc3n1C2 ZINC000222512003 562879875 /nfs/dbraw/zinc/87/98/75/562879875.db2.gz MTTZZZXOFXUQFU-LVOOPHLZSA-N 0 1 673.880 5.083 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[C@H](F)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5[nH]c([C@@H]6C[C@@H](F)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)cc3)cc2[nH]1)C(C)C ZINC000223244491 562880135 /nfs/dbraw/zinc/88/01/35/562880135.db2.gz MOBZMOXIXQMKMJ-JORZLXMFSA-N 0 1 798.892 6.757 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[C@H](F)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@@H](F)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1)C(C)C ZINC000223244491 562880136 /nfs/dbraw/zinc/88/01/36/562880136.db2.gz MOBZMOXIXQMKMJ-JORZLXMFSA-N 0 1 798.892 6.757 1 0 KKAFMN O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000224362568 562880436 /nfs/dbraw/zinc/88/04/36/562880436.db2.gz UXWAIEZVMYLCRX-UHFFFAOYSA-N 0 1 555.578 5.178 1 0 KKAFMN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)N(C)C(C)(C)C)cc(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 ZINC000299824289 562883215 /nfs/dbraw/zinc/88/32/15/562883215.db2.gz ITJQIZJYWBEFTG-XHFTYQSUSA-N 0 1 824.965 5.684 1 0 KKAFMN CN1CCN(CCn2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)c3cc(C(C)(C)C)ccc32)CC1 ZINC000299839137 562888081 /nfs/dbraw/zinc/88/80/81/562888081.db2.gz RTOXQOJKMVSSIP-UHFFFAOYSA-N 0 1 502.703 5.096 1 0 KKAFMN Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc3[nH]cnc3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299839207 562888103 /nfs/dbraw/zinc/88/81/03/562888103.db2.gz QTEHMMQPUCBGRJ-UHFFFAOYSA-N 0 1 518.499 6.531 1 0 KKAFMN CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299842991 562888936 /nfs/dbraw/zinc/88/89/36/562888936.db2.gz RCRKUTFIUCSOQL-KBNBONSUSA-N 0 1 810.938 5.296 1 0 KKAFMN 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/nfs/dbraw/zinc/89/74/80/562897480.db2.gz MVCVEECYDOZHIQ-UHFFFAOYSA-N 0 1 596.673 6.127 1 0 KKAFMN CCOC(=O)CCCOc1cc(=O)c2c(O)c(OCCCC(=O)OCC)c(-c3ccc(OC)cc3)oc-2c1CC=C(C)C ZINC000473089916 562897481 /nfs/dbraw/zinc/89/74/81/562897481.db2.gz MVCVEECYDOZHIQ-UHFFFAOYSA-N 0 1 596.673 6.127 1 0 KKAFMN CCOC(=O)CCCOc1cc(O)c2c(=O)c(OCCCC(=O)OCC)c(-c3ccc(OC)cc3)oc2c1CC=C(C)C ZINC000473089916 562897482 /nfs/dbraw/zinc/89/74/82/562897482.db2.gz MVCVEECYDOZHIQ-UHFFFAOYSA-N 0 1 596.673 6.127 1 0 KKAFMN COc1ccc(C[C@@H]2c3ccc(NCCCC(=O)OC(C)(C)C)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000473094817 562897799 /nfs/dbraw/zinc/89/77/99/562897799.db2.gz WHVXVHKHGIXKRO-SSEXGKCCSA-N 0 1 587.761 5.696 1 0 KKAFMN Cc1cc(C)cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(F)cc2)NC(=O)[C@@H]3Cc2ccccc2)c1 ZINC000473104900 562898131 /nfs/dbraw/zinc/89/81/31/562898131.db2.gz PQNJKRMRYBHPBZ-RUZDIDTESA-N 0 1 516.594 6.314 1 0 KKAFMN Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000473106912 562898289 /nfs/dbraw/zinc/89/82/89/562898289.db2.gz ZGKMSCDQIDVSIK-FNFCYJGBSA-N 0 1 692.657 5.373 1 0 KKAFMN CC[N@H+](CCCCOc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC ZINC000473114982 562898976 /nfs/dbraw/zinc/89/89/76/562898976.db2.gz QBYCNPOCPXMJCE-UHFFFAOYSA-N 0 1 533.621 5.873 1 0 KKAFMN CC[N@@H+](CCCCOc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC ZINC000473114982 562898977 /nfs/dbraw/zinc/89/89/77/562898977.db2.gz QBYCNPOCPXMJCE-UHFFFAOYSA-N 0 1 533.621 5.873 1 0 KKAFMN C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4ccccn4)cc3[nH]2)C1=O ZINC000473136448 562901066 /nfs/dbraw/zinc/90/10/66/562901066.db2.gz ROIPZUPYFLPORJ-HZAQMHFWSA-N 0 1 506.537 5.942 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(Cl)cc3)cc1)CC2 ZINC000473136931 562901139 /nfs/dbraw/zinc/90/11/39/562901139.db2.gz VHSIZNGXONZADW-UHFFFAOYSA-N 0 1 606.144 6.011 1 0 KKAFMN O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152131 562901751 /nfs/dbraw/zinc/90/17/51/562901751.db2.gz PIMVOLFWKGGQEH-ZPMCFJSWSA-N 0 1 556.509 6.943 1 0 KKAFMN O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000473152134 562901761 /nfs/dbraw/zinc/90/17/61/562901761.db2.gz RSKJDTLFUJLASQ-HSQYWUDLSA-N 0 1 554.518 5.966 1 0 KKAFMN CC(=O)c1cnc2cc(C)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473183025 562903523 /nfs/dbraw/zinc/90/35/23/562903523.db2.gz KHCOMASJXJWELU-UAPYVXQJSA-N 0 1 500.470 6.379 1 0 KKAFMN C[C@@H](c1ccc2c(c1)CCO2)[N@H+](Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(Cl)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473228809 562904334 /nfs/dbraw/zinc/90/43/34/562904334.db2.gz QACXRRORKQFVHM-FUDKSRODSA-N 0 1 584.113 5.002 1 0 KKAFMN CC[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473228893 562904369 /nfs/dbraw/zinc/90/43/69/562904369.db2.gz VGFQNNILHKZWIO-CVJWPJSTSA-N 0 1 571.114 5.721 1 0 KKAFMN C[C@H](c1ccc2c(c1)CCO2)[N@H+](Cc1ccc(CCCN2C(=O)CCC2=O)c(Cl)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473228970 562904391 /nfs/dbraw/zinc/90/43/91/562904391.db2.gz YSMMSLKAUGEABX-TZBSWOFLSA-N 0 1 567.126 5.811 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)COC1=O ZINC000473228961 562904408 /nfs/dbraw/zinc/90/44/08/562904408.db2.gz YFCLPSLLEDXWQL-JTAQYXEDSA-N 0 1 559.059 5.160 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473243879 562904776 /nfs/dbraw/zinc/90/47/76/562904776.db2.gz CXCNCVYTXKNZER-ONTIZHBOSA-N 0 1 591.532 5.984 1 0 KKAFMN COc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1cc(Cl)c(O)cc1O ZINC000653679911 562906319 /nfs/dbraw/zinc/90/63/19/562906319.db2.gz KURLHYDERFSDAV-HXUWFJFHSA-N 0 1 523.376 5.600 1 0 KKAFMN Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCCCN3CCOCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653682404 562906405 /nfs/dbraw/zinc/90/64/05/562906405.db2.gz WHDSYWKMHQACKG-UHFFFAOYSA-N 0 1 603.119 5.855 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)n5)cc4)ccc3c2[nH]1)C(C)C ZINC000653687421 562906544 /nfs/dbraw/zinc/90/65/44/562906544.db2.gz DNMDVZIRKUPGRK-WPORPCJVSA-N 0 1 823.040 6.708 1 0 KKAFMN CCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)c(OCCC)c2=O ZINC000653701097 562907512 /nfs/dbraw/zinc/90/75/12/562907512.db2.gz WPQBCUYBRTZYCY-GGXMVOPNSA-N 0 1 564.587 5.331 1 0 KKAFMN Cc1c(C(=O)NC2CCN(C(=O)CN(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000653706013 562907693 /nfs/dbraw/zinc/90/76/93/562907693.db2.gz NGJPSXGANYOABW-UHFFFAOYSA-N 0 1 548.902 5.090 1 0 KKAFMN COc1ccc(Cc2nc(SCc3ccc(I)cc3)[nH]c(=O)c2I)cc1OC ZINC000653705364 562907727 /nfs/dbraw/zinc/90/77/27/562907727.db2.gz ZLDPFYGASPHXNT-UHFFFAOYSA-N 0 1 620.250 5.292 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5ccc4c3)nc2)c[nH]1)C(C)C ZINC000653707708 562907912 /nfs/dbraw/zinc/90/79/12/562907912.db2.gz HMOTUSYTEXDHHX-BBACVFHCSA-N 0 1 808.029 6.724 1 0 KKAFMN Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[N@@H+]3CCC3(C)C)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653762369 562911384 /nfs/dbraw/zinc/91/13/84/562911384.db2.gz LOHICRSBJGVWJA-UHFFFAOYSA-N 0 1 543.067 6.348 1 0 KKAFMN Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[N@H+]3CCC3(C)C)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653762369 562911385 /nfs/dbraw/zinc/91/13/85/562911385.db2.gz LOHICRSBJGVWJA-UHFFFAOYSA-N 0 1 543.067 6.348 1 0 KKAFMN CN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(F)c(F)c5)c4c3)cc2)CC1 ZINC000653786120 562912443 /nfs/dbraw/zinc/91/24/43/562912443.db2.gz ZAVRYMCCFPSJMN-UHFFFAOYSA-N 0 1 503.557 5.043 1 0 KKAFMN CN1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(F)c(F)c5)c4c3)cc2)CC1 ZINC000653786120 562912444 /nfs/dbraw/zinc/91/24/44/562912444.db2.gz ZAVRYMCCFPSJMN-UHFFFAOYSA-N 0 1 503.557 5.043 1 0 KKAFMN O=C(Nc1ccccc1F)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653821657 562914106 /nfs/dbraw/zinc/91/41/06/562914106.db2.gz IJMKETGGVYPMPR-UHFFFAOYSA-N 0 1 511.742 5.618 1 0 KKAFMN C[NH+](C)CCOc1ncc(Nc2cc(N3CC[C@H](c4ccccc4Cl)C3)[nH+]c3cc(F)c(F)cc23)cc1F ZINC000653915591 562917838 /nfs/dbraw/zinc/91/78/38/562917838.db2.gz AZLINZKGCNELEI-KRWDZBQOSA-N 0 1 542.005 6.378 1 0 KKAFMN CCCC[C@@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000653918601 562917939 /nfs/dbraw/zinc/91/79/39/562917939.db2.gz HTBWXRHRBWKCBD-VDCQWMGKSA-N 0 1 819.080 9.261 1 0 KKAFMN COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cc(CO)ccc2CO)cc1O ZINC000085568395 565143518 /nfs/dbraw/zinc/14/35/18/565143518.db2.gz BMVYDMVQQGLTAP-PTYRYEHNSA-N 0 1 655.744 5.496 1 0 biogenic,in-vitro KKAFMN COc1cc(CCC(O)=CC(=O)CCCCCCCCCO)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631525 565164593 /nfs/dbraw/zinc/16/45/93/565164593.db2.gz VHSKCTZPIQHEMZ-JUKUECOXSA-N 0 1 616.779 5.446 1 0 biogenic,in-vitro KKAFMN CN(CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001857008 561679586 /nfs/dbraw/zinc/67/95/86/561679586.db2.gz LTQAJWGSUGQUPR-UHFFFAOYSA-N 0 1 579.704 6.209 1 0 KKAFMN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000003780979 561682357 /nfs/dbraw/zinc/68/23/57/561682357.db2.gz NNQQINUYFDRYPI-RRPNLBNLSA-N 0 1 519.529 7.536 1 0 KKAFMN CC[C@@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C2CC2)c(=O)o1 ZINC000003815648 561682995 /nfs/dbraw/zinc/68/29/95/561682995.db2.gz SEUIMKBYBKTVTL-LGGPFLRQSA-N 0 1 564.103 7.078 1 0 KKAFMN CC[C@@H](C)c1nc(-c2ccc(CN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)c(-c2ccccc2)[nH]c1=O ZINC000003917947 561685321 /nfs/dbraw/zinc/68/53/21/561685321.db2.gz ILSSGVAAXSWLME-JOCHJYFZSA-N 0 1 533.676 6.098 1 0 KKAFMN O=c1cc(NCCCNCc2sc(Br)c(Br)c2Br)[nH]c2ccccc12 ZINC000003923739 561686192 /nfs/dbraw/zinc/68/61/92/561686192.db2.gz AGTOSXYCGRACNE-UHFFFAOYSA-N 0 1 550.114 5.469 1 0 KKAFMN CCCOc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)Nc2c(CC)cccc2CC)cc1 ZINC000003953115 561690676 /nfs/dbraw/zinc/69/06/76/561690676.db2.gz LQEHCKYYIXQEBM-FUKIBTTHSA-N 0 1 558.675 5.809 1 0 in-vitro KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000003981614 561692542 /nfs/dbraw/zinc/69/25/42/561692542.db2.gz SBVKGMUDJCJZJQ-JQTPODDPSA-N 0 1 612.792 7.142 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000003981614 561692543 /nfs/dbraw/zinc/69/25/43/561692543.db2.gz SBVKGMUDJCJZJQ-JQTPODDPSA-N 0 1 612.792 7.142 1 0 KKAFMN COc1cc(OC2CCN([C@@H]3CCCc4c3ccc[n+]4[O-])CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000004383696 561694630 /nfs/dbraw/zinc/69/46/30/561694630.db2.gz XMCRJVIWAZBDSM-SSEXGKCCSA-N 0 1 630.717 5.150 1 0 KKAFMN O=C(CCCN1CCC(Nc2ccc(F)cc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000005941751 561700523 /nfs/dbraw/zinc/70/05/23/561700523.db2.gz UQRJPUOCSXNBHR-UHFFFAOYSA-N 0 1 508.617 5.523 1 0 KKAFMN CC[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccc(OC)cc21 ZINC000008689934 561707652 /nfs/dbraw/zinc/70/76/52/561707652.db2.gz RIEFGETUVZRVBO-JCLYDOAMSA-N 0 1 595.653 8.034 1 0 KKAFMN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2ccc3ncccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000009575199 561709206 /nfs/dbraw/zinc/70/92/06/561709206.db2.gz ZZUNUVBTJDPEEV-AIODKQKWSA-N 0 1 765.945 5.110 1 0 KKAFMN COc1ccc([N-]S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000013441437 561712748 /nfs/dbraw/zinc/71/27/48/561712748.db2.gz XGBXESVSCSHHQI-LJQANCHMSA-N 0 1 506.093 5.347 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc(F)c(F)c2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760924 561727676 /nfs/dbraw/zinc/72/76/76/561727676.db2.gz UQKPGHBTDBFHSZ-XCRWMPKNSA-N 0 1 502.602 5.244 1 0 KKAFMN CC(=O)c1cccc(NC(=O)Nc2ccc(C(N)=O)cc2CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475848 561714683 /nfs/dbraw/zinc/71/46/83/561714683.db2.gz WLMDJDKSCHHUMP-UHFFFAOYSA-N 0 1 502.590 5.226 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCC2 ZINC000013489490 561715906 /nfs/dbraw/zinc/71/59/06/561715906.db2.gz JBTVOWMPTOMYFD-GDLZYMKVSA-N 0 1 515.444 5.906 1 0 KKAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2-c2ccccc2)c1Cl ZINC000013560312 561719725 /nfs/dbraw/zinc/71/97/25/561719725.db2.gz TZBFPEXLKMGYEZ-UHFFFAOYSA-N 0 1 502.017 6.035 1 0 KKAFMN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1cccc(F)c1 ZINC000013646650 561722721 /nfs/dbraw/zinc/72/27/21/561722721.db2.gz JGEJXPDQDZYEEV-OAQYLSRUSA-N 0 1 519.661 5.994 1 0 KKAFMN O=C(CCCCCNc1c2c(nc3cc(Cl)cc(Cl)c31)CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679415 561724551 /nfs/dbraw/zinc/72/45/51/561724551.db2.gz XUNDGPOBBOBIHO-UHFFFAOYSA-N 0 1 523.508 7.233 1 0 KKAFMN O=C([O-])[C@@H]1CCC[N@@H+](CCOC(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)C1 ZINC000013729403 561725135 /nfs/dbraw/zinc/72/51/35/561725135.db2.gz MCFRYOKGGIGYJY-QGZVFWFLSA-N 0 1 507.427 5.386 1 0 KKAFMN CCCC[C@@H]1CCc2cc(C(=O)C(C)C)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740444 561726073 /nfs/dbraw/zinc/72/60/73/561726073.db2.gz HGRLRYSQVKQOPB-HHHXNRCGSA-N 0 1 500.731 6.534 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1C(C)(C)CCCC ZINC000013780882 561729154 /nfs/dbraw/zinc/72/91/54/561729154.db2.gz KZTRFAGJQXEMHL-GDKKVTFASA-N 0 1 502.696 5.529 1 0 KKAFMN CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000013863926 561735117 /nfs/dbraw/zinc/73/51/17/561735117.db2.gz FDJQARYJQHXLKI-HKBQPEDESA-N 0 1 532.732 8.600 1 0 KKAFMN COc1cc(OC)cc(-c2cc3cnc(NCCCCCN4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000014945337 561743033 /nfs/dbraw/zinc/74/30/33/561743033.db2.gz PGLZJHICUYCCJE-UHFFFAOYSA-N 0 1 550.704 5.148 1 0 KKAFMN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCCO2)c1Cl ZINC000014963137 561748771 /nfs/dbraw/zinc/74/87/71/561748771.db2.gz PQEQQMLZYPTIEQ-UHFFFAOYSA-N 0 1 582.897 5.825 1 0 KKAFMN Cc1cccc(C)c1OC(=O)N(c1ccc(-c2ccccc2)cc1)c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000014965431 561749613 /nfs/dbraw/zinc/74/96/13/561749613.db2.gz DXMWOOBCASSUSW-UHFFFAOYSA-N 0 1 584.724 7.593 1 0 KKAFMN COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)cc3)cc2[nH]1 ZINC000014965500 561749620 /nfs/dbraw/zinc/74/96/20/561749620.db2.gz DQHFKDYMNMRFQA-UHFFFAOYSA-N 0 1 517.489 6.789 1 0 KKAFMN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)cc1 ZINC000014965410 561749623 /nfs/dbraw/zinc/74/96/23/561749623.db2.gz HLSZVIJXLSHTNC-UHFFFAOYSA-N 0 1 538.652 5.935 1 0 KKAFMN COC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c3)cc2[nH]1 ZINC000014965527 561749674 /nfs/dbraw/zinc/74/96/74/561749674.db2.gz LQCMQMYFSPQXKA-UHFFFAOYSA-N 0 1 503.412 5.757 1 0 KKAFMN O=C(Nc1ccc(Oc2ccc3nc(NC(=O)c4ccccc4)[nH]c3c2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000014965588 561749808 /nfs/dbraw/zinc/74/98/08/561749808.db2.gz BUBCSTHPMRUDOR-UHFFFAOYSA-N 0 1 549.484 6.831 1 0 KKAFMN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C ZINC000017544919 561755652 /nfs/dbraw/zinc/75/56/52/561755652.db2.gz UFEAGCIMDXQMSV-DEOSSOPVSA-N 0 1 605.736 5.064 3 0 KKAFMN O[C@H](CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019365465 561758302 /nfs/dbraw/zinc/75/83/02/561758302.db2.gz DEEUPPNPQSCODX-HHHXNRCGSA-N 0 1 509.488 5.296 1 0 KKAFMN O=S(=O)(c1cccc2cccnc21)N1Cc2ccccc2N(Cc2cnc[nH]2)[C@H](CCc2ccccc2)C1 ZINC000025983319 561764017 /nfs/dbraw/zinc/76/40/17/561764017.db2.gz ZIZPPVVMLFRSCK-HHHXNRCGSA-N 0 1 523.662 5.170 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)NCc1ccccc1 ZINC000026172882 561770288 /nfs/dbraw/zinc/77/02/88/561770288.db2.gz JANCESINOVSQRO-LVCCDNIOSA-N 0 1 704.872 5.083 1 0 KKAFMN Cc1ccc(S(=O)(=O)NCCCCN2CC[C@@H]3[C@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026189290 561773186 /nfs/dbraw/zinc/77/31/86/561773186.db2.gz LVISBZKPLIJIAQ-IXCJQBJRSA-N 0 1 511.638 5.342 1 0 KKAFMN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C1CCCCC1 ZINC000026382893 561783651 /nfs/dbraw/zinc/78/36/51/561783651.db2.gz NNBHDRJEVSYTPI-WSZLSEGOSA-N 0 1 611.835 6.436 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 ZINC000026384753 561784122 /nfs/dbraw/zinc/78/41/22/561784122.db2.gz AQTWXHKJEFVDRR-UHFFFAOYSA-N 0 1 676.782 6.176 1 0 KKAFMN NC(N)c1ccc([C@H](NC(=O)c2ccccc2Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390795 561785828 /nfs/dbraw/zinc/78/58/28/561785828.db2.gz HGGWYECIIAISPG-MGBGTMOVSA-N 0 1 579.593 7.175 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cccc67)CC5)CC4)OCCO3)cc2)cc1 ZINC000026394331 561786534 /nfs/dbraw/zinc/78/65/34/561786534.db2.gz VWBZXOUIQRZOHZ-UHFFFAOYSA-N 0 1 658.792 6.037 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(Cl)ccc76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026398507 561787611 /nfs/dbraw/zinc/78/76/11/561787611.db2.gz DRHJKWSLTIAGQI-UHFFFAOYSA-N 0 1 675.247 6.551 1 0 KKAFMN COc1cc2c(C)c(-c3cc(C)c(O)c(C)c3)n3c2c(c1)O[C@H](CCN1CCN(c2cc(C)ccn2)CC1)C3 ZINC000026403367 561789088 /nfs/dbraw/zinc/78/90/88/561789088.db2.gz DICOBUHJULWHPR-RUZDIDTESA-N 0 1 526.681 5.624 1 0 KKAFMN Cc1coc2c1c1c(cc2O)N(C(=O)c2cc3cc(NC(=O)c4cc5ccccc5[nH]4)ccc3[nH]2)CC1(C)C ZINC000026404301 561789359 /nfs/dbraw/zinc/78/93/59/561789359.db2.gz GFBPMDQOUYPOKW-UHFFFAOYSA-N 0 1 518.573 6.600 1 0 KKAFMN CN(C)c1ccc(-c2nc(-c3ccc(C=CCOCc4ccccc4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026576570 561800440 /nfs/dbraw/zinc/80/04/40/561800440.db2.gz KPRQOGSQPDBPAP-DHZHZOJOSA-N 0 1 528.700 7.773 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccsc1 ZINC000026578934 561803876 /nfs/dbraw/zinc/80/38/76/561803876.db2.gz DFFXDKRXIFQUQA-VLAOEWOHSA-N 0 1 597.655 6.004 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 ZINC000026579664 561805095 /nfs/dbraw/zinc/80/50/95/561805095.db2.gz QCBJDXAWTKFZMK-HHSLBVOYSA-N 0 1 626.071 6.596 1 0 KKAFMN O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCCc1ccccc1 ZINC000026819208 561820856 /nfs/dbraw/zinc/82/08/56/561820856.db2.gz JOMJUWAAYRJJBC-DHUJRADRSA-N 0 1 645.760 5.214 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)N(C(=O)C[C@@H](O)C(=O)[O-])C3=O)cc1)O2 ZINC000026979424 561831189 /nfs/dbraw/zinc/83/11/89/561831189.db2.gz DISHVVHOELSQLB-IPYCWMSRSA-N 0 1 730.880 5.787 1 0 KKAFMN C/C=C\C(C)(C)C[C@H]1[C@H](C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)C[N@@H+]1CC(=O)N(CCCC)CCCC ZINC000026981806 561831378 /nfs/dbraw/zinc/83/13/78/561831378.db2.gz GRLXMEBTWXGKTK-XNAUMBEWSA-N 0 1 500.680 5.305 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CCCCc1ccccc1 ZINC000026985083 561831840 /nfs/dbraw/zinc/83/18/40/561831840.db2.gz WXNVPUAISBDYQC-WHODAWOQSA-N 0 1 605.845 5.908 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CCCCc1ccccc1 ZINC000026985083 561831842 /nfs/dbraw/zinc/83/18/42/561831842.db2.gz WXNVPUAISBDYQC-WHODAWOQSA-N 0 1 605.845 5.908 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000026992434 561832614 /nfs/dbraw/zinc/83/26/14/561832614.db2.gz VDXVPCVHAVELKE-UKOABYEESA-N 0 1 692.923 5.933 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000026992434 561832616 /nfs/dbraw/zinc/83/26/16/561832616.db2.gz VDXVPCVHAVELKE-UKOABYEESA-N 0 1 692.923 5.933 1 0 KKAFMN CC[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995061 561833064 /nfs/dbraw/zinc/83/30/64/561833064.db2.gz HWLKYGTXYNWEPH-GOJCVTOHSA-N 0 1 673.814 6.165 1 0 KKAFMN CCC[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995041 561833096 /nfs/dbraw/zinc/83/30/96/561833096.db2.gz HOBCNABKXVPKMF-LFGICVIVSA-N 0 1 687.841 6.555 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(-c2ccccc2)cc1 ZINC000026997932 561833527 /nfs/dbraw/zinc/83/35/27/561833527.db2.gz RARYRWTWIMZZDM-GZXGWUJQSA-N 0 1 685.956 7.096 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(-c2ccccc2)cc1 ZINC000026997932 561833528 /nfs/dbraw/zinc/83/35/28/561833528.db2.gz RARYRWTWIMZZDM-GZXGWUJQSA-N 0 1 685.956 7.096 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026998119 561833694 /nfs/dbraw/zinc/83/36/94/561833694.db2.gz SJZGJLYNRZRTHV-JTZWTTIBSA-N 0 1 693.914 6.136 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026998119 561833696 /nfs/dbraw/zinc/83/36/96/561833696.db2.gz SJZGJLYNRZRTHV-JTZWTTIBSA-N 0 1 693.914 6.136 1 0 KKAFMN CCc1ccccc1[C@@H](NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1C ZINC000027196023 561844217 /nfs/dbraw/zinc/84/42/17/561844217.db2.gz VRQCDTCXZAZNSU-QYSAAILDSA-N 0 1 606.719 6.042 1 0 KKAFMN CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000027099317 561838421 /nfs/dbraw/zinc/83/84/21/561838421.db2.gz CYCBXKJGMMXKHS-UHFFFAOYSA-N 0 1 568.649 5.210 1 0 KKAFMN CCc1ccccc1C(NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1CC ZINC000027196988 561844537 /nfs/dbraw/zinc/84/45/37/561844537.db2.gz OTMGLEOGWQJHIQ-WSQCMGDHSA-N 0 1 620.746 6.296 1 0 KKAFMN CC(C)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027189706 561843275 /nfs/dbraw/zinc/84/32/75/561843275.db2.gz GSYWKUSBTVKLIY-UHFFFAOYSA-N 0 1 636.768 7.660 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000027194342 561844032 /nfs/dbraw/zinc/84/40/32/561844032.db2.gz IJWIKFGUGIKEKW-FUKIBTTHSA-N 0 1 558.675 6.151 1 0 KKAFMN COCCOc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)NC(c2ccccc2C)c2ccccc2C)cc1 ZINC000027198948 561844847 /nfs/dbraw/zinc/84/48/47/561844847.db2.gz MAYFJXPGRYHMPF-WSQCMGDHSA-N 0 1 636.745 5.804 1 0 KKAFMN CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)C(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000027407449 561855783 /nfs/dbraw/zinc/85/57/83/561855783.db2.gz VDKGSTLZQQFJLL-UHFFFAOYSA-N 0 1 623.729 5.796 1 0 KKAFMN C[C@@H](OC[C@H](c1ccccc1)[NH+]1CCN(CCOCC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027441068 561860688 /nfs/dbraw/zinc/86/06/88/561860688.db2.gz VONJODYKTRPIQC-WZONZLPQSA-N 0 1 548.524 5.262 1 0 KKAFMN O[C@@H](COc1cccc2c1ccnc2Sc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027518655 561862498 /nfs/dbraw/zinc/86/24/98/561862498.db2.gz CHVBRBCMRRHUFT-GDLZYMKVSA-N 0 1 561.751 6.533 1 0 KKAFMN S=C(NCCCc1cnc[nH]1)NCCCN(Cc1cccc2ccccc21)c1ccc(Br)cn1 ZINC000027525513 561865974 /nfs/dbraw/zinc/86/59/74/561865974.db2.gz DSZPBHJWOKFYBU-UHFFFAOYSA-N 0 1 537.531 5.214 1 0 KKAFMN O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000027553526 561868577 /nfs/dbraw/zinc/86/85/77/561868577.db2.gz GUKJTWYUEMCIOS-JGCGQSQUSA-N 0 1 564.726 5.639 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007103 561895806 /nfs/dbraw/zinc/89/58/06/561895806.db2.gz KXMSNVZBMZCZNF-CRJIABDTSA-N 0 1 652.855 7.820 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007103 561895808 /nfs/dbraw/zinc/89/58/08/561895808.db2.gz KXMSNVZBMZCZNF-CRJIABDTSA-N 0 1 652.855 7.820 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028019743 561898079 /nfs/dbraw/zinc/89/80/79/561898079.db2.gz VWYAKQIBNSPPEC-GFJCEQABSA-N 0 1 644.876 7.350 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028019743 561898082 /nfs/dbraw/zinc/89/80/82/561898082.db2.gz VWYAKQIBNSPPEC-GFJCEQABSA-N 0 1 644.876 7.350 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028021454 561898479 /nfs/dbraw/zinc/89/84/79/561898479.db2.gz FSHOMAHJUYDWJR-PTTLIBFYSA-N 0 1 616.866 7.325 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028021454 561898482 /nfs/dbraw/zinc/89/84/82/561898482.db2.gz FSHOMAHJUYDWJR-PTTLIBFYSA-N 0 1 616.866 7.325 1 0 KKAFMN CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022013 561898700 /nfs/dbraw/zinc/89/87/00/561898700.db2.gz JAZDXLMRRUTSBU-GFJCEQABSA-N 0 1 658.903 7.739 1 0 KKAFMN CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022013 561898701 /nfs/dbraw/zinc/89/87/01/561898701.db2.gz JAZDXLMRRUTSBU-GFJCEQABSA-N 0 1 658.903 7.739 1 0 KKAFMN CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028023067 561898963 /nfs/dbraw/zinc/89/89/63/561898963.db2.gz VDRHHLLGNIGFLU-NNYJQHGCSA-N 0 1 562.730 5.343 1 0 KKAFMN CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028023067 561898964 /nfs/dbraw/zinc/89/89/64/561898964.db2.gz VDRHHLLGNIGFLU-NNYJQHGCSA-N 0 1 562.730 5.343 1 0 KKAFMN CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086970 561899204 /nfs/dbraw/zinc/89/92/04/561899204.db2.gz PQERIGBWDFXHHY-MRPJDYLLSA-N 0 1 564.721 5.776 1 0 KKAFMN CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086970 561899205 /nfs/dbraw/zinc/89/92/05/561899205.db2.gz PQERIGBWDFXHHY-MRPJDYLLSA-N 0 1 564.721 5.776 1 0 KKAFMN CCOc1cccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028092382 561900102 /nfs/dbraw/zinc/90/01/02/561900102.db2.gz RGIPYCSQKBJEOA-KJCODNFBSA-N 0 1 604.811 6.426 1 0 KKAFMN CCOc1cccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028092382 561900103 /nfs/dbraw/zinc/90/01/03/561900103.db2.gz RGIPYCSQKBJEOA-KJCODNFBSA-N 0 1 604.811 6.426 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4cccc(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028093856 561900355 /nfs/dbraw/zinc/90/03/55/561900355.db2.gz JPIGMEITTGHWBF-FZKFUBHISA-N 0 1 590.784 6.036 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4cccc(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028093856 561900357 /nfs/dbraw/zinc/90/03/57/561900357.db2.gz JPIGMEITTGHWBF-FZKFUBHISA-N 0 1 590.784 6.036 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028233332 561909356 /nfs/dbraw/zinc/90/93/56/561909356.db2.gz HNGKQKBNYUXDJL-MAJWKWKESA-N 0 1 588.761 5.590 1 0 KKAFMN COc1cccc(-n2c(=O)c3c(CN(C)Cc4ccccc4)c(-c4ccc(NC(=O)C(C)C)cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028234290 561909507 /nfs/dbraw/zinc/90/95/07/561909507.db2.gz NCNKFVKUGBSINN-UHFFFAOYSA-N 0 1 694.804 7.443 1 0 KKAFMN COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(C2CCCCC2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238426 561910076 /nfs/dbraw/zinc/91/00/76/561910076.db2.gz QBBCUXWNGPGVPA-UHFFFAOYSA-N 0 1 615.746 7.364 1 0 KKAFMN COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000028389558 561921944 /nfs/dbraw/zinc/92/19/44/561921944.db2.gz FSFFCZITRFQQNJ-UHFFFAOYSA-N 0 1 548.687 5.162 1 0 KKAFMN CC[C@@H](C(=O)Nc1onc(C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1 ZINC000028569408 561937982 /nfs/dbraw/zinc/93/79/82/561937982.db2.gz XBRLJCMSNZNYPV-GOSISDBHSA-N 0 1 514.466 6.910 1 0 KKAFMN C[C@@H]1CN([C@H](c2ccc3c(c2)CN(C(=O)c2cccc(C(=O)[O-])c2)C3)c2cccc(O)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000028570206 561938676 /nfs/dbraw/zinc/93/86/76/561938676.db2.gz FZFSEHRCJNQRIE-ISVMRZDUSA-N 0 1 575.709 5.931 1 0 KKAFMN C[C@@H]1C[N@H+]([C@H](c2ccc3c(c2)CN(C(=O)c2cccc(C(=O)[O-])c2)C3)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570206 561938678 /nfs/dbraw/zinc/93/86/78/561938678.db2.gz FZFSEHRCJNQRIE-ISVMRZDUSA-N 0 1 575.709 5.931 1 0 KKAFMN C[C@@H]1C[N@@H+]([C@H](c2ccc3c(c2)CN(C(=O)c2cccc(C(=O)[O-])c2)C3)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570206 561938680 /nfs/dbraw/zinc/93/86/80/561938680.db2.gz FZFSEHRCJNQRIE-ISVMRZDUSA-N 0 1 575.709 5.931 1 0 KKAFMN COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC000028604035 561940433 /nfs/dbraw/zinc/94/04/33/561940433.db2.gz HJZUUBMOBXGRHG-UHFFFAOYSA-N 0 1 502.478 5.005 1 0 KKAFMN CC(=O)Nc1cccc(-c2cc(CN3[C@@H]4CC[C@H]3CN(Cc3ccnc(-c5cccc(NC(C)=O)c5)c3)C4)ccn2)c1 ZINC000028707573 561950077 /nfs/dbraw/zinc/95/00/77/561950077.db2.gz HFVHDYXALWEPRI-MEKGRNQZSA-N 0 1 560.702 5.576 1 0 KKAFMN Cc1ccc2nc(-c3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)cn2c1 ZINC000028711425 561951915 /nfs/dbraw/zinc/95/19/15/561951915.db2.gz YYWNRQZCPIMCAK-UHFFFAOYSA-N 0 1 509.481 6.598 1 0 KKAFMN Cc1c(CN(C)C[C@H](O)c2c[nH]c3ccccc32)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822508 561967101 /nfs/dbraw/zinc/96/71/01/561967101.db2.gz AUXILGDQTCBBEA-DEOSSOPVSA-N 0 1 549.096 5.139 1 0 KKAFMN Cc1c(CN(C)C[C@@H](O)c2c[nH]c3ccccc32)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822507 561967185 /nfs/dbraw/zinc/96/71/85/561967185.db2.gz AUXILGDQTCBBEA-XMMPIXPASA-N 0 1 549.096 5.139 1 0 KKAFMN COC(=O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000028824802 561970004 /nfs/dbraw/zinc/97/00/04/561970004.db2.gz WPVHSRPUAPKWSP-HDJDAXJMSA-N 0 1 539.598 5.258 1 0 KKAFMN O=C(Nc1ccc(-c2nc3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)ncc3[nH]2)cc1)c1ccc(Cl)cc1 ZINC000028866681 561973526 /nfs/dbraw/zinc/97/35/26/561973526.db2.gz HCQLCIUBUYTRTD-UHFFFAOYSA-N 0 1 526.040 6.229 1 0 KKAFMN CC(=O)OC1CCC(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CCC(OC(C)=O)CC5)cc4[nH]3)cc2)CC1 ZINC000028866673 561973534 /nfs/dbraw/zinc/97/35/34/561973534.db2.gz GCDTZXJCBPANOG-UHFFFAOYSA-N 0 1 560.651 5.351 1 0 KKAFMN O=C(NCCCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 ZINC000028869772 561973814 /nfs/dbraw/zinc/97/38/14/561973814.db2.gz PKGJBHXJYDGBET-LJAQVGFWSA-N 0 1 518.126 6.472 1 0 KKAFMN C[C@@H]1CN(C(=O)OC2([C@@H]3CCC[C@@H](c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H](C)N1 ZINC000028879560 561976488 /nfs/dbraw/zinc/97/64/88/561976488.db2.gz UTHMUINLECVICV-JHFSOIRNSA-N 0 1 550.096 5.115 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000028949115 561980449 /nfs/dbraw/zinc/98/04/49/561980449.db2.gz ATLVKBLXBQNFLD-UHFFFAOYSA-N 0 1 562.666 6.937 1 0 KKAFMN O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c-3n[nH]c2-c2cc3ccccc3o2)C(=O)O1)c1cc2ccccc2o1 ZINC000028949330 561980476 /nfs/dbraw/zinc/98/04/76/561980476.db2.gz AAZOXZJUFDIZHR-QHCPKHFHSA-N 0 1 558.594 6.480 1 0 KKAFMN CN(C(=O)Cn1c2cc(-c3nc(=O)o[n-]3)ccc2c(C2CCCCC2)c1-c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000028949698 561980709 /nfs/dbraw/zinc/98/07/09/561980709.db2.gz DSRLBJZTBBAOST-HSZRJFAPSA-N 0 1 513.642 5.274 1 0 KKAFMN OCc1cnc(N2CCN(c3nc(-c4ccc(C(F)(F)F)cc4)c(-c4ccccc4)[nH]3)CC2)c(Cl)c1 ZINC000028953900 561982602 /nfs/dbraw/zinc/98/26/02/561982602.db2.gz AMCYXPADENABGR-UHFFFAOYSA-N 0 1 513.951 5.630 1 0 KKAFMN Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(CCN4CCCC4)C(C)C)cc3)nc12 ZINC000028957661 561983242 /nfs/dbraw/zinc/98/32/42/561983242.db2.gz KDTFQAJYJIGSFS-UHFFFAOYSA-N 0 1 581.142 5.598 1 0 KKAFMN CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cc1 ZINC000028957655 561983268 /nfs/dbraw/zinc/98/32/68/561983268.db2.gz BGKZQFXBRTXGLE-UHFFFAOYSA-N 0 1 567.115 5.209 1 0 KKAFMN NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@H]4CCCCN4Cc4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000028960889 561984119 /nfs/dbraw/zinc/98/41/19/561984119.db2.gz XOWKMVCDZXOXHR-OAQYLSRUSA-N 0 1 523.464 6.459 1 0 KKAFMN O=C(N[C@H]1CCc2ccc(CCN3CCN(c4nsc5ccccc54)CC3)cc21)c1ccc(F)cc1 ZINC000029038630 561989143 /nfs/dbraw/zinc/98/91/43/561989143.db2.gz ZBUMCITULAAXBQ-SANMLTNESA-N 0 1 500.643 5.217 1 0 KKAFMN O=C(N[C@H]1CCc2ccc(CCN3CCN(c4nsc5ccccc54)CC3)cc21)c1ccc(Cl)cc1 ZINC000029038625 561989180 /nfs/dbraw/zinc/98/91/80/561989180.db2.gz PHDDUIXSXSRRQU-SANMLTNESA-N 0 1 517.098 5.732 1 0 KKAFMN O=C(N[C@@H]1CCc2ccc(CCN3CCN(c4nsc5ccccc54)CC3)cc21)c1ccc(Cl)cc1 ZINC000029038623 561989212 /nfs/dbraw/zinc/98/92/12/561989212.db2.gz PHDDUIXSXSRRQU-AREMUKBSSA-N 0 1 517.098 5.732 1 0 KKAFMN O=C(Nc1cccc(-c2[nH]c(C3CC3)nc2-c2ccnc(NCCN3CCNC3=O)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000029042641 561991600 /nfs/dbraw/zinc/99/16/00/561991600.db2.gz ZTZSKHGZPQXQKE-UHFFFAOYSA-N 0 1 626.043 6.164 1 0 KKAFMN NC(=O)c1cccc(Nc2nccc(-c3nc(C(F)(F)F)[nH]c3-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)n2)c1 ZINC000029043643 561992053 /nfs/dbraw/zinc/99/20/53/561992053.db2.gz ZDWXGFSUCOUHQJ-UHFFFAOYSA-N 0 1 591.981 6.230 1 0 KKAFMN CCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126760 561998924 /nfs/dbraw/zinc/99/89/24/561998924.db2.gz VURVNYUMSCKMDC-UHFFFAOYSA-N 0 1 512.683 5.625 1 0 KKAFMN Cc1cc(-c2nc3c(ccc4c3CCN(CCCSc3nnc(-c5cccc6nc(C)ccc65)n3C)CC4)o2)n(C)n1 ZINC000029126916 561999163 /nfs/dbraw/zinc/99/91/63/561999163.db2.gz NZPLLWYDJFVQEH-UHFFFAOYSA-N 0 1 578.746 5.772 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCC[C@H](C)N3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029126990 561999178 /nfs/dbraw/zinc/99/91/78/561999178.db2.gz ILAPINSYTQOSTH-SFHVURJKSA-N 0 1 580.680 6.779 1 0 KKAFMN CCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3 ZINC000029127230 561999647 /nfs/dbraw/zinc/99/96/47/561999647.db2.gz QRWDBCPLADXSGV-UHFFFAOYSA-N 0 1 515.605 5.788 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4nc5cc(C(F)(F)F)ccn5c4CC3)n2C)n1 ZINC000029127317 561999847 /nfs/dbraw/zinc/99/98/47/561999847.db2.gz QWMBVXDLQBRGEQ-UHFFFAOYSA-N 0 1 551.642 5.588 1 0 KKAFMN CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(Cl)cccc4C(F)(F)F)[nH]c3-c3ccccc3)cc21 ZINC000029131206 562002873 /nfs/dbraw/zinc/00/28/73/562002873.db2.gz PADVXJAMNQLSCA-UHFFFAOYSA-N 0 1 560.001 6.601 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 ZINC000029334325 562014109 /nfs/dbraw/zinc/01/41/09/562014109.db2.gz QJYUYVCROMLJRH-NDEPHWFRSA-N 0 1 576.625 5.348 1 0 KKAFMN 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1 0 KKAFMN O=c1ccc(-n2ccc3ccccc32)nn1CCCCCCCN1CCN(c2ccccc2Cl)CC1 ZINC000040414323 562075599 /nfs/dbraw/zinc/07/55/99/562075599.db2.gz DMCIQQQVSKCJQJ-UHFFFAOYSA-N 0 1 504.078 5.613 1 0 KKAFMN C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)C1CCCCC1 ZINC000085595267 560064077 /nfs/dbraw/zinc/06/40/77/560064077.db2.gz MCMMNLRSZAHMMD-IGBNUOBPSA-N 0 1 534.605 5.515 1 0 biogenic,in-vitro KKAFMN C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)C1CCCCC1 ZINC000085595267 560064079 /nfs/dbraw/zinc/06/40/79/560064079.db2.gz MCMMNLRSZAHMMD-IGBNUOBPSA-N 0 1 534.605 5.515 1 0 biogenic,in-vitro KKAFMN COc1cc(CCC(=O)C=C(O)CCCCCCCCCO)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631563 560067832 /nfs/dbraw/zinc/06/78/32/560067832.db2.gz HOPONRWKIMUZDJ-UBOZLPQGSA-N 0 1 592.757 5.049 1 0 biogenic,in-vitro KKAFMN COc1cc(CCC(=O)C=C(O)CCC[C@H](O)CCc2cccc(O)c2-c2ccc3cc(O)ccc3c2)ccc1O ZINC000085627072 560069017 /nfs/dbraw/zinc/06/90/17/560069017.db2.gz CPUVJXRPMBJDLD-MHZLTWQESA-N 0 1 556.655 6.257 1 0 biogenic,in-vitro KKAFMN O=C([O-])CCC[N@H+]1CC[C@H]2c3ccccc3N(Cc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)[C@H]2C1 ZINC000043023421 562645032 /nfs/dbraw/zinc/64/50/32/562645032.db2.gz UPIUQXNSJMLQJB-TXXKOEKQSA-N 0 1 538.091 7.102 1 0 KKAFMN CC1(C)CCC[N@@H+](CCCOc2ccc(C3CCN(C(=O)c4ccc(CCC(=O)[O-])c5ccccc45)CC3)cc2)C1 ZINC000043170334 562646544 /nfs/dbraw/zinc/64/65/44/562646544.db2.gz UZFUMFWJEGINFP-UHFFFAOYSA-N 0 1 556.747 6.768 1 0 KKAFMN Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(N3CCC(c4ccc5c([nH+]4)NCCC5)CC3)cc2)C(=O)[O-])c(C)c1 ZINC000043171692 562646555 /nfs/dbraw/zinc/64/65/55/562646555.db2.gz RWENQEHCTSXFGI-NDEPHWFRSA-N 0 1 526.681 5.175 1 0 KKAFMN CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5nc(cc6[nH]c2c(C)c6CC)c(C)c5CC)c(C)c4CC)[C@H](C)[C@@]31CC ZINC000043443369 562648570 /nfs/dbraw/zinc/64/85/70/562648570.db2.gz RISACXCZQWMDFI-YUXVDHEWSA-N 0 1 576.785 8.616 1 0 KKAFMN CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2[C@]1(CC)[C@H]6C)c(CC)c5C)c(CC)c4C)c(CC)c3C ZINC000043443369 562648571 /nfs/dbraw/zinc/64/85/71/562648571.db2.gz RISACXCZQWMDFI-YUXVDHEWSA-N 0 1 576.785 8.616 1 0 KKAFMN CC[C@@H](C)[C@H](NCc1ccccc1F)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000043532537 562649413 /nfs/dbraw/zinc/64/94/13/562649413.db2.gz NWEHAMQGCHTUHB-UKPGIYTDSA-N 0 1 624.550 8.310 1 0 KKAFMN C[C@H]1CN(CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043589889 562650071 /nfs/dbraw/zinc/65/00/71/562650071.db2.gz CKYOUSJBAOMLEO-DNKZPPIMSA-N 0 1 582.113 5.455 1 0 KKAFMN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(CCOc4cccc5[nH]c(C(F)(F)F)nc54)CC3)[nH]2)cc1 ZINC000044306119 562653619 /nfs/dbraw/zinc/65/36/19/562653619.db2.gz UBUCIIFBJIRGAF-UHFFFAOYSA-N 0 1 562.640 6.624 1 0 KKAFMN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCCN4Cc4ccc(C(C)(C)C)cc4)ccc3CC[C@H]2O)cc1 ZINC000044307921 562654148 /nfs/dbraw/zinc/65/41/48/562654148.db2.gz YAVNTIXQCGCZAO-XWHIBYANSA-N 0 1 589.802 5.476 1 0 KKAFMN CS(=O)(=O)CCNCc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)[nH]1 ZINC000044430633 562657609 /nfs/dbraw/zinc/65/76/09/562657609.db2.gz ZOGNMJNQBLFBPT-UHFFFAOYSA-N 0 1 586.114 5.936 1 0 KKAFMN CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)cn1 ZINC000045191939 562658618 /nfs/dbraw/zinc/65/86/18/562658618.db2.gz GTOVGMGBBQEIRI-UHFFFAOYSA-N 0 1 515.495 6.521 1 0 KKAFMN CC(=O)N[C@H](C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)C(C)C ZINC000045201464 562659061 /nfs/dbraw/zinc/65/90/61/562659061.db2.gz LSGSPXBFHRCRAN-QFIPXVFZSA-N 0 1 500.546 6.076 1 0 KKAFMN CC(C)(C[NH2+]CCOc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccnc(N)n2)[nH]1 ZINC000045210033 562659320 /nfs/dbraw/zinc/65/93/20/562659320.db2.gz JQNFDYJZQDXDQM-UHFFFAOYSA-N 0 1 513.429 5.075 1 0 KKAFMN CC(C)(C[NH2+]CCOc1ccc(Cl)cc1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045210033 562659321 /nfs/dbraw/zinc/65/93/21/562659321.db2.gz JQNFDYJZQDXDQM-UHFFFAOYSA-N 0 1 513.429 5.075 1 0 KKAFMN Cc1ccc(CNC(=O)/C=C\C(=O)N2CCCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045373263 562662290 /nfs/dbraw/zinc/66/22/90/562662290.db2.gz DJTKGWCOGVBRHI-SFYKUEKMSA-N 0 1 502.058 5.145 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000048307354 562663017 /nfs/dbraw/zinc/66/30/17/562663017.db2.gz BUBOVRBSDDJFIC-IZZDOVSWSA-N 0 1 557.444 6.162 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)cc(-c2ccccc2)n1CC1CCCCC1 ZINC000049053823 562663858 /nfs/dbraw/zinc/66/38/58/562663858.db2.gz IXUUTRACMVUZJF-UHFFFAOYSA-N 0 1 526.769 6.603 1 0 KKAFMN CS(=O)(=O)CCNCc1cccc(-c2cc3c(cn2)ncnc3Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000049605008 562665233 /nfs/dbraw/zinc/66/52/33/562665233.db2.gz IJBQZWLALOWFAT-UHFFFAOYSA-N 0 1 539.661 5.149 1 0 KKAFMN CCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)cc2)cc1 ZINC000049605125 562665381 /nfs/dbraw/zinc/66/53/81/562665381.db2.gz NPJOOKVASWBVIJ-UHFFFAOYSA-N 0 1 544.533 7.736 1 0 KKAFMN O=C(C[C@H]1NC(=O)c2ccccc21)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000049605199 562665491 /nfs/dbraw/zinc/66/54/91/562665491.db2.gz NIIPDZXIMHRATF-RUZDIDTESA-N 0 1 526.518 6.729 1 0 KKAFMN O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000049605198 562665519 /nfs/dbraw/zinc/66/55/19/562665519.db2.gz NIIPDZXIMHRATF-VWLOTQADSA-N 0 1 526.518 6.729 1 0 KKAFMN CCCC[NH+]1CCN(c2cc([N-]S(=O)(=O)c3ccc(C(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccc2OC)CC1 ZINC000049626160 562667036 /nfs/dbraw/zinc/66/70/36/562667036.db2.gz QJTSNQHAVGQIOH-UHFFFAOYSA-N 0 1 590.668 5.689 1 0 KKAFMN CC(=O)Nc1cccc(CN(Cc2ccc(-c3ccc(CNCc4cccnc4)cn3)cc2)C(=O)Cc2cccnc2)c1 ZINC000049626227 562667067 /nfs/dbraw/zinc/66/70/67/562667067.db2.gz LIYMFZLZKUOJTR-UHFFFAOYSA-N 0 1 570.697 5.558 1 0 KKAFMN CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(O[C@@H]3CCN(C)C3)c(Cl)c2)C1 ZINC000049639100 562667580 /nfs/dbraw/zinc/66/75/80/562667580.db2.gz OGXOEHAMALUPAX-GSLIJJQTSA-N 0 1 583.198 5.173 1 0 KKAFMN COc1ccc([C@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049678229 562668450 /nfs/dbraw/zinc/66/84/50/562668450.db2.gz JOTYMLKDQAFRFK-IRPSRAIASA-N 0 1 688.872 5.745 1 0 KKAFMN COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679066 562668734 /nfs/dbraw/zinc/66/87/34/562668734.db2.gz WCRLPADNCYTVRC-AYWVHJORSA-N 0 1 651.764 5.431 1 0 KKAFMN COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1OCC=C(C)C ZINC000049694816 562669781 /nfs/dbraw/zinc/66/97/81/562669781.db2.gz IFEIUFUMDATZMQ-NHZFLZHXSA-N 0 1 616.663 6.443 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-n5cnnn5)cc4nc3-c3ccccc3)cc2)CC1 ZINC000049709921 562671484 /nfs/dbraw/zinc/67/14/84/562671484.db2.gz RSLCNNBJIWBAGB-UHFFFAOYSA-N 0 1 579.668 5.420 1 0 KKAFMN CCCCCC(=O)N1CCO[C@@](CCN2CCc3c(c4ccccc4n3C)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049710510 562671693 /nfs/dbraw/zinc/67/16/93/562671693.db2.gz VCZBPJOANUSAGW-SSEXGKCCSA-N 0 1 542.551 6.568 1 0 KKAFMN O=C(NCc1ccc(Cl)c(Cl)c1)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049722574 562672243 /nfs/dbraw/zinc/67/22/43/562672243.db2.gz UYHRAVUARCMIMP-UHFFFAOYSA-N 0 1 607.413 6.412 1 0 KKAFMN O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049744826 562673564 /nfs/dbraw/zinc/67/35/64/562673564.db2.gz GFNOQLBVAJEFJU-JXMROGBWSA-N 0 1 557.444 6.162 1 0 KKAFMN Cn1c2ccccc2c2c1CCN(CC[C@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO1)C2 ZINC000049744819 562673553 /nfs/dbraw/zinc/67/35/53/562673553.db2.gz IQXWGZKFNGUKSB-WJOKGBTCSA-N 0 1 548.514 6.301 1 0 KKAFMN O=C(NCCCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000049744944 562673596 /nfs/dbraw/zinc/67/35/96/562673596.db2.gz CZYSQYPQMACORO-UHFFFAOYSA-N 0 1 583.516 5.349 1 0 KKAFMN CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)[C@@H](C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000049746826 562674646 /nfs/dbraw/zinc/67/46/46/562674646.db2.gz LLMOSORHDJFKHF-DMULZOQTSA-N 0 1 576.771 5.435 1 0 KKAFMN CN1CCN(Cc2ccc(-c3cc4c(ncnc4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)s3)[nH]2)CC1 ZINC000049756124 562674845 /nfs/dbraw/zinc/67/48/45/562674845.db2.gz JQIJYYCWQQTDIU-UHFFFAOYSA-N 0 1 563.102 6.549 1 0 KKAFMN CCCCCc1ccc(CCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)N(C)[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])Cc2ccccc2)cc1 ZINC000049774745 562678760 /nfs/dbraw/zinc/67/87/60/562678760.db2.gz PXQPPFRLPITGHC-PDHQKIGBSA-N 0 1 651.852 5.158 1 0 KKAFMN COc1cc2c(cc1OCCCCCCN1CCN(C(=O)c3ccccc3NCc3ccc4ccccc4c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049775706 562679192 /nfs/dbraw/zinc/67/91/92/562679192.db2.gz DLMHGDJYRFBFRI-XIFFEERXSA-N 0 1 673.858 7.178 1 0 KKAFMN CN1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)NCC5CCCCC5)cc3)c4N)c2)CC1 ZINC000049775702 562679202 /nfs/dbraw/zinc/67/92/02/562679202.db2.gz WYYDKVUNYRLXHX-UHFFFAOYSA-N 0 1 538.700 5.099 1 0 KKAFMN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCN2CCN(C)CC2)ncn1 ZINC000049777799 562680579 /nfs/dbraw/zinc/68/05/79/562680579.db2.gz VKGKEHUDLZDBMP-UHFFFAOYSA-N 0 1 629.691 5.798 1 0 KKAFMN O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049780192 562681389 /nfs/dbraw/zinc/68/13/89/562681389.db2.gz ZUFUIYOZVFSEPX-WNOXWKSXSA-N 0 1 542.723 6.714 1 0 KKAFMN CN1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)NCC5CCCCC5)cc3)c4N)cc2)CC1 ZINC000049785521 562683997 /nfs/dbraw/zinc/68/39/97/562683997.db2.gz LVSWEGNPHRUXSW-UHFFFAOYSA-N 0 1 538.700 5.099 1 0 KKAFMN Cc1n[nH]c(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)cc32)c1C ZINC000049793626 562685000 /nfs/dbraw/zinc/68/50/00/562685000.db2.gz SXPIENJWEFLRFA-HSZRJFAPSA-N 0 1 555.893 7.748 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)N(C(=O)C[C@H](O)C(=O)[O-])C3=O)cc1)O2 ZINC000049807431 562686372 /nfs/dbraw/zinc/68/63/72/562686372.db2.gz BYNUYHFRYSQFMI-UMBCOSNCSA-N 0 1 728.864 6.216 1 0 KKAFMN CCCC[PH](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CN)cc1 ZINC000049808539 562686690 /nfs/dbraw/zinc/68/66/90/562686690.db2.gz KPVRCOONGRNIPT-GDLZYMKVSA-N 0 1 525.718 6.188 1 0 KKAFMN CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(Cc2cc(I)c(O)c(I)c2)c1=O ZINC000049853609 562689025 /nfs/dbraw/zinc/68/90/25/562689025.db2.gz QPTUOOBYAGSGMI-UHFFFAOYSA-N 0 1 692.339 6.210 1 0 KKAFMN CCN1C(N2CCCCC2)=[NH+]c2ccccc2[C@H]1CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000049867399 562689420 /nfs/dbraw/zinc/68/94/20/562689420.db2.gz PEIFDCMYVCGNKX-MUUNZHRXSA-N 0 1 563.699 5.183 1 0 in-vivo KKAFMN COc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000049908056 562693397 /nfs/dbraw/zinc/69/33/97/562693397.db2.gz HYOUMDZUCVBABI-UHFFFAOYSA-N 0 1 556.469 5.627 1 0 KKAFMN O=C(Nc1ccc(C(=O)Oc2cccc3ccccc32)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000049918133 562694483 /nfs/dbraw/zinc/69/44/83/562694483.db2.gz VOPIXGFAIRZWQB-NHZFLZHXSA-N 0 1 644.728 5.594 1 0 KKAFMN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000052987911 562696083 /nfs/dbraw/zinc/69/60/83/562696083.db2.gz IAJNZPZRAMWRRM-TUMTZTIRSA-N 0 1 546.649 6.518 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000053206627 562696472 /nfs/dbraw/zinc/69/64/72/562696472.db2.gz IFXXCDFBSLSCGP-UHFFFAOYSA-N 0 1 577.733 6.083 1 0 KKAFMN Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000053206562 562696487 /nfs/dbraw/zinc/69/64/87/562696487.db2.gz JIMJOFDKLFAAOU-UHFFFAOYSA-N 0 1 607.612 5.943 1 0 KKAFMN CCCCN1C(=O)[C@H](CCCC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053244086 562696844 /nfs/dbraw/zinc/69/68/44/562696844.db2.gz UAFMNOKGJKMIFS-HKBQPEDESA-N 0 1 545.768 6.691 1 0 KKAFMN CCCCN1C(=O)[C@H](CC2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053244105 562696881 /nfs/dbraw/zinc/69/68/81/562696881.db2.gz UXLNBKFAMFLHQY-NDEPHWFRSA-N 0 1 503.687 5.521 1 0 KKAFMN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(C)c1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000053275019 562697044 /nfs/dbraw/zinc/69/70/44/562697044.db2.gz AERKVHQMODYBFE-UHFFFAOYSA-N 0 1 603.649 6.112 1 0 KKAFMN C[NH+](C)Cc1nc2c([n-]1)nccc2Oc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c(F)c1 ZINC000058538419 562698829 /nfs/dbraw/zinc/69/88/29/562698829.db2.gz HAHVGUBMSYWFDN-UHFFFAOYSA-N 0 1 506.435 5.753 1 0 KKAFMN C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CCN(C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058563791 562699440 /nfs/dbraw/zinc/69/94/40/562699440.db2.gz ORZOCBRCPCCQDN-LJQANCHMSA-N 0 1 573.122 5.793 1 0 KKAFMN O=C1N(c2ccc(F)c(Cl)c2)[C@H](c2ccccn2)C12CCN(c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)CC2 ZINC000058603230 562700907 /nfs/dbraw/zinc/70/09/07/562700907.db2.gz XVGFCIHXNZUCGJ-JOCHJYFZSA-N 0 1 547.915 6.283 1 0 KKAFMN O=C([O-])c1ccc(Sc2ccc(C[NH+]3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1 ZINC000059635340 562702139 /nfs/dbraw/zinc/70/21/39/562702139.db2.gz BZKHTWAGPLWPPO-LJAQVGFWSA-N 0 1 572.731 5.553 1 0 KKAFMN Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000064417006 562705097 /nfs/dbraw/zinc/70/50/97/562705097.db2.gz IYYUOMFAAASGGM-UHFFFAOYSA-N 0 1 574.007 5.824 1 0 KKAFMN CCN1CC2=C(N=C3N(c4ccc(Cl)cc4)N=C(C(C)=O)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447508 562705397 /nfs/dbraw/zinc/70/53/97/562705397.db2.gz BWLFYVMGFWJXLQ-IACRLCCOSA-N 0 1 550.106 6.765 1 0 KKAFMN CCN1Cc2c(cc3nc4n(-c5ccccc5)nc(C(=O)OC)n4c(=O)c3c2-c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448347 562705492 /nfs/dbraw/zinc/70/54/92/562705492.db2.gz XCPIKKVLNVAPCV-ZXVVBBHZSA-N 0 1 595.703 6.480 1 0 KKAFMN O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccc1)C[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000064448540 562705561 /nfs/dbraw/zinc/70/55/61/562705561.db2.gz AVPLNVLKHWYKNZ-JGCGQSQUSA-N 0 1 604.216 5.342 1 0 KKAFMN CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064453992 562705695 /nfs/dbraw/zinc/70/56/95/562705695.db2.gz JCJSAFZMXVQVBR-PMACEKPBSA-N 0 1 534.574 5.173 1 0 in-vivo KKAFMN CN(CCCc1cnc[nH]1)C(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1 ZINC000064468956 562705808 /nfs/dbraw/zinc/70/58/08/562705808.db2.gz XEMYFRXQEQGYLO-UHFFFAOYSA-N 0 1 535.943 5.056 1 0 KKAFMN O=C1N(c2cccc(Cl)c2)[C@@H](c2ccccn2)C12CCN(c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)CC2 ZINC000064637932 562708960 /nfs/dbraw/zinc/70/89/60/562708960.db2.gz BPPDNWBUKUHLNZ-QFIPXVFZSA-N 0 1 529.925 6.144 1 0 KKAFMN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCCN2CCSCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066104215 562711660 /nfs/dbraw/zinc/71/16/60/562711660.db2.gz SQQKRSWGMFFDCR-IUUBXHLCSA-N 0 1 583.680 5.258 1 0 KKAFMN C[C@@H]1CN(CCC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000066258412 562714948 /nfs/dbraw/zinc/71/49/48/562714948.db2.gz IZTYWGVKCAZWKV-SZPZYZBQSA-N 0 1 597.741 5.004 1 0 KKAFMN Clc1ccc2nc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1 ZINC000066258290 562714978 /nfs/dbraw/zinc/71/49/78/562714978.db2.gz RKMDARYJOVFDAO-UHFFFAOYSA-N 0 1 515.802 7.099 1 0 KKAFMN Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(-c4ccccc4)nnc3[C@H](Cc3n[nH]c4ccccc43)C2=O)c1 ZINC000068207468 562716019 /nfs/dbraw/zinc/71/60/19/562716019.db2.gz ZJGPYSQTJSMQNL-BHYZAODMSA-N 0 1 649.799 6.724 1 0 KKAFMN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245723 562716089 /nfs/dbraw/zinc/71/60/89/562716089.db2.gz SEFCGYCHSOJILP-XMMPIXPASA-N 0 1 526.589 5.287 1 0 KKAFMN CCN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1 ZINC000068247983 562716218 /nfs/dbraw/zinc/71/62/18/562716218.db2.gz GOXMNRJCRDHRBQ-UHFFFAOYSA-N 0 1 620.729 5.146 1 0 in-vitro KKAFMN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@@H](Oc2cccc(Cl)n2)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000071318503 562718498 /nfs/dbraw/zinc/71/84/98/562718498.db2.gz GWAWCEXQGCBEJE-CLYVBNDRSA-N 0 1 626.006 5.881 1 0 KKAFMN COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCSC(=S)N1CCNCC1 ZINC000071340251 562719684 /nfs/dbraw/zinc/71/96/84/562719684.db2.gz FPRGKHJECKCTOB-UHFFFAOYSA-N 0 1 628.195 6.446 1 0 KKAFMN CN1CC(=Cc2cccc(Br)c2)C2=NC(=S)N[C@H](c3cccc(Br)c3)C2C1 ZINC000071340453 562719753 /nfs/dbraw/zinc/71/97/53/562719753.db2.gz SCXAFDGHPIMNIR-YCZZBHQNSA-N 0 1 505.279 5.014 1 0 KKAFMN CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072105068 562720664 /nfs/dbraw/zinc/72/06/64/562720664.db2.gz RUUSENCBAOGSKC-UHFFFAOYSA-N 0 1 512.073 5.176 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072105079 562720675 /nfs/dbraw/zinc/72/06/75/562720675.db2.gz XBHBUHNFHANSTE-UHFFFAOYSA-N 0 1 546.090 5.891 1 0 KKAFMN CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072106557 562721058 /nfs/dbraw/zinc/72/10/58/562721058.db2.gz FSVRRFIIJNMQRT-UHFFFAOYSA-N 0 1 524.109 5.046 1 0 KKAFMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112007 562722023 /nfs/dbraw/zinc/72/20/23/562722023.db2.gz NLRTZUWVHGZTCY-FYCJCQSNSA-N 0 1 624.810 6.132 1 0 KKAFMN COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CN2CCCCC2)c(OC(C)C)c1 ZINC000072113429 562722387 /nfs/dbraw/zinc/72/23/87/562722387.db2.gz GYKYDSMPLXRLJJ-JSOSNVBQSA-N 0 1 580.556 7.347 1 0 KKAFMN N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118057 562723379 /nfs/dbraw/zinc/72/33/79/562723379.db2.gz JLJBKTJUXXMOSG-HHHXNRCGSA-N 0 1 594.559 7.752 1 0 KKAFMN O=C(NCc1ccccc1C(F)(F)F)c1cccc2c1C(=O)c1ccc(N3CCC(N4CCCCC4)CC3)cc1S2(=O)=O ZINC000072136427 562727978 /nfs/dbraw/zinc/72/79/78/562727978.db2.gz AHLGSDFQNFHWIN-UHFFFAOYSA-N 0 1 611.686 5.467 3 0 KKAFMN O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137863 562728434 /nfs/dbraw/zinc/72/84/34/562728434.db2.gz ZUFKXVUREMYOOB-GDLZYMKVSA-N 0 1 552.477 6.677 3 0 KKAFMN CCc1nc(N)nc(NCCc2ccccc2NC(=O)c2ccc(N)c(OC)c2)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2 ZINC000072138049 562728603 /nfs/dbraw/zinc/72/86/03/562728603.db2.gz SQXBOADNRXSHPF-UHFFFAOYSA-N 0 1 653.784 5.326 1 0 KKAFMN COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072141794 562729396 /nfs/dbraw/zinc/72/93/96/562729396.db2.gz DITLBWUCZCNKIY-XDWGWCSASA-N 0 1 643.806 5.515 3 0 KKAFMN O=C([O-])c1ccc(-c2ccc(OCCc3cc([C@@](O)(CC[NH+]4CCOCC4)c4ccc(Br)cc4)ccc3Cl)cc2)cc1 ZINC000072147669 562729792 /nfs/dbraw/zinc/72/97/92/562729792.db2.gz BLSOYCQPNQMTPH-UUWRZZSWSA-N 0 1 650.997 7.047 1 0 KKAFMN COc1c(C)cnc(C[S@@](=O)c2nc3cc(NC(=O)COCc4ccccc4)c(N4CCCCC4)cc3[nH]2)c1C ZINC000072174369 562731124 /nfs/dbraw/zinc/73/11/24/562731124.db2.gz WLSBVKLTLVZAMQ-FAIXQHPJSA-N 0 1 561.708 5.037 1 0 KKAFMN Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1CN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182178 562732859 /nfs/dbraw/zinc/73/28/59/562732859.db2.gz SBFIOSDRDYETRF-HXUWFJFHSA-N 0 1 515.498 5.458 1 0 KKAFMN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000073163840 562734291 /nfs/dbraw/zinc/73/42/91/562734291.db2.gz NPMCEFXQQVODJR-SANMLTNESA-N 0 1 514.012 6.053 1 0 KKAFMN O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000073167827 562734625 /nfs/dbraw/zinc/73/46/25/562734625.db2.gz KTGYQSLCEGJTLM-WJOKGBTCSA-N 0 1 552.690 5.788 1 0 KKAFMN Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Oc2ccc(F)c(C(N)=O)c2)c2cccc(F)c2)CC1 ZINC000082136610 562738922 /nfs/dbraw/zinc/73/89/22/562738922.db2.gz QOJZHKOMYWSJNG-UHFFFAOYSA-N 0 1 665.719 5.601 1 0 KKAFMN Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(CN2CCC(N(C(=O)Nc3ccc(C(N)=O)nc3)c3cccc(F)c3)CC2)c(C)n1 ZINC000082139967 562739281 /nfs/dbraw/zinc/73/92/81/562739281.db2.gz UNMDCYHNYHSQNY-UHFFFAOYSA-N 0 1 661.760 5.198 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140386 562739432 /nfs/dbraw/zinc/73/94/32/562739432.db2.gz CNXQZTWZUOCTHS-GZEZSVSZSA-N 0 1 714.732 5.069 1 0 KKAFMN CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc32)=C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000082149408 562739718 /nfs/dbraw/zinc/73/97/18/562739718.db2.gz JYXLNCZUBWPSBA-UHFFFAOYSA-N 0 1 507.653 6.954 1 0 KKAFMN CC(C)CC[C@@H](c1ccc(CC(=O)[O-])cc1-c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000082150399 562739834 /nfs/dbraw/zinc/73/98/34/562739834.db2.gz SHZGIIPBHCPJBW-URXFXBBRSA-N 0 1 515.538 7.751 1 0 KKAFMN Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(CNCCF)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082156850 562740804 /nfs/dbraw/zinc/74/08/04/562740804.db2.gz HUCQBWDJSYLEPN-MUUNZHRXSA-N 0 1 679.020 5.363 1 0 KKAFMN CCN1CCN(C[C@@H]2S[C@@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164704 562741185 /nfs/dbraw/zinc/74/11/85/562741185.db2.gz SZDNRBMQYZRUIM-VBTAUBHQSA-N 0 1 691.862 5.110 1 0 KKAFMN CN(CCNC(=O)c1cn(C)c2c1ccc1cc(Cl)c(Cl)cc21)CCNC(=O)c1cn(C)c2c1ccc1cc(Cl)c(Cl)cc21 ZINC000082187224 562742472 /nfs/dbraw/zinc/74/24/72/562742472.db2.gz NSLADDNPUPFIFG-UHFFFAOYSA-N 0 1 669.440 7.682 1 0 KKAFMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cc(Nc4cccc(C(F)(F)F)c4)ncn3)cc2)c1 ZINC000084597054 562743915 /nfs/dbraw/zinc/74/39/15/562743915.db2.gz AGOBCXWITBRFNR-UHFFFAOYSA-N 0 1 530.528 5.724 1 0 KKAFMN CC(C)=CCC1(CC=C(C)C)C(=O)[C@@](O)(CC(C)=O)C(=O)c2oc3cc4c(c(O)c3c(=O)c21)C=CC(C)(C)O4 ZINC000084603940 562744213 /nfs/dbraw/zinc/74/42/13/562744213.db2.gz VDCUEILRTFTERJ-WJOKGBTCSA-N 0 1 534.605 5.109 1 0 KKAFMN O=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000084653249 562746814 /nfs/dbraw/zinc/74/68/14/562746814.db2.gz BSWQXZKZIVJPCF-UHFFFAOYSA-N 0 1 541.839 7.599 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)Nc3cccc(-n4ccc5c4ccnc5NC(=O)c4ccccc4)c3)cc2C(F)(F)F)CC1 ZINC000084722696 562751013 /nfs/dbraw/zinc/75/10/13/562751013.db2.gz STGQTGWWRHKYRG-UHFFFAOYSA-N 0 1 641.698 7.078 1 0 KKAFMN COc1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)cc2Cl)cc(OC)c1OC ZINC000084757049 562752353 /nfs/dbraw/zinc/75/23/53/562752353.db2.gz FGWZWHLXYGBXCW-UHFFFAOYSA-N 0 1 563.920 6.606 1 0 KKAFMN COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000095536767 562754099 /nfs/dbraw/zinc/75/40/99/562754099.db2.gz VVMJPLHVXLEJDP-IKCXEYKWSA-N 0 1 815.615 7.095 1 0 KKAFMN CN(CCNC(=O)CCCCC(=O)NCCN(C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536801 562754197 /nfs/dbraw/zinc/75/41/97/562754197.db2.gz PLYHJGZNJIKTSD-UHFFFAOYSA-N 0 1 819.794 6.472 1 0 KKAFMN CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 ZINC000095540744 562755953 /nfs/dbraw/zinc/75/59/53/562755953.db2.gz CZYLHNGDDNBPEJ-UHFFFAOYSA-N 0 1 789.866 8.437 1 0 KKAFMN C[C@@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548798 562759496 /nfs/dbraw/zinc/75/94/96/562759496.db2.gz PUWXIJWAYYMLGI-RPEDJVEQSA-N 0 1 788.864 5.797 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548862 562759555 /nfs/dbraw/zinc/75/95/55/562759555.db2.gz NEUMPLGRWKXMEG-QLFPLTKOSA-N 0 1 754.847 5.600 1 0 KKAFMN C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)[N@H+]2CCCC(C)(C)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095564263 562764242 /nfs/dbraw/zinc/76/42/42/562764242.db2.gz CZUPYRZYLJTQBP-UZTOHYMASA-N 0 1 513.575 7.911 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566499 562765007 /nfs/dbraw/zinc/76/50/07/562765007.db2.gz UFTUBZJHXRESLK-HHPFYWKMSA-N 0 1 724.723 6.861 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566523 562765083 /nfs/dbraw/zinc/76/50/83/562765083.db2.gz JUEHVKXRGUAEIX-WEVAMHJFSA-N 0 1 753.690 8.584 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095567267 562765653 /nfs/dbraw/zinc/76/56/53/562765653.db2.gz BQBZRBUVQKQZDQ-ZORUDCLVSA-N 0 1 818.938 8.111 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568205 562766404 /nfs/dbraw/zinc/76/64/04/562766404.db2.gz QLYAZMSBNLAUET-TWVHRYOLSA-N 0 1 692.842 5.735 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095568659 562766803 /nfs/dbraw/zinc/76/68/03/562766803.db2.gz HPUMWFTUTXMAAY-YPMZNXIVSA-N 0 1 613.780 5.507 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568832 562766979 /nfs/dbraw/zinc/76/69/79/562766979.db2.gz AOGINIYPPPQZNW-DVEXYGBFSA-N 0 1 702.856 5.546 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568888 562766994 /nfs/dbraw/zinc/76/69/94/562766994.db2.gz ORNNHAIJDBYIOA-GVNDJSPXSA-N 0 1 590.592 5.793 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095570293 562768084 /nfs/dbraw/zinc/76/80/84/562768084.db2.gz ZDSSDODBGXDSBP-GJWZSCNASA-N 0 1 678.802 6.095 3 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095570632 562768316 /nfs/dbraw/zinc/76/83/16/562768316.db2.gz QWTHGLUFUCUWTA-MJZSVGSSSA-N 0 1 684.705 7.102 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095570556 562768328 /nfs/dbraw/zinc/76/83/28/562768328.db2.gz IVNKSYFTCQFKFE-NJQVLOCASA-N 0 1 646.810 5.040 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095571180 562768850 /nfs/dbraw/zinc/76/88/50/562768850.db2.gz FKTABSPDLVGIRZ-VLKVQYIGSA-N 0 1 710.872 7.140 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095571210 562768894 /nfs/dbraw/zinc/76/88/94/562768894.db2.gz JQYQEVXVIORBSR-DRSMIVCTSA-N 0 1 635.592 7.143 1 0 KKAFMN COC(=O)[C@@H](CC[NH+](C)C)N(C)C(=O)c1c(C)cc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095572126 562769318 /nfs/dbraw/zinc/76/93/18/562769318.db2.gz ONGHAXDNZOLURJ-HHHXNRCGSA-N 0 1 600.181 5.607 1 0 KKAFMN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)cc3)C2)cc1OC ZINC000095573723 562769773 /nfs/dbraw/zinc/76/97/73/562769773.db2.gz HPHVUTVHDVFZLO-QFIPXVFZSA-N 0 1 582.000 5.874 1 0 KKAFMN COC(=O)[C@H](CC[NH+](C)C)NC(=O)c1c(C)cc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095575764 562770442 /nfs/dbraw/zinc/77/04/42/562770442.db2.gz IPSUNCXYJFSPLS-SANMLTNESA-N 0 1 586.154 5.265 1 0 KKAFMN Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2ccc3n[nH]cc3c2)nn1 ZINC000095576488 562770684 /nfs/dbraw/zinc/77/06/84/562770684.db2.gz CDXRBIMKCWWDMY-UHFFFAOYSA-N 0 1 574.611 5.138 1 0 KKAFMN Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)N[C@@]4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CC[N@@H+](C)C4)cc3n2C)nc1 ZINC000095577546 562771012 /nfs/dbraw/zinc/77/10/12/562771012.db2.gz ZUCBKYDTOQDFKA-YHNZGHQASA-N 0 1 605.739 5.747 1 0 KKAFMN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCC(S(C)(=O)=O)CC2)CC1 ZINC000095579837 562771682 /nfs/dbraw/zinc/77/16/82/562771682.db2.gz AESXAJXKMUNYJP-ZWFIUULVSA-N 0 1 638.843 5.001 1 0 in-man KKAFMN C[NH+]1CC(n2nccc2-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2Cl)C1 ZINC000095585172 562773516 /nfs/dbraw/zinc/77/35/16/562773516.db2.gz WALRMCVOWIAQSY-UHFFFAOYSA-N 0 1 538.001 5.018 1 0 KKAFMN CN1C[C@H](c2cncc(-c3ccc(F)cc3)c2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095586901 562774107 /nfs/dbraw/zinc/77/41/07/562774107.db2.gz XOFOWYPZUOEZJF-DCCHFUKUSA-N 0 1 524.595 6.587 1 0 KKAFMN CC(C)c1nc(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)c(-c2ccnc(NCCC[NH+](C)C)n2)s1 ZINC000095588016 562774486 /nfs/dbraw/zinc/77/44/86/562774486.db2.gz GIHLWYFACNOAGB-UHFFFAOYSA-N 0 1 554.717 5.694 1 0 KKAFMN O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000095591772 562775772 /nfs/dbraw/zinc/77/57/72/562775772.db2.gz PVGMGRKQQQTCKN-UHFFFAOYSA-N 0 1 547.769 7.807 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095598950 562777675 /nfs/dbraw/zinc/77/76/75/562777675.db2.gz NGSMHOKAGHIENU-GLPSKGHJSA-N 0 1 623.839 5.463 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095600142 562778636 /nfs/dbraw/zinc/77/86/36/562778636.db2.gz CHFYKRHHVBHPRB-QZCKSCMDSA-N 0 1 685.693 7.565 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095600080 562778655 /nfs/dbraw/zinc/77/86/55/562778655.db2.gz URXZZUBQVMOKIH-CUMRGQLISA-N 0 1 641.017 5.800 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095601713 562779752 /nfs/dbraw/zinc/77/97/52/562779752.db2.gz CBAAPWVHONFTKW-QARNLMGBSA-N 0 1 724.843 6.039 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(Cl)[nH]1)C(C)C ZINC000095603230 562780439 /nfs/dbraw/zinc/78/04/39/562780439.db2.gz RLDAOUSEWZFSOO-SFTDATJTSA-N 0 1 548.993 6.460 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603681 562780606 /nfs/dbraw/zinc/78/06/06/562780606.db2.gz FDDMFJKLVOMWML-ZCKQCUHLSA-N 0 1 703.683 7.704 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2C(F)(F)F)OCc2ccccc2-c2ccccc2C1=O ZINC000095603717 562780666 /nfs/dbraw/zinc/78/06/66/562780666.db2.gz FDAULICGQFNBRP-BXOOBUKZSA-N 0 1 540.626 5.862 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095604036 562780830 /nfs/dbraw/zinc/78/08/30/562780830.db2.gz FJNSKGNJNIWDNP-VKIDHGPPSA-N 0 1 640.124 5.512 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000095604312 562780950 /nfs/dbraw/zinc/78/09/50/562780950.db2.gz IMPBBHMDJCWLCX-QZTZHPFYSA-N 0 1 612.601 5.208 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095605095 562781399 /nfs/dbraw/zinc/78/13/99/562781399.db2.gz CHFYKRHHVBHPRB-NAJARDBOSA-N 0 1 685.693 7.565 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095605713 562781678 /nfs/dbraw/zinc/78/16/78/562781678.db2.gz DQMSHBPWTQYHPD-QMXNRGECSA-N 0 1 690.631 7.202 1 0 KKAFMN Cc1cc(C)n2ncc(C3CCN(C[C@H]4C[N@@H+]([C@H](CC5CCC5)C(=O)[O-])C[C@@H]4c4cccc(F)c4)CC3)c2n1 ZINC000095607695 562783033 /nfs/dbraw/zinc/78/30/33/562783033.db2.gz DGTIAKQTRLSQQA-RFYMFKDESA-N 0 1 533.692 5.024 1 0 KKAFMN Cc1cc(C)n2ncc(C3CCN(C[C@H]4C[N@H+]([C@H](CC5CCC5)C(=O)[O-])C[C@@H]4c4cccc(F)c4)CC3)c2n1 ZINC000095607695 562783034 /nfs/dbraw/zinc/78/30/34/562783034.db2.gz DGTIAKQTRLSQQA-RFYMFKDESA-N 0 1 533.692 5.024 1 0 KKAFMN COC(=O)OC1=C2C(C)[C@@H](OC(=O)C=Cc3ccc4ccccc4c3)C[C@@](O)([C@@H](OC(=O)c3ccc(OC)cc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C ZINC000095612808 562785843 /nfs/dbraw/zinc/78/58/43/562785843.db2.gz BIGYAVWJGMPFJI-JSCLYBKYSA-N 0 1 812.865 5.299 1 0 KKAFMN CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665568 562788172 /nfs/dbraw/zinc/78/81/72/562788172.db2.gz ZOJYMANGPPSVIB-HXUWFJFHSA-N 0 1 527.452 5.384 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095809835 562789256 /nfs/dbraw/zinc/78/92/56/562789256.db2.gz AOGINIYPPPQZNW-PJZRLIRTSA-N 0 1 702.856 5.546 1 0 KKAFMN Cc1cc(-c2c(Cl)ccc([O-])c2F)cc2nnc(Nc3ccc(C(=O)N(C)CC[NH+]4CCCC4)cc3)nc12 ZINC000096167825 562790667 /nfs/dbraw/zinc/79/06/67/562790667.db2.gz XLGZSWRWVOETRG-UHFFFAOYSA-N 0 1 535.023 5.410 1 0 KKAFMN CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174206 562791811 /nfs/dbraw/zinc/79/18/11/562791811.db2.gz UHRFQLODOGBNCC-BHVANESWSA-N 0 1 647.780 5.888 1 0 KKAFMN CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1 ZINC000096270384 562793203 /nfs/dbraw/zinc/79/32/03/562793203.db2.gz HPHUDNTXCKTLNK-SZAHLOSFSA-N 0 1 607.626 7.608 1 0 KKAFMN O=C(Nc1ccc(Sc2nc(Cl)cc(Nc3c[nH]nc3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)n2)cc1)C1CC1 ZINC000096271632 562793867 /nfs/dbraw/zinc/79/38/67/562793867.db2.gz GVWOZWUDWKTPQX-UHFFFAOYSA-N 0 1 602.124 5.472 1 0 KKAFMN O=C(CN1CCN(CCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271840 562793940 /nfs/dbraw/zinc/79/39/40/562793940.db2.gz GRAHOHOHWNFDDR-UHFFFAOYSA-N 0 1 554.691 5.025 1 0 KKAFMN CC(C)(C)CNC(=O)c1ccc(-c2ccc(OC3CCC3)nc2C(=O)Nc2ccc3c(N)[nH+]ccc3c2)c(C(=O)[O-])c1 ZINC000096283220 562794831 /nfs/dbraw/zinc/79/48/31/562794831.db2.gz HFSBCRPYYWEFJA-UHFFFAOYSA-N 0 1 567.646 5.537 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5ccccc5C(F)(F)F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905564 562798561 /nfs/dbraw/zinc/79/85/61/562798561.db2.gz YQCNVQCKZMAIQM-YAWCOSQYSA-N 0 1 542.598 6.045 1 0 KKAFMN CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000096909603 562799621 /nfs/dbraw/zinc/79/96/21/562799621.db2.gz MMTMYODLXHKBCI-RBTNQOKQSA-N 0 1 552.513 5.912 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5ccc(F)c(F)c5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910315 562799962 /nfs/dbraw/zinc/79/99/62/562799962.db2.gz VJGIDQVUUWBGRI-RFXABHEISA-N 0 1 528.571 5.443 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(C(F)(F)F)ccc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910304 562799966 /nfs/dbraw/zinc/79/99/66/562799966.db2.gz VLYGAUXLBOKRFP-SGUQQXKUSA-N 0 1 560.588 6.184 1 0 KKAFMN CSc1nc2c(cnn2C[C@@H](C)c2ccccc2)c(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Br)c2)n1 ZINC000096916883 562801256 /nfs/dbraw/zinc/80/12/56/562801256.db2.gz MVGQVUFEKIVQTO-OAQYLSRUSA-N 0 1 624.609 5.637 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1C(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000096928320 562802878 /nfs/dbraw/zinc/80/28/78/562802878.db2.gz QTNCCBNVGSFFAJ-UHFFFAOYSA-N 0 1 601.122 6.619 1 0 KKAFMN CC(=O)NCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c(O)c2ccccc2n(C)c1=O ZINC000101091437 562809112 /nfs/dbraw/zinc/80/91/12/562809112.db2.gz MWIXZCARDKYENS-VWLOTQADSA-N 0 1 544.449 5.347 1 0 KKAFMN O=c1oc2c(c(O)c1[C@@H](c1cccc(NS(=O)(=O)C=Cc3ccccc3)c1)C1CC1)CCCCCC2 ZINC000101177274 562809684 /nfs/dbraw/zinc/80/96/84/562809684.db2.gz BWIMNVKVJXKONH-VRAYXWLRSA-N 0 1 505.636 5.959 1 0 KKAFMN O=C(CNCc1ccncc1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696430 562811919 /nfs/dbraw/zinc/81/19/19/562811919.db2.gz FYSUOSYMBFLMOW-UHFFFAOYSA-N 0 1 576.678 5.788 1 0 KKAFMN O=C(CN1CCCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696536 562811956 /nfs/dbraw/zinc/81/19/56/562811956.db2.gz REVMVJOOBVUMAH-UHFFFAOYSA-N 0 1 567.711 6.479 1 0 KKAFMN CCN1CC2=C(N=C3SC=CN3[C@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929150 562813535 /nfs/dbraw/zinc/81/35/35/562813535.db2.gz XRLXAIBHEHFVBX-PGSXWIQSSA-N 0 1 505.640 5.325 1 0 KKAFMN Cc1ccc(-c2ccc(C(=O)[O-])c(NS(=O)(=O)c3ccc(OCCC[NH+]4CCOCC4)cc3)c2)c2ccccc12 ZINC000103239672 562819362 /nfs/dbraw/zinc/81/93/62/562819362.db2.gz DMAMRXTYIWXNNC-UHFFFAOYSA-N 0 1 560.672 5.415 1 0 KKAFMN Cc1cnc(Nc2ccc(C(=O)Nc3ccccc3CN3CCN(C)CC3)cc2)nc1-c1ccc(OC(F)(F)F)cc1 ZINC000103241201 562819536 /nfs/dbraw/zinc/81/95/36/562819536.db2.gz UDIIBJYQANEXKE-UHFFFAOYSA-N 0 1 576.623 6.094 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000103277458 562823261 /nfs/dbraw/zinc/82/32/61/562823261.db2.gz DBYZLUYCEAGBJM-ZCQGCHJCSA-N 0 1 631.691 6.432 1 0 KKAFMN O=C1Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000103298260 562824812 /nfs/dbraw/zinc/82/48/12/562824812.db2.gz YDZPZHJIXIXGEU-MVJHLKBCSA-N 0 1 564.711 6.406 1 0 KKAFMN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN5CCCC5)nc4)c3c2)cc(Cl)c1O ZINC000114036941 562827119 /nfs/dbraw/zinc/82/71/19/562827119.db2.gz JFAFUFUXJDNYDV-UHFFFAOYSA-N 0 1 529.040 6.597 1 0 KKAFMN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN5CCN(C)CC5)cc4)c3c2)ccc1O ZINC000114036958 562827163 /nfs/dbraw/zinc/82/71/63/562827163.db2.gz CUEGGHUYFDTDMC-UHFFFAOYSA-N 0 1 522.649 5.700 1 0 KKAFMN O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000114039018 562827372 /nfs/dbraw/zinc/82/73/72/562827372.db2.gz YPJLKKWAOLSVKZ-UHFFFAOYSA-N 0 1 532.015 6.568 1 0 KKAFMN O=S(=O)(CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)[N-]c1ccccn1 ZINC000114978805 562828587 /nfs/dbraw/zinc/82/85/87/562828587.db2.gz HUFJZENUEXUKST-AREMUKBSSA-N 0 1 512.075 5.255 1 0 KKAFMN CCCS(=O)(=O)[N-]c1cccnc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980446 562828653 /nfs/dbraw/zinc/82/86/53/562828653.db2.gz QKCJTNKROJXRJV-RUZDIDTESA-N 0 1 512.075 5.988 1 0 KKAFMN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ncc(CN(C)C)[nH]3)c3ncccc23)c1Cl ZINC000115295537 562828805 /nfs/dbraw/zinc/82/88/05/562828805.db2.gz UHNOULWKOLJUOI-UHFFFAOYSA-N 0 1 500.386 5.263 1 0 KKAFMN COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2C(=O)N(C)C)c(C(F)(F)F)cn1 ZINC000115618308 562829000 /nfs/dbraw/zinc/82/90/00/562829000.db2.gz NUCHZGVVXZEKRI-UHFFFAOYSA-N 0 1 515.536 5.135 1 0 KKAFMN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCc1nn[nH]n1)C(=O)C2 ZINC000118790537 562830549 /nfs/dbraw/zinc/83/05/49/562830549.db2.gz FOCZOWVAISYOAB-MUUNZHRXSA-N 0 1 534.016 5.217 1 0 KKAFMN Brc1c2nc(Nc3ccncc3)[nH]c2c(Br)c(Br)c1Br ZINC000143598441 562835199 /nfs/dbraw/zinc/83/51/99/562835199.db2.gz QJIZZSLYWRJKQT-UHFFFAOYSA-N 0 1 525.824 5.752 1 0 KKAFMN CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5cc(NC(=O)C6CC6)ncc5c4)c3)cc2)CC1 ZINC000144381398 562836165 /nfs/dbraw/zinc/83/61/65/562836165.db2.gz SKQONWVDCNGVHE-UHFFFAOYSA-N 0 1 554.094 5.903 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144394733 562836187 /nfs/dbraw/zinc/83/61/87/562836187.db2.gz SFPLGZCAHPZDAY-UHFFFAOYSA-N 0 1 568.121 6.212 1 0 KKAFMN CC(C)(C)n1cc(C[N@H+]2CCC[C@@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(-c2ccc(F)c(F)c2F)n1 ZINC000144543582 562836379 /nfs/dbraw/zinc/83/63/79/562836379.db2.gz GQTPUVOREKBOEK-LJAQVGFWSA-N 0 1 556.585 5.802 1 0 KKAFMN CC(C)(C)n1cc(CN2CCC3(CN(c4ccc(-c5nn[nH]n5)cc4)C(=O)O3)CC2)c(-c2cc(F)c(Cl)cc2F)n1 ZINC000144585503 562836456 /nfs/dbraw/zinc/83/64/56/562836456.db2.gz BXXSLIJHVRKSAP-UHFFFAOYSA-N 0 1 583.043 5.408 1 0 KKAFMN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2 ZINC000145911965 562837807 /nfs/dbraw/zinc/83/78/07/562837807.db2.gz NQYCKGJPXNFTCR-UHFFFAOYSA-N 0 1 594.764 5.247 1 0 KKAFMN O=C([O-])c1cccc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000146006268 562837877 /nfs/dbraw/zinc/83/78/77/562837877.db2.gz LYILZTQKEIMJDW-UHFFFAOYSA-N 0 1 568.035 8.160 1 0 KKAFMN Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1N1CCc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C1=O ZINC000146944841 562838932 /nfs/dbraw/zinc/83/89/32/562838932.db2.gz JCYJCYDKQAEPJA-UHFFFAOYSA-N 0 1 616.648 5.149 1 0 KKAFMN CC(C)CC(C)(C)C[C@H]1N(C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147069323 562839146 /nfs/dbraw/zinc/83/91/46/562839146.db2.gz RGGASZWTQWAWAZ-KOXXDOIJSA-N 0 1 626.572 5.250 1 0 KKAFMN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148104613 562840209 /nfs/dbraw/zinc/84/02/09/562840209.db2.gz TVVGMFXGGDPBSB-UHFFFAOYSA-N 0 1 594.642 5.421 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccncc3)nc21 ZINC000148144024 562840291 /nfs/dbraw/zinc/84/02/91/562840291.db2.gz YCSBAESIYSCMCW-UHFFFAOYSA-N 0 1 613.648 6.346 1 0 KKAFMN CCN(CC)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)c2n1 ZINC000148144665 562840296 /nfs/dbraw/zinc/84/02/96/562840296.db2.gz DRMFXMBJFZLEQX-UHFFFAOYSA-N 0 1 578.643 6.185 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148307469 562840975 /nfs/dbraw/zinc/84/09/75/562840975.db2.gz LHJRGUQZWNRWLW-QFIPXVFZSA-N 0 1 594.617 5.887 1 0 KKAFMN CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(Nc3ccccc3)c2)CC1 ZINC000148544262 562841458 /nfs/dbraw/zinc/84/14/58/562841458.db2.gz PNYLFBGVAMZTGS-UHFFFAOYSA-N 0 1 552.629 6.180 1 0 KKAFMN CC(=O)N1CCc2nc(-c3cc(C(=O)N4CCC(c5ccc(C(F)(F)F)cc5)CC4)c(C)cc3C)[nH]c2C1 ZINC000149316652 562842593 /nfs/dbraw/zinc/84/25/93/562842593.db2.gz YLAPWUGTCAZXOW-UHFFFAOYSA-N 0 1 524.587 5.637 1 0 KKAFMN CC(C)(C)OC(=O)c1ccccc1C(=O)c1ccc(OCCCOC(=O)N[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)OC(C)(C)C)cc1 ZINC000150354296 562843299 /nfs/dbraw/zinc/84/32/99/562843299.db2.gz HOJANWLNIGZMKI-NDEPHWFRSA-N 0 1 871.503 7.236 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6Cl)cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000150537524 562844006 /nfs/dbraw/zinc/84/40/06/562844006.db2.gz XDGDPJLHUMZQBN-ROUMXBAISA-N 0 1 884.505 8.402 1 0 KKAFMN O[C@H](COC(c1ccc(Br)cc1)c1ccc(Br)cc1)CN1CCN(C[C@H](O)COC(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000150539882 562844136 /nfs/dbraw/zinc/84/41/36/562844136.db2.gz DYOBYBGEQNJWAA-HEVIKAOCSA-N 0 1 882.326 7.988 1 0 KKAFMN COc1ccccc1C(=O)OCCc1c2ccccc2[nH]c1[C@H](c1cccc(Br)c1)c1c(O)c2ccccc2n(C)c1=O ZINC000150543547 562844301 /nfs/dbraw/zinc/84/43/01/562844301.db2.gz SYNQPUZQUDQYAQ-SSEXGKCCSA-N 0 1 637.530 7.076 1 0 KKAFMN CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(c4ccccc4N(Cc4ccc(Cl)c(Cl)c4)C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000150546393 562844461 /nfs/dbraw/zinc/84/44/61/562844461.db2.gz QTNSQIABBSIQJF-CKZSISKJSA-N 0 1 733.490 7.696 1 0 KKAFMN O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[n-]1)[C@@H]1[C@@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583503 562845665 /nfs/dbraw/zinc/84/56/65/562845665.db2.gz UFNLUDOAYKNDQW-UVMMSNCQSA-N 0 1 703.696 8.086 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(F)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585598 562845783 /nfs/dbraw/zinc/84/57/83/562845783.db2.gz JKRIOZOEJDDAOK-WNOXWKSXSA-N 0 1 759.868 6.392 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586030 562845814 /nfs/dbraw/zinc/84/58/14/562845814.db2.gz XUEBXQWSAJBKJO-GOJCVTOHSA-N 0 1 741.878 6.253 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5Cl)cc4)nc(N(C)C)n3)ccc12 ZINC000150586622 562845844 /nfs/dbraw/zinc/84/58/44/562845844.db2.gz MXBBIXMSZWRKRS-GOJCVTOHSA-N 0 1 810.768 7.560 1 0 KKAFMN COc1ccc([C@@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588785 562845997 /nfs/dbraw/zinc/84/59/97/562845997.db2.gz POYPFFFZHMNIBL-BYYXFNHRSA-N 0 1 771.904 6.261 1 0 KKAFMN COc1ccc([C@@H]2S[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588791 562846058 /nfs/dbraw/zinc/84/60/58/562846058.db2.gz DEHAHKKDJRYULL-HMIRPBQQSA-N 0 1 801.930 6.270 1 0 KKAFMN CS(=O)(=O)Nc1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1OCc1ccccc1 ZINC000150603099 562847394 /nfs/dbraw/zinc/84/73/94/562847394.db2.gz IEUGAGUQAUJRBX-PMERELPUSA-N 0 1 723.578 7.108 1 0 KKAFMN CC(C)c1nc(CN(C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604153 562847555 /nfs/dbraw/zinc/84/75/55/562847555.db2.gz SBBZCSSPXOWAMS-RWSVXVLSSA-N 0 1 742.972 6.244 1 0 KKAFMN CN1CCN(c2cc(F)ccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606255 562847884 /nfs/dbraw/zinc/84/78/84/562847884.db2.gz JQVJIZRMTCKEHP-VBTAUBHQSA-N 0 1 664.892 5.428 1 0 KKAFMN CC(C)(C)CCN1C(=O)[C@@H](CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)S[C@@H]1c1cccc(F)c1N1CCN(C(C)(C)C)CC1 ZINC000150606297 562847921 /nfs/dbraw/zinc/84/79/21/562847921.db2.gz CWVIRPPISINNPT-BNHMMOKISA-N 0 1 706.973 6.596 1 0 KKAFMN CC(C)C1=C(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCNC3(CC3)C2)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)c(F)c3)N21 ZINC000163645647 562849401 /nfs/dbraw/zinc/84/94/01/562849401.db2.gz ZDERXPIAFXXKIC-AABGSDEHSA-N 0 1 675.633 5.673 1 0 KKAFMN CCN1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N(C)C[C@@H]6CCCCO6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000165274847 562850040 /nfs/dbraw/zinc/85/00/40/562850040.db2.gz IQMFRUIPMLJURU-MHZLTWQESA-N 0 1 663.749 5.890 1 0 KKAFMN CCCNCc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306762 562853582 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O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)c1nn[nH]n1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202312375 562873641 /nfs/dbraw/zinc/87/36/41/562873641.db2.gz RSPXBYVZDFZHKB-AREMUKBSSA-N 0 1 550.022 5.461 1 0 KKAFMN COC(=O)Nc1ccc2c(c1)N[C@H](C(F)(F)F)CCCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1 ZINC000203918215 562874204 /nfs/dbraw/zinc/87/42/04/562874204.db2.gz KACGOBAJRKQTQK-GJQNGUEISA-N 0 1 664.476 6.325 1 0 KKAFMN O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[C@H](O)C2)nc1)C1CC1 ZINC000203988437 562874311 /nfs/dbraw/zinc/87/43/11/562874311.db2.gz WRZHKYFKFZLMKD-IBGZPJMESA-N 0 1 518.976 5.702 1 0 KKAFMN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCN(C)CC5)nc4)c3c2)cc(Cl)c1O ZINC000203989737 562874351 /nfs/dbraw/zinc/87/43/51/562874351.db2.gz QGFYSTKZYDFWHP-UHFFFAOYSA-N 0 1 544.055 5.753 1 0 KKAFMN Nc1n[nH]c2cc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)nc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000204813370 562874588 /nfs/dbraw/zinc/87/45/88/562874588.db2.gz UHSQNAZJQHTBAF-OAQYLSRUSA-N 0 1 504.594 6.411 1 0 KKAFMN C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(-c4cncnc4)ccc3[nH]2)C1=O ZINC000205338716 562875152 /nfs/dbraw/zinc/87/51/52/562875152.db2.gz BSUOAUQMXRRLKR-LDLUVENISA-N 0 1 507.525 5.337 1 0 KKAFMN CCN1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6occ(C)c6c5)nc(C)n4)c3)cn2)CC1 ZINC000205832644 562875987 /nfs/dbraw/zinc/87/59/87/562875987.db2.gz QWVWRHZOCASQGL-QFIPXVFZSA-N 0 1 533.680 6.279 1 0 KKAFMN CC(C)(C)OC(=O)N1C[C@H](Nc2nc3ccc(Cl)cc3[nH]2)[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000206708825 562876512 /nfs/dbraw/zinc/87/65/12/562876512.db2.gz NJSZUNHOUCPFFE-DQEYMECFSA-N 0 1 533.028 6.140 1 0 KKAFMN O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000220582209 562878636 /nfs/dbraw/zinc/87/86/36/562878636.db2.gz KSXRAGCMEANXGI-UHFFFAOYSA-N 0 1 555.578 5.178 1 0 KKAFMN COC(=O)Nc1ccc2c(c1)N[C@@H](C(F)(F)F)CCCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc(C)c-2[nH]1 ZINC000230573321 562881108 /nfs/dbraw/zinc/88/11/08/562881108.db2.gz GFBBKLBSTHDQDG-VXSCLSAESA-N 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CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299842994 562888956 /nfs/dbraw/zinc/88/89/56/562888956.db2.gz RCRKUTFIUCSOQL-YCUWEVSUSA-N 0 1 810.938 5.296 1 0 KKAFMN Cc1ccc(N(CCCN2CCN(Cc3ccc(F)cc3)C[C@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856212 562891892 /nfs/dbraw/zinc/89/18/92/562891892.db2.gz IRXPYSOEJZVFBM-HHHXNRCGSA-N 0 1 605.198 6.269 1 0 KKAFMN C[N@@H+](CCOC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000299861088 562893196 /nfs/dbraw/zinc/89/31/96/562893196.db2.gz HTIZULDALLMMIY-RTWAWAEBSA-N 0 1 503.483 6.405 1 0 KKAFMN O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863850 562893946 /nfs/dbraw/zinc/89/39/46/562893946.db2.gz LRIVUPRHLMQOGF-ZVZYGMPWSA-N 0 1 606.166 6.980 1 0 KKAFMN CC[N@H+](CCCOc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC ZINC000473115497 562899057 /nfs/dbraw/zinc/89/90/57/562899057.db2.gz TUCZTPCHFSWZTK-UHFFFAOYSA-N 0 1 519.594 5.482 1 0 KKAFMN CC[N@@H+](CCCOc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC ZINC000473115497 562899058 /nfs/dbraw/zinc/89/90/58/562899058.db2.gz TUCZTPCHFSWZTK-UHFFFAOYSA-N 0 1 519.594 5.482 1 0 KKAFMN C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4cccnc4Cl)cc3[nH]2)C1=O ZINC000473134018 562900437 /nfs/dbraw/zinc/90/04/37/562900437.db2.gz AVWMXQCZCNRWIH-VPTFNQTCSA-N 0 1 540.982 6.595 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc1)CC2 ZINC000473136006 562900896 /nfs/dbraw/zinc/90/08/96/562900896.db2.gz MRAKHNCPOIFKDK-UHFFFAOYSA-N 0 1 639.696 6.377 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc1)CC2 ZINC000473137006 562901116 /nfs/dbraw/zinc/90/11/16/562901116.db2.gz WEEQDXIWMATHMB-UHFFFAOYSA-N 0 1 640.589 6.665 1 0 KKAFMN O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)s1)c1c(F)ccc(O)c1F 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CC[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(OC)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473228940 562904416 /nfs/dbraw/zinc/90/44/16/562904416.db2.gz XHBIASAVWSMLES-CVJWPJSTSA-N 0 1 586.129 5.466 1 0 KKAFMN CCc1cc(C[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCN1C(=O)CCC1=O ZINC000473229075 562904422 /nfs/dbraw/zinc/90/44/22/562904422.db2.gz UFAJMGVYFKCDJP-BULFRSBZSA-N 0 1 547.479 5.510 1 0 KKAFMN CCc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CCC1=O ZINC000473233238 562904451 /nfs/dbraw/zinc/90/44/51/562904451.db2.gz CLWGCPWOAWHLEQ-XAXKJMDRSA-N 0 1 585.116 5.950 1 0 KKAFMN CCc1cc(C[N@@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCN1C(=O)CCC1=O ZINC000473229076 562904455 /nfs/dbraw/zinc/90/44/55/562904455.db2.gz UFAJMGVYFKCDJP-YHYVQYDKSA-N 0 1 547.479 5.510 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473233278 562904520 /nfs/dbraw/zinc/90/45/20/562904520.db2.gz LQVGWCAPJBMANM-PQNGQFLHSA-N 0 1 590.639 5.696 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc3c(c2)CCC3)ccc1OCCN1C(=O)CCC1=O ZINC000473233297 562904540 /nfs/dbraw/zinc/90/45/40/562904540.db2.gz NVISFHXFTAKPFG-JQYIIUTOSA-N 0 1 562.707 5.166 1 0 KKAFMN Cc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473233304 562904545 /nfs/dbraw/zinc/90/45/45/562904545.db2.gz PFYLDNWHZSKJLS-YBXDKENTSA-N 0 1 586.104 5.441 1 0 KKAFMN CCc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]2CCc3c2ccc(F)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473243977 562904771 /nfs/dbraw/zinc/90/47/71/562904771.db2.gz HCDLXDRBTLLHDN-SZEHJLNQSA-N 0 1 585.116 5.950 1 0 KKAFMN O=C([O-])[C@H]1CC[C@H](C[N@@H+](Cc2ccc(OCCN3C(=O)CCC3=O)c(F)c2)[C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000473244393 562904820 /nfs/dbraw/zinc/90/48/20/562904820.db2.gz JSMBJMKJKHRGQN-YMJPAYASSA-N 0 1 575.052 5.527 1 0 KKAFMN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)c2cn(CC(=O)Nc3c(C(F)(F)F)n[nH]c3-c3ccccc3)nn2)cc1 ZINC000473248248 562905040 /nfs/dbraw/zinc/90/50/40/562905040.db2.gz MQEWNODUBRFULF-UHFFFAOYSA-N 0 1 612.572 5.418 1 0 KKAFMN COc1ccc(C[C@@H]2c3ccc(NCc4ccccc4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474609559 562905613 /nfs/dbraw/zinc/90/56/13/562905613.db2.gz QTDUAVIOODNWJG-WJOKGBTCSA-N 0 1 535.688 5.774 1 0 KKAFMN COc1ccc(CCNc2ccc3c(c2)CCN(CC(=O)NCc2ccccc2)[C@@H]3Cc2ccc(OC)c(OC)c2)cc1OC ZINC000474609927 562905742 /nfs/dbraw/zinc/90/57/42/562905742.db2.gz XJJBZALXBSSBSQ-JGCGQSQUSA-N 0 1 609.767 5.834 1 0 KKAFMN COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccccc2)CO1)C(c1ccccc1)c1ccccc1 ZINC000584904748 562905842 /nfs/dbraw/zinc/90/58/42/562905842.db2.gz MYPZZBCHYVILMP-UKAHRKLESA-N 0 1 650.776 5.398 1 0 in-vitro KKAFMN COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(O)c5c(=O)c4OCc4ccccc4)ccc3O[C@@H]2CO)ccc1O ZINC000653687478 562906562 /nfs/dbraw/zinc/90/65/62/562906562.db2.gz SNXNJCHNDFOVAZ-BLPFIKBVSA-N 0 1 660.675 6.911 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C6CC6)n5)cc4)ccc3c2[nH]1)C(C)C ZINC000653693881 562906881 /nfs/dbraw/zinc/90/68/81/562906881.db2.gz BNWNJKSBNFZUAA-ZYADHFCISA-N 0 1 805.025 7.083 1 0 KKAFMN CCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)c(OCCC)c2=O ZINC000653701100 562907470 /nfs/dbraw/zinc/90/74/70/562907470.db2.gz WPQBCUYBRTZYCY-WNJJXGMVSA-N 0 1 564.587 5.331 1 0 KKAFMN COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(Oc1ccccc1)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000653710286 562908127 /nfs/dbraw/zinc/90/81/27/562908127.db2.gz OQXQVCSKNJKVTL-DECSIMMDSA-N 0 1 571.522 6.105 1 0 KKAFMN COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)Oc1cc(=O)c2c(O)cc(-c3ccc(O)cc3)oc-2c1)C(C)C ZINC000653713264 562908273 /nfs/dbraw/zinc/90/82/73/562908273.db2.gz QPJMFFJAOOEBCL-MGGKRHIHSA-N 0 1 539.477 5.224 1 0 KKAFMN Cn1c(=O)nc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)cc1N1CCN(C2CC2)CC1 ZINC000653722479 562908799 /nfs/dbraw/zinc/90/87/99/562908799.db2.gz QOWHDNHDLZYUKL-UHFFFAOYSA-N 0 1 570.946 5.386 1 0 KKAFMN Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCC3)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653768397 562911760 /nfs/dbraw/zinc/91/17/60/562911760.db2.gz AWHBSEWLGKQINF-UHFFFAOYSA-N 0 1 543.667 7.064 1 0 KKAFMN Cc1cc2ccc(F)cc2nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCCC3)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653773187 562911837 /nfs/dbraw/zinc/91/18/37/562911837.db2.gz JGCZXMWYSLMZHI-UHFFFAOYSA-N 0 1 575.684 7.593 1 0 KKAFMN O=C(NCc1c(F)ccc(F)c1F)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653825258 562914363 /nfs/dbraw/zinc/91/43/63/562914363.db2.gz SJUGEQSQAWGUSE-UHFFFAOYSA-N 0 1 561.749 5.574 1 0 KKAFMN C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CC[NH+](C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653825370 562914367 /nfs/dbraw/zinc/91/43/67/562914367.db2.gz BAWZESLJEVSFRN-OAHLLOKOSA-N 0 1 522.440 5.700 1 0 KKAFMN C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653825370 562914368 /nfs/dbraw/zinc/91/43/68/562914368.db2.gz BAWZESLJEVSFRN-OAHLLOKOSA-N 0 1 522.440 5.700 1 0 KKAFMN O=C(Nc1ccc(Oc2ccnc(-c3nncn3CCCN3CCOCC3)c2)c(F)c1)Nc1ccc(Cl)cc1Cl ZINC000653843503 562915027 /nfs/dbraw/zinc/91/50/27/562915027.db2.gz LWRQAIYZPVHGLF-UHFFFAOYSA-N 0 1 586.455 5.945 1 0 KKAFMN COc1cc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)c(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1O ZINC000095914236 565185529 /nfs/dbraw/zinc/18/55/29/565185529.db2.gz UJDHNXMYMWDWQG-VMPREFPWSA-N 0 1 682.814 6.760 1 0 biogenic,in-vitro KKAFMN CCc1cc(C[C@@H]2CC[C@]3(C2)Cc2cc(O)cc(OC)c2-c2ccc4c(c23)O[C@H](c2ccc(O)c(OC)c2)[C@H]4COC(C)=O)cnc1N ZINC000085568387 291948375 /nfs/dbraw/zinc/94/83/75/291948375.db2.gz QPGCBQZXTHAQFN-HFDIWOBKSA-N 0 1 650.772 6.939 1 0 biogenic,in-vitro KKAFMN Cc1ccccc1-c1cc(N2CCN(C)CC2)ccc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001549292 561677401 /nfs/dbraw/zinc/67/74/01/561677401.db2.gz LENPPWYNSXXLIB-UHFFFAOYSA-N 0 1 549.559 6.724 1 0 KKAFMN COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc(OC)c1 ZINC000003915041 561684701 /nfs/dbraw/zinc/68/47/01/561684701.db2.gz UNBNMDOOATZHTA-UHFFFAOYSA-N 0 1 564.748 6.095 1 0 KKAFMN O=C(Cn1c(SCc2cccc(F)c2F)cc(=O)c2ccccc21)N(CCc1cnc[nH]1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000003917906 561685330 /nfs/dbraw/zinc/68/53/30/561685330.db2.gz DURYVDQVHCBZAK-UHFFFAOYSA-N 0 1 688.722 8.252 1 0 KKAFMN FC(F)(F)c1nc2cc(-c3nc4ccc(-c5nc6cc(Br)c(Br)cc6[nH]5)cc4[nH]3)ccc2[nH]1 ZINC000003923420 561686125 /nfs/dbraw/zinc/68/61/25/561686125.db2.gz MAVLOEGIOMOKDA-UHFFFAOYSA-N 0 1 576.174 7.193 1 0 KKAFMN FC(F)(F)c1nc2ccc(-c3nc4cc(-c5nc6cc(Br)c(Br)cc6[nH]5)ccc4[nH]3)cc2[nH]1 ZINC000003923420 561686127 /nfs/dbraw/zinc/68/61/27/561686127.db2.gz MAVLOEGIOMOKDA-UHFFFAOYSA-N 0 1 576.174 7.193 1 0 KKAFMN FC(F)(F)c1nc2ccc(-c3nc4ccc(-c5nc6cc(Br)c(Br)cc6[nH]5)cc4[nH]3)cc2[nH]1 ZINC000003923420 561686129 /nfs/dbraw/zinc/68/61/29/561686129.db2.gz MAVLOEGIOMOKDA-UHFFFAOYSA-N 0 1 576.174 7.193 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000003924084 561686292 /nfs/dbraw/zinc/68/62/92/561686292.db2.gz FCTLXWGMRSGBKF-NDEPHWFRSA-N 0 1 639.656 5.288 1 0 KKAFMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000003941151 561689284 /nfs/dbraw/zinc/68/92/84/561689284.db2.gz CBRDBWCBSRTAIS-ZPGRZCPFSA-N 0 1 611.871 7.150 1 0 KKAFMN O=C(CC1CCN(CC(=O)N2CCOCC2)CC1)N1CCC([C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000003950870 561690481 /nfs/dbraw/zinc/69/04/81/561690481.db2.gz YCRWTAAJDYJPGL-WJOKGBTCSA-N 0 1 722.950 5.690 1 0 KKAFMN CCCc1nc(SCCCCCCCCSc2nc(-c3ccc(F)cc3)c(CCC)[nH]2)[nH]c1-c1ccc(F)cc1 ZINC000005724252 561697754 /nfs/dbraw/zinc/69/77/54/561697754.db2.gz ANOBJLNRRFTECW-UHFFFAOYSA-N 0 1 582.830 9.875 1 0 KKAFMN COc1ccccc1N1CCN(CCCNC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008597388 561706222 /nfs/dbraw/zinc/70/62/22/561706222.db2.gz DPKSLIVWFKNAGL-UHFFFAOYSA-N 0 1 630.834 5.554 1 0 KKAFMN CNC(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475850 561714722 /nfs/dbraw/zinc/71/47/22/561714722.db2.gz QIPAPFXTAOGTFK-UHFFFAOYSA-N 0 1 516.617 5.487 1 0 KKAFMN O=C(c1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2)N1CCNCC1 ZINC000013487125 561715134 /nfs/dbraw/zinc/71/51/34/561715134.db2.gz JUXDLXJBIWNUOW-UHFFFAOYSA-N 0 1 515.828 5.721 1 0 KKAFMN CC(C)[C@@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761695 561727958 /nfs/dbraw/zinc/72/79/58/561727958.db2.gz MSPKBDSHENZXSJ-DEOSSOPVSA-N 0 1 516.059 6.247 1 0 KKAFMN CN(C)c1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761667 561728037 /nfs/dbraw/zinc/72/80/37/561728037.db2.gz FKUHCZHJZWOCRL-AREMUKBSSA-N 0 1 522.667 5.413 1 0 KKAFMN CC(C)C[C@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761714 561728119 /nfs/dbraw/zinc/72/81/19/561728119.db2.gz YQNOXGAZMZYQEE-XMMPIXPASA-N 0 1 513.631 6.122 1 0 KKAFMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000013646582 561722695 /nfs/dbraw/zinc/72/26/95/561722695.db2.gz AWVLDLUQVKNAMT-QFIPXVFZSA-N 0 1 501.671 5.854 1 0 KKAFMN CCCCc1[nH+]cc(/C=C(/C(=O)[O-])[C@H](Cc2ccccc2)c2cccs2)n1Cc1ccccc1Cl ZINC000013728158 561725147 /nfs/dbraw/zinc/72/51/47/561725147.db2.gz VBORJKBYUGUCOY-XSICDPOBSA-N 0 1 505.083 7.483 1 0 KKAFMN CCCCc1ncc(/C=C2\C(=O)NC(=O)N2CCCC)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1 ZINC000013743378 561726499 /nfs/dbraw/zinc/72/64/99/561726499.db2.gz QWDAOLJZTCHRAW-NLRVBDNBSA-N 0 1 514.626 5.420 1 0 KKAFMN C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744239 561726642 /nfs/dbraw/zinc/72/66/42/561726642.db2.gz MSYTWGRTZFXVLE-SBUREZEXSA-N 0 1 510.631 5.398 1 0 KKAFMN O=C([O-])c1ccccc1CCCC1(O)CCN(C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819406 561732497 /nfs/dbraw/zinc/73/24/97/561732497.db2.gz RPFXOBKYZGYLDY-IGYGKHONSA-N 0 1 518.742 5.830 1 0 KKAFMN O=C([O-])c1ccccc1CCCC1(O)CCN(C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819406 561732499 /nfs/dbraw/zinc/73/24/99/561732499.db2.gz RPFXOBKYZGYLDY-IGYGKHONSA-N 0 1 518.742 5.830 1 0 KKAFMN O=C([O-])c1ccc(CCCC2(O)CCN(C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000013819410 561732528 /nfs/dbraw/zinc/73/25/28/561732528.db2.gz JGWJYEWLWJJIHL-IOWSJCHKSA-N 0 1 518.742 5.830 1 0 KKAFMN O=C([O-])c1ccc(CCCC2(O)CCN(C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000013819410 561732530 /nfs/dbraw/zinc/73/25/30/561732530.db2.gz JGWJYEWLWJJIHL-IOWSJCHKSA-N 0 1 518.742 5.830 1 0 KKAFMN C[C@H](Nc1cc(-c2[nH]c(SCc3ccc([S@@](C)=O)cc3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000014177070 561737314 /nfs/dbraw/zinc/73/73/14/561737314.db2.gz SZLYSQJIZDNCQP-MRYREAQLSA-N 0 1 542.705 7.481 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c(=O)c(Cc4ccccc4)nc3-c3ccccc3)cc2)CC1 ZINC000014957913 561748154 /nfs/dbraw/zinc/74/81/54/561748154.db2.gz QLBBPXPJCASIMV-UHFFFAOYSA-N 0 1 567.693 6.175 1 0 KKAFMN O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(CC[C@@H](O)c2ccccc2)CC1)c1cccc2ccccc21 ZINC000014962034 561748576 /nfs/dbraw/zinc/74/85/76/561748576.db2.gz KLXPIHNTOUDGPI-PGUFJCEWSA-N 0 1 541.695 7.005 1 0 KKAFMN O=C1CC[C@](CCN2CC(N3CCSCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927757 561759940 /nfs/dbraw/zinc/75/99/40/561759940.db2.gz HUERSZSCUMQRFY-HHHXNRCGSA-N 0 1 518.554 5.177 1 0 KKAFMN CCCCC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022932266 561760324 /nfs/dbraw/zinc/76/03/24/561760324.db2.gz JUZGVMWDXIFZGB-YTTGMZPUSA-N 0 1 510.682 5.379 1 0 KKAFMN O[C@H](COc1ccnc2cc(C(F)(F)F)ccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022934076 561760564 /nfs/dbraw/zinc/76/05/64/561760564.db2.gz AZZZOUXQECPSMI-VWLOTQADSA-N 0 1 521.583 5.401 1 0 KKAFMN Cc1ccc(O)c(N(CCCN2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000022934268 561760669 /nfs/dbraw/zinc/76/06/69/561760669.db2.gz CJDCOIPCGAVFCZ-UHFFFAOYSA-N 0 1 526.552 7.020 1 0 KKAFMN Cc1nc2sccn2c(=O)c1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000022940792 561761059 /nfs/dbraw/zinc/76/10/59/561761059.db2.gz BZFNKUVKRNSKNV-AZGAKELHSA-N 0 1 523.077 5.294 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+](C)CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000025964546 561763016 /nfs/dbraw/zinc/76/30/16/561763016.db2.gz IUCVMFQGKCHLPG-OVXDMHHOSA-N 0 1 586.754 6.609 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@@H+](C)CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000025964546 561763017 /nfs/dbraw/zinc/76/30/17/561763017.db2.gz IUCVMFQGKCHLPG-OVXDMHHOSA-N 0 1 586.754 6.609 1 0 KKAFMN CC[N@H+](CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1)C[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000025966394 561763184 /nfs/dbraw/zinc/76/31/84/561763184.db2.gz IDCRXMOPFLSPGO-FCFRYEAASA-N 0 1 510.656 5.126 1 0 KKAFMN CC[N@@H+](CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1)C[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000025966394 561763186 /nfs/dbraw/zinc/76/31/86/561763186.db2.gz IDCRXMOPFLSPGO-FCFRYEAASA-N 0 1 510.656 5.126 1 0 KKAFMN CC[C@@H](c1ccc(O)c(Br)c1)[C@H](CC)c1cc(Br)c(O)c(Br)c1 ZINC000025966366 561763190 /nfs/dbraw/zinc/76/31/90/561763190.db2.gz CYHLJVJTZORJDH-QWHCGFSZSA-N 0 1 507.060 7.073 1 0 KKAFMN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc([S@@](C)=O)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007838 561765767 /nfs/dbraw/zinc/76/57/67/561765767.db2.gz XHRXIZZVBGIHEP-MFERNQICSA-N 0 1 688.813 6.469 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000026146289 561767199 /nfs/dbraw/zinc/76/71/99/561767199.db2.gz HSXQLHRZQNXUMP-LJAQVGFWSA-N 0 1 572.712 5.244 1 0 KKAFMN COc1ccc(CN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)NC(C)(C)C)cc1 ZINC000026249844 561773884 /nfs/dbraw/zinc/77/38/84/561773884.db2.gz ZTNMIGOUCRNDHM-CONSDPRKSA-N 0 1 587.761 5.403 1 0 KKAFMN CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C1=C(O)c1ccc2c(c1OC)OCO2 ZINC000026250866 561774092 /nfs/dbraw/zinc/77/40/92/561774092.db2.gz ZGTFYUUHNMVNKA-DKBARHJHSA-N 0 1 686.795 6.020 1 0 KKAFMN COc1ccc(-c2nc3n(c2CN(C)CCc2ccccc2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026268681 561776628 /nfs/dbraw/zinc/77/66/28/561776628.db2.gz CLDRZEYGDIJNNB-UHFFFAOYSA-N 0 1 630.720 6.738 1 0 KKAFMN COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026267824 561776652 /nfs/dbraw/zinc/77/66/52/561776652.db2.gz CYYWEDCKAVRNEW-UHFFFAOYSA-N 0 1 614.743 5.059 1 0 KKAFMN CC(=O)N[C@H]1[C@H](c2nc(Cc3ccccc3)n[nH]2)OC(C(=O)OC(c2ccccc2)c2ccccc2)=C[C@@H]1NC(=O)OC(C)(C)C ZINC000026286200 561779829 /nfs/dbraw/zinc/77/98/29/561779829.db2.gz PUAIKMKZINTPMB-QRLJAKNQSA-N 0 1 623.710 5.082 1 0 KKAFMN CC(=O)N[C@H]1[C@H](c2nnc(Cc3ccccc3)[nH]2)OC(C(=O)OC(c2ccccc2)c2ccccc2)=C[C@@H]1NC(=O)OC(C)(C)C ZINC000026286200 561779830 /nfs/dbraw/zinc/77/98/30/561779830.db2.gz PUAIKMKZINTPMB-QRLJAKNQSA-N 0 1 623.710 5.082 1 0 KKAFMN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](c1ccc(C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026380773 561783329 /nfs/dbraw/zinc/78/33/29/561783329.db2.gz SDEVCNUHBOAEOK-RWTOGVPBSA-N 0 1 727.799 6.196 1 0 KKAFMN NC(N)c1ccc([C@@H](NC(=O)c2cccc(Oc3ccccc3)c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026382194 561783595 /nfs/dbraw/zinc/78/35/95/561783595.db2.gz ZUMAKLRWNMHPPX-XIFFEERXSA-N 0 1 579.593 7.175 1 0 KKAFMN NC(N)c1ccc([C@H](NC(=O)c2cccc(Oc3ccccc3)c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026382198 561783621 /nfs/dbraw/zinc/78/36/21/561783621.db2.gz ZUMAKLRWNMHPPX-MGBGTMOVSA-N 0 1 579.593 7.175 1 0 KKAFMN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C1CCCCC1 ZINC000026382889 561783681 /nfs/dbraw/zinc/78/36/81/561783681.db2.gz NNBHDRJEVSYTPI-YLJHYDRVSA-N 0 1 611.835 6.436 1 0 KKAFMN NC(N)c1ccc([C@H](NC(=O)OCc2cccc3ccccc32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026389941 561785542 /nfs/dbraw/zinc/78/55/42/561785542.db2.gz IYXRXSXQZIARNW-WJOKGBTCSA-N 0 1 567.582 7.032 1 0 KKAFMN O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026500006 561795233 /nfs/dbraw/zinc/79/52/33/561795233.db2.gz DMYVDWKBRXSJBY-UHFFFAOYSA-N 0 1 530.640 6.615 1 0 KKAFMN CC(C)CCN(c1ccc(NCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026488511 561792888 /nfs/dbraw/zinc/79/28/88/561792888.db2.gz SJNKYSKKDFWLPR-UMSFTDKQSA-N 0 1 589.869 7.143 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(CC1)CC(=O)c1ccccc1O2)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026489478 561793035 /nfs/dbraw/zinc/79/30/35/561793035.db2.gz CDJNZFFKFZBPER-XMMPIXPASA-N 0 1 553.124 5.634 1 0 KKAFMN CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)ccc4OS(=O)(=O)c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 ZINC000026572898 561798431 /nfs/dbraw/zinc/79/84/31/561798431.db2.gz ZGHZCQLOJDOLOB-UHFFFAOYSA-N 0 1 682.028 8.532 1 0 KKAFMN CCOC/C=C/c1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)c(-c3ccc(N4CCOCC4)cc3)[nH]2)cc1 ZINC000026577829 561802299 /nfs/dbraw/zinc/80/22/99/561802299.db2.gz RDHLHQDARLJTBE-ONEGZZNKSA-N 0 1 550.703 6.134 1 0 KKAFMN CCN(CC)c1ccc(-c2[nH]c(-c3ccc(C=CC(=O)OC)cc3)nc2-c2cccc(N(CC)CC)c2)cc1 ZINC000026578328 561803159 /nfs/dbraw/zinc/80/31/59/561803159.db2.gz SQYUWZZIJYJJGL-PXLXIMEGSA-N 0 1 522.693 7.289 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026578695 561803715 /nfs/dbraw/zinc/80/37/15/561803715.db2.gz XZHVHHOWNXSPBL-XMMPIXPASA-N 0 1 571.570 6.060 1 0 KKAFMN COc1ccc(N(C(=O)CN2c3ccccc3N(c3ccccc3)C(=O)[C@](Cc3n[nH]c4ccccc43)(OC)C2=O)C(C)C)cc1 ZINC000026656478 561809310 /nfs/dbraw/zinc/80/93/10/561809310.db2.gz YXAVZKKJFIOGEL-PSXMRANNSA-N 0 1 617.706 5.652 1 0 KKAFMN CC(C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)c2cccc3nc[nH]c32)cc1 ZINC000026639273 561806299 /nfs/dbraw/zinc/80/62/99/561806299.db2.gz RAXQOJHFUKWJAI-XMMPIXPASA-N 0 1 540.451 5.776 1 0 KKAFMN CC(C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CCNC(=O)c2cccc3nc[nH]c32)cc1 ZINC000026645300 561807337 /nfs/dbraw/zinc/80/73/37/561807337.db2.gz CBVQKVAZAIXBGZ-RUZDIDTESA-N 0 1 554.478 5.818 1 0 KKAFMN O=S(=O)(c1ccc(NCCc2ccc(Cl)cc2Cl)cc1)N(Cc1cnc[nH]1)CC1CCCCC1 ZINC000026664624 561810933 /nfs/dbraw/zinc/81/09/33/561810933.db2.gz CRPHSWMBRLUAQT-UHFFFAOYSA-N 0 1 521.514 6.142 1 0 KKAFMN O=C([O-])Cc1ccc(CCCC2(O)CCN(C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026750731 561819660 /nfs/dbraw/zinc/81/96/60/561819660.db2.gz IMCPBPJBIKCDDJ-AJQTZOPKSA-N 0 1 532.769 5.759 1 0 KKAFMN O=C([O-])Cc1ccc(CCCC2(O)CCN(C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026750731 561819662 /nfs/dbraw/zinc/81/96/62/561819662.db2.gz IMCPBPJBIKCDDJ-AJQTZOPKSA-N 0 1 532.769 5.759 1 0 KKAFMN O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(CC4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026838385 561825038 /nfs/dbraw/zinc/82/50/38/561825038.db2.gz DDSLRSIEDFCEEP-CMYVPTINSA-N 0 1 562.113 7.663 1 0 KKAFMN CC(C)(Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 ZINC000026982198 561831476 /nfs/dbraw/zinc/83/14/76/561831476.db2.gz PMGGRLQMDMDZDE-BHVANESWSA-N 0 1 673.814 5.993 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCCc1ccccc1 ZINC000026985429 561831898 /nfs/dbraw/zinc/83/18/98/561831898.db2.gz ATVSMGGOHDCRCI-LGXAAPQCSA-N 0 1 623.885 5.471 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCCc1ccccc1 ZINC000026985429 561831899 /nfs/dbraw/zinc/83/18/99/561831899.db2.gz ATVSMGGOHDCRCI-LGXAAPQCSA-N 0 1 623.885 5.471 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000026992439 561832620 /nfs/dbraw/zinc/83/26/20/561832620.db2.gz VDXVPCVHAVELKE-ZIINUWHCSA-N 0 1 692.923 5.933 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000026992439 561832621 /nfs/dbraw/zinc/83/26/21/561832621.db2.gz VDXVPCVHAVELKE-ZIINUWHCSA-N 0 1 692.923 5.933 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(-c2ccccc2)cc1 ZINC000026997937 561833564 /nfs/dbraw/zinc/83/35/64/561833564.db2.gz RARYRWTWIMZZDM-SKCOFGHQSA-N 0 1 685.956 7.096 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CSCc1ccc(-c2ccccc2)cc1 ZINC000026997937 561833565 /nfs/dbraw/zinc/83/35/65/561833565.db2.gz RARYRWTWIMZZDM-SKCOFGHQSA-N 0 1 685.956 7.096 1 0 KKAFMN CCc1ccccc1[C@H](NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1C ZINC000027196029 561844243 /nfs/dbraw/zinc/84/42/43/561844243.db2.gz VRQCDTCXZAZNSU-MGCMMHMJSA-N 0 1 606.719 6.042 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCCSc1ccccn1 ZINC000027102487 561839171 /nfs/dbraw/zinc/83/91/71/561839171.db2.gz SQVHGRVONUSHGR-YDPTYEFTSA-N 0 1 692.927 5.357 1 0 KKAFMN C[C@@H](C[C@H](CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027179900 561841637 /nfs/dbraw/zinc/84/16/37/561841637.db2.gz ONTDQIVDLLQOGA-FIBWVYCGSA-N 0 1 519.751 6.263 1 0 KKAFMN CN(C)c1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027189710 561843296 /nfs/dbraw/zinc/84/32/96/561843296.db2.gz LFBIGQYVSBGFCA-UHFFFAOYSA-N 0 1 622.741 6.905 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000027198406 561844693 /nfs/dbraw/zinc/84/46/93/561844693.db2.gz MRBWXOFHOJHYOZ-DFRCUKIOSA-N 0 1 578.665 5.365 1 0 KKAFMN CSCC[C@H](NC(=O)c1ccc(C[N@H+](Cc2cncs2)Cc2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027199080 561844815 /nfs/dbraw/zinc/84/48/15/561844815.db2.gz LEUUVBKXNREKNE-LJAQVGFWSA-N 0 1 559.757 6.257 1 0 KKAFMN CSCC[C@H](NC(=O)c1ccc(C[N@@H+](Cc2cncs2)Cc2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027199080 561844816 /nfs/dbraw/zinc/84/48/16/561844816.db2.gz LEUUVBKXNREKNE-LJAQVGFWSA-N 0 1 559.757 6.257 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@H](c2ccccc2)C(C)(C)C)cc1 ZINC000027199886 561844960 /nfs/dbraw/zinc/84/49/60/561844960.db2.gz NSVNTHSZOXQBPE-UDKDNODWSA-N 0 1 544.648 5.169 1 0 KKAFMN Cc1cc(NC(=O)CCc2ccc3nc(-c4ccc(Br)s4)[nH]c3c2)ccc1N1CCOCC1=O ZINC000027201406 561845224 /nfs/dbraw/zinc/84/52/24/561845224.db2.gz NDBXXNQRXRYAOT-UHFFFAOYSA-N 0 1 539.455 5.297 1 0 KKAFMN CCc1ccccc1[C@@H](NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OCCOC(C)C)cc1)c1ccccc1C ZINC000027204113 561845545 /nfs/dbraw/zinc/84/55/45/561845545.db2.gz ITIIXFMHUJLFHC-BUNOKHKNSA-N 0 1 678.826 6.837 1 0 KKAFMN CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)CCc2ccccn2)c(=O)c(C(=O)NCCCc2ccccc2)cn3Cc2ccccc2F)cc1 ZINC000027331187 561855045 /nfs/dbraw/zinc/85/50/45/561855045.db2.gz VCLRZYGHUPYVKQ-UHFFFAOYSA-N 0 1 712.870 7.126 1 0 KKAFMN COc1ccccc1[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccccc2)CC1 ZINC000027518519 561862391 /nfs/dbraw/zinc/86/23/91/561862391.db2.gz HWAOAHKCJZNXSB-RUZDIDTESA-N 0 1 580.569 6.116 1 0 KKAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(COC(=S)N(C)C)c2C)c1Cl ZINC000027521620 561864166 /nfs/dbraw/zinc/86/41/66/561864166.db2.gz DJPQXOAZJOKLTI-UHFFFAOYSA-N 0 1 557.119 5.039 1 0 KKAFMN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)N)c2)C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1 ZINC000027633606 561874103 /nfs/dbraw/zinc/87/41/03/561874103.db2.gz UMLDLWMDFVEGKD-NHZFLZHXSA-N 0 1 675.940 5.417 1 0 KKAFMN CC(=O)NC1(c2ccccc2)CCN(C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027621302 561872550 /nfs/dbraw/zinc/87/25/50/561872550.db2.gz ASSBEMCEDOONKS-YTTGMZPUSA-N 0 1 597.631 5.465 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3n[nH]cc3C(=O)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028008919 561896100 /nfs/dbraw/zinc/89/61/00/561896100.db2.gz DVADDWCVKWRTAC-QTKNLHBISA-N 0 1 554.735 5.569 1 0 KKAFMN CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013621 561896841 /nfs/dbraw/zinc/89/68/41/561896841.db2.gz RODLAWWELODJBV-HYRLGQOJSA-N 0 1 552.779 6.169 1 0 KKAFMN CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013621 561896842 /nfs/dbraw/zinc/89/68/42/561896842.db2.gz RODLAWWELODJBV-HYRLGQOJSA-N 0 1 552.779 6.169 1 0 KKAFMN CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014160 561896994 /nfs/dbraw/zinc/89/69/94/561896994.db2.gz QIEIGBFFSMMDGS-HMQVCXRFSA-N 0 1 654.793 7.580 1 0 KKAFMN CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014160 561896995 /nfs/dbraw/zinc/89/69/95/561896995.db2.gz QIEIGBFFSMMDGS-HMQVCXRFSA-N 0 1 654.793 7.580 1 0 KKAFMN CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015684 561897325 /nfs/dbraw/zinc/89/73/25/561897325.db2.gz HLXHQRLDYFRWRZ-OBAPADDSSA-N 0 1 622.776 6.840 1 0 KKAFMN CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015684 561897326 /nfs/dbraw/zinc/89/73/26/561897326.db2.gz HLXHQRLDYFRWRZ-OBAPADDSSA-N 0 1 622.776 6.840 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028021356 561898497 /nfs/dbraw/zinc/89/84/97/561898497.db2.gz OYTNIRQQOVWLED-NGZLLANBSA-N 0 1 618.838 6.814 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028021356 561898499 /nfs/dbraw/zinc/89/84/99/561898499.db2.gz OYTNIRQQOVWLED-NGZLLANBSA-N 0 1 618.838 6.814 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028095094 561900636 /nfs/dbraw/zinc/90/06/36/561900636.db2.gz MLKJWAJODRUMOO-CRJIABDTSA-N 0 1 700.921 6.860 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028095094 561900637 /nfs/dbraw/zinc/90/06/37/561900637.db2.gz MLKJWAJODRUMOO-CRJIABDTSA-N 0 1 700.921 6.860 1 0 KKAFMN CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028099268 561901272 /nfs/dbraw/zinc/90/12/72/561901272.db2.gz DKLYXIOKIUWOPO-XKYGAVHWSA-N 0 1 632.865 7.206 1 0 KKAFMN CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028099268 561901274 /nfs/dbraw/zinc/90/12/74/561901274.db2.gz DKLYXIOKIUWOPO-XKYGAVHWSA-N 0 1 632.865 7.206 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028101908 561901641 /nfs/dbraw/zinc/90/16/41/561901641.db2.gz KXTISGVXSYBLGP-KLTPPHAJSA-N 0 1 626.764 6.629 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028101908 561901643 /nfs/dbraw/zinc/90/16/43/561901643.db2.gz KXTISGVXSYBLGP-KLTPPHAJSA-N 0 1 626.764 6.629 1 0 KKAFMN CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000028138106 561907053 /nfs/dbraw/zinc/90/70/53/561907053.db2.gz MHVZXSDEYRUEFS-UHFFFAOYSA-N 0 1 526.814 8.417 1 0 KKAFMN CCNC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028245484 561910744 /nfs/dbraw/zinc/91/07/44/561910744.db2.gz QXPNCZJTKXSGQY-UHFFFAOYSA-N 0 1 665.766 6.981 1 0 KKAFMN OC(c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)(C(F)(F)F)C(F)(F)F ZINC000028362234 561917005 /nfs/dbraw/zinc/91/70/05/561917005.db2.gz AJGJMWUDDSWHOG-UHFFFAOYSA-N 0 1 543.916 8.022 1 0 KKAFMN COc1cc2c(cc1OCCCCCOc1ccc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028386488 561921249 /nfs/dbraw/zinc/92/12/49/561921249.db2.gz XDNDFQOESJDNTO-MHZLTWQESA-N 0 1 622.770 5.939 1 0 KKAFMN COc1cccc(OC)c1CC(=O)N1CC[C@@H](C)c2cccc(CCN3CCN(c4nsc5ccccc54)CC3)c21 ZINC000028527654 561932590 /nfs/dbraw/zinc/93/25/90/561932590.db2.gz HWPIJKYZIWLKPB-HSZRJFAPSA-N 0 1 570.759 5.761 1 0 KKAFMN O=C1N(CCN(CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccc(Cl)cc2)CCN1c1ccncc1 ZINC000028476013 561928187 /nfs/dbraw/zinc/92/81/87/561928187.db2.gz BPOYHJWKBMNMQM-UHFFFAOYSA-N 0 1 561.513 6.879 1 0 KKAFMN Cc1ccccc1-c1nc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570987 561939151 /nfs/dbraw/zinc/93/91/51/561939151.db2.gz XBFMATCYYBERSR-UHFFFAOYSA-N 0 1 579.589 6.182 1 0 KKAFMN O=C([O-])[C@@H]1CCC[N@@H+](CCC=C(c2sccc2COc2cccc3ccccc32)c2sccc2COc2cccc3ccccc32)C1 ZINC000028564892 561935820 /nfs/dbraw/zinc/93/58/20/561935820.db2.gz FWJQTNYFFOTNHO-SSEXGKCCSA-N 0 1 659.873 9.892 1 0 KKAFMN COc1cccc2c1CCCC(=O)N2CCCCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1 ZINC000028568379 561937281 /nfs/dbraw/zinc/93/72/81/561937281.db2.gz ZXIPYIPSODOSDY-UHFFFAOYSA-N 0 1 533.639 5.073 1 0 KKAFMN Cc1ccccc1-c1ccc(N2CCN(C)CC2)nc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570649 561938995 /nfs/dbraw/zinc/93/89/95/561938995.db2.gz OSYVUOXSTALYLM-UHFFFAOYSA-N 0 1 550.547 6.119 1 0 KKAFMN COc1cccc(CC(=O)N2CC[C@@H](C)c3cccc(CCN4CCN(c5nsc6ccccc65)CC4)c32)c1 ZINC000028528460 561932997 /nfs/dbraw/zinc/93/29/97/561932997.db2.gz LHFSUAZTBWHHAU-HSZRJFAPSA-N 0 1 540.733 5.753 1 0 KKAFMN COc1cccc(CC(=O)N2CC[C@H](C)c3cccc(CCN4CCN(c5nsc6ccccc65)CC4)c32)c1 ZINC000028528461 561933001 /nfs/dbraw/zinc/93/30/01/561933001.db2.gz LHFSUAZTBWHHAU-QHCPKHFHSA-N 0 1 540.733 5.753 1 0 KKAFMN CC(=O)Nc1nc([C@@H](CCN2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702745 561947215 /nfs/dbraw/zinc/94/72/15/561947215.db2.gz JRZDQMSADLMGPH-HSZRJFAPSA-N 0 1 627.655 6.060 1 0 KKAFMN O=C1Cc2c(-c3ccc(OCCCCN4CCOCC4)cc3)cc(-c3cccc(Cl)c3)nc2-c2ccccc2N1 ZINC000028704151 561948435 /nfs/dbraw/zinc/94/84/35/561948435.db2.gz IRTQHSMDQPSFKP-UHFFFAOYSA-N 0 1 554.090 6.722 1 0 KKAFMN C[C@H]1CN(CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816517 561964195 /nfs/dbraw/zinc/96/41/95/561964195.db2.gz SECUIVXEQRIXKP-FESMNKHTSA-N 0 1 564.123 5.316 1 0 KKAFMN Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028821088 561966184 /nfs/dbraw/zinc/96/61/84/561966184.db2.gz LUOIVKZEIDFCGZ-FSEITFBQSA-N 0 1 705.856 5.053 1 0 KKAFMN COC(=O)[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000028824801 561969991 /nfs/dbraw/zinc/96/99/91/561969991.db2.gz WPVHSRPUAPKWSP-UQXBXQHDSA-N 0 1 539.598 5.258 1 0 KKAFMN O=C(Nc1ccc(-c2nc3cnc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000028866700 561973574 /nfs/dbraw/zinc/97/35/74/561973574.db2.gz IHJVBJRIDVXFGR-UHFFFAOYSA-N 0 1 549.719 6.935 1 0 KKAFMN FC(F)(F)c1cccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccccc2)c1 ZINC000028953873 561982614 /nfs/dbraw/zinc/98/26/14/561982614.db2.gz NOHGGUSYSFRMJV-UHFFFAOYSA-N 0 1 517.477 6.503 1 0 KKAFMN NC(=O)c1ccc2[nH]c(-c3ccc(OCCC4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)cc3)nc2c1 ZINC000028960923 561984150 /nfs/dbraw/zinc/98/41/50/561984150.db2.gz UYXMRKMZCVFDHO-UHFFFAOYSA-N 0 1 523.464 6.317 1 0 KKAFMN Nc1ccccc1NC(=O)c1cc2ccc([C@H](NCCc3ccccn3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976376 561986839 /nfs/dbraw/zinc/98/68/39/561986839.db2.gz ZSHGBUGJEFDKCS-LJAQVGFWSA-N 0 1 535.673 5.321 1 0 KKAFMN Nc1ccccc1NC(=O)c1cc2ccc([C@H](C(=O)NCc3ccccc3)N3CCN(CCc4ccccc4)CC3)cc2s1 ZINC000028976422 561986876 /nfs/dbraw/zinc/98/68/76/561986876.db2.gz QVYBBNKTNFSOSC-UUWRZZSWSA-N 0 1 603.792 5.954 1 0 KKAFMN COc1ccc2[nH]c(-c3ccc(OCCCCCOc4ccc(-c5nc6ccc(OC)cc6[nH]5)cc4)cc3)nc2c1 ZINC000029044752 561992285 /nfs/dbraw/zinc/99/22/85/561992285.db2.gz BZXAUEHKGXIWCI-UHFFFAOYSA-N 0 1 548.643 7.419 1 0 KKAFMN C[C@H]1C[N@@H+](CCC(=O)N(CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000029126424 561998715 /nfs/dbraw/zinc/99/87/15/561998715.db2.gz HLAFXCFCWUNESK-VYVPPWFUSA-N 0 1 528.693 5.149 1 0 KKAFMN CCc1nc2cc3c(cc2s1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126802 561998902 /nfs/dbraw/zinc/99/89/02/561998902.db2.gz LJDQESSYTJNKOI-UHFFFAOYSA-N 0 1 528.751 6.094 1 0 KKAFMN CCc1nc2cc3c(c(C)c2o1)CCN([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126989 561999145 /nfs/dbraw/zinc/99/91/45/561999145.db2.gz VNUWHBRXYDCOFA-HXUWFJFHSA-N 0 1 540.737 6.322 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4nc5ccc(C(F)(F)F)cn5c4CC3)n2C)n1 ZINC000029127255 561999684 /nfs/dbraw/zinc/99/96/84/561999684.db2.gz KCLMHEWINSXASY-UHFFFAOYSA-N 0 1 551.642 5.588 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 ZINC000029311014 562012072 /nfs/dbraw/zinc/01/20/72/562012072.db2.gz NETATFMPBITUKO-PMERELPUSA-N 0 1 588.661 5.121 1 0 KKAFMN CCN(CCCCCSc1nc(-c2ccc(SC)cc2)c(-c2ccccc2)[nH]1)c1nc2ccccc2o1 ZINC000029477271 562026548 /nfs/dbraw/zinc/02/65/48/562026548.db2.gz LQJNNFNWQSLYOK-UHFFFAOYSA-N 0 1 528.747 8.396 1 0 KKAFMN CC1=C(C[N@H+]2CCC[C@H]2COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)[C@H]2C(C)=C(OCc3ccccc3)C(C)=C(C)[C@@H]2O1 ZINC000029560614 562033046 /nfs/dbraw/zinc/03/30/46/562033046.db2.gz WVDCGUJDPGZFDC-CUFPPFHBSA-N 0 1 600.781 6.554 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029561048 562033185 /nfs/dbraw/zinc/03/31/85/562033185.db2.gz VDGCNOYTIPMBBA-SHSRKSKBSA-N 0 1 614.808 6.883 1 0 KKAFMN Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029563524 562033769 /nfs/dbraw/zinc/03/37/69/562033769.db2.gz MDPULBLYZQWTKD-WWNPGLIZSA-N 0 1 524.683 5.010 1 0 KKAFMN Cc1oc2c(c1C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029564684 562034073 /nfs/dbraw/zinc/03/40/73/562034073.db2.gz CTXRFUVSISAOKT-FNJJVTQMSA-N 0 1 596.749 7.613 1 0 KKAFMN Cc1oc2c(c1C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029564684 562034075 /nfs/dbraw/zinc/03/40/75/562034075.db2.gz CTXRFUVSISAOKT-FNJJVTQMSA-N 0 1 596.749 7.613 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 ZINC000029566537 562034576 /nfs/dbraw/zinc/03/45/76/562034576.db2.gz VAECPRPRNRFWCH-PMERELPUSA-N 0 1 588.730 5.602 1 0 KKAFMN CC(C)N(c1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1)S(=O)(=O)c1ccccc1 ZINC000032016620 562036848 /nfs/dbraw/zinc/03/68/48/562036848.db2.gz NXKGMNJCAIWYJW-MHZLTWQESA-N 0 1 521.679 6.150 1 0 KKAFMN c1nc2cc(-c3nc4ccc(-c5nc6cc(-c7ccccc7)c(-c7ccccc7)cc6[nH]5)cc4[nH]3)ccc2[nH]1 ZINC000033973928 562037850 /nfs/dbraw/zinc/03/78/50/562037850.db2.gz FUJIASLXOUZBCY-UHFFFAOYSA-N 0 1 502.581 7.984 1 0 KKAFMN c1nc2ccc(-c3nc4cc(-c5nc6cc(-c7ccccc7)c(-c7ccccc7)cc6[nH]5)ccc4[nH]3)cc2[nH]1 ZINC000033973928 562037851 /nfs/dbraw/zinc/03/78/51/562037851.db2.gz FUJIASLXOUZBCY-UHFFFAOYSA-N 0 1 502.581 7.984 1 0 KKAFMN c1nc2ccc(-c3nc4ccc(-c5nc6cc(-c7ccccc7)c(-c7ccccc7)cc6[nH]5)cc4[nH]3)cc2[nH]1 ZINC000033973928 562037852 /nfs/dbraw/zinc/03/78/52/562037852.db2.gz FUJIASLXOUZBCY-UHFFFAOYSA-N 0 1 502.581 7.984 1 0 KKAFMN O=C(NCCCCN1CCN(c2cccc(F)c2F)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000034643981 562039612 /nfs/dbraw/zinc/03/96/12/562039612.db2.gz DHFUVVTYPXJZAP-UHFFFAOYSA-N 0 1 503.637 5.181 1 0 KKAFMN CCCCN(CCCC)C(=O)[C@H](C)[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000036248022 562052285 /nfs/dbraw/zinc/05/22/85/562052285.db2.gz MUDAUNJNTOHWSU-AJMXSWDOSA-N 0 1 524.658 5.083 1 0 KKAFMN CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CCN(CCOc2ccc(Cl)cc2)C1 ZINC000036351482 562058376 /nfs/dbraw/zinc/05/83/76/562058376.db2.gz NEDFFGGGMNIQHU-WDYNHAJCSA-N 0 1 629.123 6.377 1 0 KKAFMN COc1ccc(OC[C@@H]2Cc3c(c4c(nc3-c3ccccc3)CCN(CCOc3ccccc3)C4)CO2)cc1 ZINC000036384598 562060110 /nfs/dbraw/zinc/06/01/10/562060110.db2.gz RFICEULJUUXYDG-NDEPHWFRSA-N 0 1 522.645 5.715 1 0 KKAFMN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCN(c4ccccc4)CC3)ccc2c1 ZINC000038149725 562066243 /nfs/dbraw/zinc/06/62/43/562066243.db2.gz CSIWZRJTSWJCKM-UHFFFAOYSA-N 0 1 564.114 6.638 1 0 KKAFMN C[C@H](O)c1cnc(N2CCN(c3nc4cc(C(F)(F)F)cc(-c5cc(F)c(F)c(F)c5)c4[nH]3)[C@H](C)C2)c(Cl)c1 ZINC000038157612 562069229 /nfs/dbraw/zinc/06/92/29/562069229.db2.gz MVTYPGQUVNWNEB-OLZOCXBDSA-N 0 1 569.937 6.483 1 0 KKAFMN COc1ccc(-c2cc(C(F)(F)F)cc3nc(N4CCN(c5ncccc5C(F)(F)F)CC4)[nH]c32)cn1 ZINC000038157641 562069301 /nfs/dbraw/zinc/06/93/01/562069301.db2.gz JSUBNRPLTMRUTD-UHFFFAOYSA-N 0 1 522.453 5.393 1 0 KKAFMN CN1CCN(CCCN2c3ccc(I)cc3C(=O)N(Cc3ccc(Cl)cc3N)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 ZINC000038377663 562071641 /nfs/dbraw/zinc/07/16/41/562071641.db2.gz SZOYOLFYNBXVHW-NDEPHWFRSA-N 0 1 692.429 5.548 1 0 KKAFMN CSCN1C(=O)CC[C@@](c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1=O ZINC000040425006 562076415 /nfs/dbraw/zinc/07/64/15/562076415.db2.gz CZSCZZVPYIQJLF-RUZDIDTESA-N 0 1 501.490 5.069 1 0 KKAFMN COc1cccc(NC(=O)N2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000040576964 562078395 /nfs/dbraw/zinc/07/83/95/562078395.db2.gz LSCLPSXVVJBKPL-PKNBQFBNSA-N 0 1 519.473 5.151 1 0 KKAFMN COC(=O)[C@](CCCN1CCN(Cc2cccc(F)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040878163 562082247 /nfs/dbraw/zinc/08/22/47/562082247.db2.gz NTMYREWWPOLSFO-SANMLTNESA-N 0 1 505.472 5.253 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc2ccccc2c1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000040847280 562080446 /nfs/dbraw/zinc/08/04/46/562080446.db2.gz SQGRDSAJNUBRNE-WJOKGBTCSA-N 0 1 505.021 5.996 1 0 KKAFMN CN(CCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1)CC(=O)Nc1ccc(Oc2ccc(-c3ncco3)cc2)cc1 ZINC000040896361 562083020 /nfs/dbraw/zinc/08/30/20/562083020.db2.gz DIXRUXHIUXOUQG-UHFFFAOYSA-N 0 1 528.609 5.225 1 0 KKAFMN O=C(C=C(O)C1=CCc2[nH]ccc2[C@H]1CCCCc1cccc(O)c1)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000103531564 560051001 /nfs/dbraw/zinc/05/10/01/560051001.db2.gz JAFWRECIIHLXEQ-PQHLKRTFSA-N 0 1 540.680 6.834 1 0 biogenic,in-vitro KKAFMN COc1ccc(CN2CCC(=Cc3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)CC2)cc1 ZINC000043075284 562645649 /nfs/dbraw/zinc/64/56/49/562645649.db2.gz GHWZBMFDYTUAOH-OAQYLSRUSA-N 0 1 519.483 6.628 1 0 KKAFMN C[C@H]1CCCN1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br ZINC000043079506 562645809 /nfs/dbraw/zinc/64/58/09/562645809.db2.gz VLJYRARAGISBAK-AWEZNQCLSA-N 0 1 516.299 5.109 1 0 KKAFMN O=C([O-])CC[N@H+]1CCc2c(c3ccccc3n2Cc2ccc3oc(-c4ccc5ccc(Cl)cc5n4)cc3c2)C1 ZINC000043122534 562646200 /nfs/dbraw/zinc/64/62/00/562646200.db2.gz ABOXSYZUZSDMTI-UHFFFAOYSA-N 0 1 536.031 7.137 1 0 KKAFMN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000043409102 562648241 /nfs/dbraw/zinc/64/82/41/562648241.db2.gz BTQCYONFXSTTLB-UHFFFAOYSA-N 0 1 542.503 6.622 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)on3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417922 562657203 /nfs/dbraw/zinc/65/72/03/562657203.db2.gz SQNGVTMRTJBMIQ-KCTCJIHVSA-N 0 1 541.736 6.194 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)on3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417922 562657204 /nfs/dbraw/zinc/65/72/04/562657204.db2.gz SQNGVTMRTJBMIQ-KCTCJIHVSA-N 0 1 541.736 6.194 1 0 KKAFMN CN(CCC[N@@H+](C)Cc1ccc(C(=O)[O-])c(Br)c1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000044431306 562657854 /nfs/dbraw/zinc/65/78/54/562657854.db2.gz PMRBAAVZKVIYBR-UHFFFAOYSA-N 0 1 540.458 5.332 1 0 KKAFMN O=C(NCc1cccc(F)c1)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045168024 562658067 /nfs/dbraw/zinc/65/80/67/562658067.db2.gz CYPITFUWVXRFOW-UHFFFAOYSA-N 0 1 504.487 7.377 1 0 KKAFMN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2cccc(O)c2)CC1 ZINC000045169177 562658192 /nfs/dbraw/zinc/65/81/92/562658192.db2.gz ILWGLFFYSWUBOQ-IGMDOQDBSA-N 0 1 529.468 5.052 1 0 KKAFMN O=C(NC1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000045195992 562658920 /nfs/dbraw/zinc/65/89/20/562658920.db2.gz PCWKRRQPJJUYEB-UHFFFAOYSA-N 0 1 502.558 5.600 1 0 KKAFMN Cc1ccc(NC(=O)N2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000045196417 562658959 /nfs/dbraw/zinc/65/89/59/562658959.db2.gz NHXGATUMJQDBET-DHZHZOJOSA-N 0 1 517.501 5.760 1 0 KKAFMN CC(C)(C)c1ccc(C[NH2+]CC(C)(C)c2nc(-c3ccc(Cl)c([O-])c3)c(-c3ccnc(N)n3)[nH]2)cc1 ZINC000045201871 562659106 /nfs/dbraw/zinc/65/91/06/562659106.db2.gz WWHUJHHVOYMWPH-UHFFFAOYSA-N 0 1 505.066 5.840 1 0 KKAFMN CC(C)(C)c1ccc(C[NH2+]CC(C)(C)c2nc(-c3ccnc(N)n3)c(-c3ccc(Cl)c([O-])c3)[nH]2)cc1 ZINC000045201871 562659107 /nfs/dbraw/zinc/65/91/07/562659107.db2.gz WWHUJHHVOYMWPH-UHFFFAOYSA-N 0 1 505.066 5.840 1 0 KKAFMN CN1CCC(N(Cc2ccc(-c3cnc(NCc4ccccc4)nc3)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000045202849 562659203 /nfs/dbraw/zinc/65/92/03/562659203.db2.gz JSCHBSXMEYADCL-UHFFFAOYSA-N 0 1 527.694 5.041 1 0 KKAFMN O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000045226960 562659361 /nfs/dbraw/zinc/65/93/61/562659361.db2.gz SNSDLUATNFJJFS-AWNIVKPZSA-N 0 1 522.999 5.508 1 0 KKAFMN CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)cn1 ZINC000045227625 562659427 /nfs/dbraw/zinc/65/94/27/562659427.db2.gz UXNRAAHUMWTDCP-UHFFFAOYSA-N 0 1 515.495 6.521 1 0 KKAFMN O=C(NCCN1CCC(c2ncc(-c3ccccc3)o2)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000045228995 562659458 /nfs/dbraw/zinc/65/94/58/562659458.db2.gz ROOGJQWECNCYNL-UHFFFAOYSA-N 0 1 529.040 5.857 1 0 KKAFMN COc1ccccc1NC(=O)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045228471 562659488 /nfs/dbraw/zinc/65/94/88/562659488.db2.gz VPNWVWRWJCKZNQ-UHFFFAOYSA-N 0 1 502.496 7.568 1 0 KKAFMN NC(=O)c1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)c1 ZINC000045238504 562659679 /nfs/dbraw/zinc/65/96/79/562659679.db2.gz LGUVHJPXFHTBHV-UHFFFAOYSA-N 0 1 500.480 6.267 1 0 KKAFMN CN1c2ccc(OC(=O)Nc3ccc(-c4ccccc4)cc3)cc2[C@]2(C)CCN(CCc3ccccc3)[C@H]12 ZINC000049034256 562663452 /nfs/dbraw/zinc/66/34/52/562663452.db2.gz FPOQWEVPCLQMKQ-WEZIJMHWSA-N 0 1 503.646 6.947 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)cc(-c2ccccc2)n1N1CCCCC1 ZINC000049054310 562663876 /nfs/dbraw/zinc/66/38/76/562663876.db2.gz WKVATBBYNLTZNW-UHFFFAOYSA-N 0 1 513.730 5.144 1 0 KKAFMN O=C(Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)Nc1ccc(F)c(F)c1F ZINC000049605201 562665517 /nfs/dbraw/zinc/66/55/17/562665517.db2.gz OZLKEBUPRMICTK-UHFFFAOYSA-N 0 1 526.440 7.977 1 0 KKAFMN CC(C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000049605438 562665836 /nfs/dbraw/zinc/66/58/36/562665836.db2.gz KQSJPNLOFLUBSS-IBGZPJMESA-N 0 1 558.582 5.293 1 0 KKAFMN O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049625799 562666877 /nfs/dbraw/zinc/66/68/77/562666877.db2.gz XUTWTQIWBIHHNQ-IZZDOVSWSA-N 0 1 557.444 6.162 1 0 KKAFMN COc1ccc(NC(=O)c2ccc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)s2)cc1N1CCN(C)CC1 ZINC000049626418 562667164 /nfs/dbraw/zinc/66/71/64/562667164.db2.gz MCUTTZDEJJQGGV-UHFFFAOYSA-N 0 1 610.784 5.984 1 0 KKAFMN O=C([O-])[C@@H]1CCCc2c(OCCC[N@H+](Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21 ZINC000049695484 562670616 /nfs/dbraw/zinc/67/06/16/562670616.db2.gz OHQDOFBGVQTUAB-SSEXGKCCSA-N 0 1 622.127 8.967 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(C2CCCCC2)[nH]1)C(=O)NCc1ccccc1 ZINC000049723084 562672895 /nfs/dbraw/zinc/67/28/95/562672895.db2.gz IFZVJMRCMCQRBR-KYJUHHDHSA-N 0 1 612.775 5.418 1 0 KKAFMN Cn1c2ccccc2c2c1CCN(CC[C@@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO1)C2 ZINC000049744821 562673519 /nfs/dbraw/zinc/67/35/19/562673519.db2.gz IQXWGZKFNGUKSB-HKBQPEDESA-N 0 1 548.514 6.301 1 0 KKAFMN CC(C)(C)c1ccc(OC(=O)c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]3CCN(Cc4ccc(O)cc4)C3)cc2)cc1 ZINC000049744930 562673537 /nfs/dbraw/zinc/67/35/37/562673537.db2.gz CIPFNSORHWWFGG-HKFHRXRESA-N 0 1 650.776 5.738 1 0 KKAFMN O=C(C[C@H]1NC(=O)c2ccccc21)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000049745091 562673661 /nfs/dbraw/zinc/67/36/61/562673661.db2.gz KCANMPQLPSCDHR-RUZDIDTESA-N 0 1 526.518 6.729 1 0 KKAFMN O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000049756016 562674785 /nfs/dbraw/zinc/67/47/85/562674785.db2.gz DJLKNUBTQXXGKD-UHFFFAOYSA-N 0 1 560.645 6.978 1 0 KKAFMN Cc1ccc(-c2[nH]c(C(F)(F)F)nc2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc1 ZINC000049767118 562677384 /nfs/dbraw/zinc/67/73/84/562677384.db2.gz IMPDTSVRTPOJQL-UHFFFAOYSA-N 0 1 532.526 5.955 1 0 KKAFMN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(c5ncccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777228 562679825 /nfs/dbraw/zinc/67/98/25/562679825.db2.gz HYALMZIBFASEJD-LJAQVGFWSA-N 0 1 610.828 5.372 1 0 KKAFMN O=C(N[C@@H](Cc1ccccc1)CN(Cc1cnc[nH]1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049777902 562680669 /nfs/dbraw/zinc/68/06/69/562680669.db2.gz GSCQTFZOCSWXSI-SVBPBHIXSA-N 0 1 645.811 5.200 1 0 KKAFMN Cc1ccc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 ZINC000049780500 562681831 /nfs/dbraw/zinc/68/18/31/562681831.db2.gz YQPHBBQBBMIYLO-UHFFFAOYSA-N 0 1 601.637 5.473 1 0 KKAFMN C[C@@H]1CCC[N@@H+](CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)C1 ZINC000049853699 562689065 /nfs/dbraw/zinc/68/90/65/562689065.db2.gz RCTCDFOAGDHGEB-GDLZYMKVSA-N 0 1 714.328 7.446 1 0 KKAFMN COc1c(Cl)ccnc1CSc1nc2cc(-c3ccc4nc(SCc5nccc(Cl)c5OC)[nH]c4c3)ccc2[nH]1 ZINC000049877700 562690251 /nfs/dbraw/zinc/69/02/51/562690251.db2.gz DZLRXHQEQACWHK-UHFFFAOYSA-N 0 1 609.564 7.805 1 0 KKAFMN COc1c(Cl)ccnc1CSc1nc2ccc(-c3ccc4nc(SCc5nccc(Cl)c5OC)[nH]c4c3)cc2[nH]1 ZINC000049877700 562690252 /nfs/dbraw/zinc/69/02/52/562690252.db2.gz DZLRXHQEQACWHK-UHFFFAOYSA-N 0 1 609.564 7.805 1 0 KKAFMN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c(C)c2)CC1 ZINC000049917553 562693586 /nfs/dbraw/zinc/69/35/86/562693586.db2.gz IXAPGWPWIDFRAP-UHFFFAOYSA-N 0 1 586.058 6.161 1 0 KKAFMN Cc1noc(C)c1-c1cccc(C(=O)NC2CCN(CCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000049917823 562693951 /nfs/dbraw/zinc/69/39/51/562693951.db2.gz XLQDVAPKWHVWFB-UHFFFAOYSA-N 0 1 536.676 5.101 1 0 KKAFMN CC(=O)Nc1ncc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)s1 ZINC000049917836 562694022 /nfs/dbraw/zinc/69/40/22/562694022.db2.gz CUYLDCGSOZLGCU-UHFFFAOYSA-N 0 1 521.524 6.583 1 0 KKAFMN COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000049917898 562694151 /nfs/dbraw/zinc/69/41/51/562694151.db2.gz GSMKYPQKTFSLHP-UHFFFAOYSA-N 0 1 536.676 5.433 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049917904 562694162 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ZINC000053230101 562696701 /nfs/dbraw/zinc/69/67/01/562696701.db2.gz DIDIXNRNEYMTGZ-LJAQVGFWSA-N 0 1 544.740 5.371 1 0 KKAFMN CCCCN1C(=O)[C@@H](CCCC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053244088 562696846 /nfs/dbraw/zinc/69/68/46/562696846.db2.gz UAFMNOKGJKMIFS-WJOKGBTCSA-N 0 1 545.768 6.691 1 0 KKAFMN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Sc3ccccc3)cc1)CC2 ZINC000053243879 562696857 /nfs/dbraw/zinc/69/68/57/562696857.db2.gz ISASJOXLSUCJLQ-LJAQVGFWSA-N 0 1 533.782 6.270 1 0 KKAFMN OCCN1CCN(c2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053295637 562697310 /nfs/dbraw/zinc/69/73/10/562697310.db2.gz PQDYIDKPHBDXOW-UHFFFAOYSA-N 0 1 608.547 5.181 1 0 KKAFMN CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000055646874 562697706 /nfs/dbraw/zinc/69/77/06/562697706.db2.gz RCAXDUZVJIMXJF-UFZHQWOOSA-N 0 1 620.810 6.044 1 0 KKAFMN CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000055646874 562697707 /nfs/dbraw/zinc/69/77/07/562697707.db2.gz RCAXDUZVJIMXJF-UFZHQWOOSA-N 0 1 620.810 6.044 1 0 KKAFMN CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000058485982 562698094 /nfs/dbraw/zinc/69/80/94/562698094.db2.gz SHGYNXXABXGXNI-QIQHJGIESA-N 0 1 703.928 6.289 1 0 investigational KKAFMN COc1cc2c(cc1OC)[C@H](Cc1ccc3ccccc3c1)N([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000058549977 562699140 /nfs/dbraw/zinc/69/91/40/562699140.db2.gz RWSZLMVCERHQGM-BHDXBOSCSA-N 0 1 506.646 6.019 1 0 KKAFMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000058660687 562701418 /nfs/dbraw/zinc/70/14/18/562701418.db2.gz PKLYBOYMHPUXHN-MHZLTWQESA-N 0 1 562.457 5.556 1 0 KKAFMN Cc1ccccc1[C@@H](c1ncccc1C)N(C)C(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061906047 562703004 /nfs/dbraw/zinc/70/30/04/562703004.db2.gz 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ZCWZXRIDERBDQN-NRFANRHFSA-N 0 1 530.544 5.190 1 0 KKAFMN CC(C)(c1ccc(NC(=O)CN2CCCC2)cc1)c1cccc(C(C)(C)c2ccc(NC(=O)CN3CCCC3)cc2)c1 ZINC000066098036 562710871 /nfs/dbraw/zinc/71/08/71/562710871.db2.gz ZZMIUFDQXILGIZ-UHFFFAOYSA-N 0 1 566.790 6.407 1 0 KKAFMN CC(C)[N@@H+](CCN(C)C)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099478 562711103 /nfs/dbraw/zinc/71/11/03/562711103.db2.gz HWQKFAGLCTWEQA-XMMPIXPASA-N 0 1 503.687 6.087 1 0 KKAFMN CC(C)N(CC[NH+](C)C)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099478 562711104 /nfs/dbraw/zinc/71/11/04/562711104.db2.gz HWQKFAGLCTWEQA-XMMPIXPASA-N 0 1 503.687 6.087 1 0 KKAFMN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCCC2(O)CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103542 562711573 /nfs/dbraw/zinc/71/15/73/562711573.db2.gz XJJSTZDQCCHFFI-IUUBXHLCSA-N 0 1 582.623 5.141 1 0 KKAFMN Brc1ccc(-c2nc3ccc(-c4nc5ccc(Oc6ccccc6)cc5[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066251639 562714532 /nfs/dbraw/zinc/71/45/32/562714532.db2.gz ODZYCPVRFIWQQY-UHFFFAOYSA-N 0 1 572.466 8.843 1 0 KKAFMN Fc1ccc2nc(-c3ccc4nc(-c5ccc(Oc6ccccc6)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1 ZINC000066262929 562715555 /nfs/dbraw/zinc/71/55/55/562715555.db2.gz RQAOGINHQHUPRW-UHFFFAOYSA-N 0 1 511.560 8.220 1 0 KKAFMN CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)Nc4ccc(C(N)=O)nc4)c4ccccc4)CC3)c(C3CC3)n2)cc1 ZINC000068149572 562715819 /nfs/dbraw/zinc/71/58/19/562715819.db2.gz DRTARUBCBISVIX-UHFFFAOYSA-N 0 1 655.781 5.320 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccc(C(=O)[O-])c(NC(=O)c4ccc5ccccc5n4)c3)cc1)CC2 ZINC000071295352 562717169 /nfs/dbraw/zinc/71/71/69/562717169.db2.gz AWDIHUWGWJKUFG-UHFFFAOYSA-N 0 1 630.701 6.056 1 0 KKAFMN Cc1ccc2nc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]c2c1 ZINC000071296231 562717459 /nfs/dbraw/zinc/71/74/59/562717459.db2.gz XZZSNRPZNFQNIX-UHFFFAOYSA-N 0 1 563.434 8.046 1 0 KKAFMN Cc1nc(N2CCN(C)CC2)cc(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071329424 562718882 /nfs/dbraw/zinc/71/88/82/562718882.db2.gz GVBGRESFEXAWSN-UHFFFAOYSA-N 0 1 536.520 5.776 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000072104204 562720402 /nfs/dbraw/zinc/72/04/02/562720402.db2.gz BXFZIXJRVHHTCE-DOKVQHETSA-N 0 1 678.336 6.448 3 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000072104204 562720403 /nfs/dbraw/zinc/72/04/03/562720403.db2.gz BXFZIXJRVHHTCE-DOKVQHETSA-N 0 1 678.336 6.448 3 0 KKAFMN CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1OC ZINC000072105262 562720781 /nfs/dbraw/zinc/72/07/81/562720781.db2.gz DEPFELXILGDVCO-UHFFFAOYSA-N 0 1 524.109 5.046 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000072105449 562720822 /nfs/dbraw/zinc/72/08/22/562720822.db2.gz PSJSZKOMQQEERG-UHFFFAOYSA-N 0 1 525.672 5.546 1 0 KKAFMN CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCc2ccccn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110846 562721839 /nfs/dbraw/zinc/72/18/39/562721839.db2.gz AAAOTGDHZDZLFN-UHFFFAOYSA-N 0 1 682.753 5.960 1 0 KKAFMN C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112721 562722168 /nfs/dbraw/zinc/72/21/68/562722168.db2.gz RBGMXQYBCHIQGD-FYCJCQSNSA-N 0 1 624.810 6.132 1 0 KKAFMN CC[N@@H+]1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 ZINC000072142829 562729640 /nfs/dbraw/zinc/72/96/40/562729640.db2.gz DCZQYXXNARKPSE-IQLGSKCJSA-N 0 1 573.690 5.691 3 0 KKAFMN CCN1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 ZINC000072142829 562729641 /nfs/dbraw/zinc/72/96/41/562729641.db2.gz DCZQYXXNARKPSE-IQLGSKCJSA-N 0 1 573.690 5.691 3 0 KKAFMN COc1c(C)cnc(C[S@](=O)c2nc3cc(NC(=O)COCc4ccccc4)c(N4CCCCC4)cc3[nH]2)c1C ZINC000072174370 562731102 /nfs/dbraw/zinc/73/11/02/562731102.db2.gz WLSBVKLTLVZAMQ-RRHRGVEJSA-N 0 1 561.708 5.037 1 0 KKAFMN CCCN(CCC)c1cc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2cc1NC(=O)c1ccco1 ZINC000072174784 562731132 /nfs/dbraw/zinc/73/11/32/562731132.db2.gz MWBJZIYFEFYAFE-QNGWXLTQSA-N 0 1 523.659 5.363 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)c3)cc2C(F)(F)F)CC1 ZINC000072317170 562733189 /nfs/dbraw/zinc/73/31/89/562733189.db2.gz ASNRYHMAHRHWQB-UHFFFAOYSA-N 0 1 604.677 6.295 1 0 KKAFMN O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318474 562733277 /nfs/dbraw/zinc/73/32/77/562733277.db2.gz WOSGPVNODROINW-FCEKVYKBSA-N 0 1 569.490 6.218 1 0 KKAFMN C[N@@H+]([C@@H](C(=O)[O-])C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)C1CCC(c2c[nH]c3ccccc32)CC1 ZINC000073195683 562734961 /nfs/dbraw/zinc/73/49/61/562734961.db2.gz HHBFMMLTWZSYIK-FSOYUZNWSA-N 0 1 553.625 5.948 1 0 KKAFMN Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cc(O)c(Cc3cccc(F)c3C)cc2n1-c1ccccc1 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561808038 /nfs/dbraw/zinc/80/80/38/561808038.db2.gz UJGYNDPRZZIZJY-LDLOPFEMSA-N 0 1 622.900 5.131 1 0 KKAFMN CN(C[C@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000026652197 561808628 /nfs/dbraw/zinc/80/86/28/561808628.db2.gz WJWXIAWSIAEAJJ-LJJVSIPNSA-N 0 1 557.181 5.289 1 0 KKAFMN O=C([O-])[C@@H](c1ccccc1)[N@@H+]1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823837 561821617 /nfs/dbraw/zinc/82/16/17/561821617.db2.gz HIMJKDLIRVULLJ-OJDZSJEKSA-N 0 1 512.694 5.378 1 0 KKAFMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823837 561821618 /nfs/dbraw/zinc/82/16/18/561821618.db2.gz HIMJKDLIRVULLJ-OJDZSJEKSA-N 0 1 512.694 5.378 1 0 KKAFMN O=C(c1cc(-c2ccc(F)cc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2)N1CCNCC1 ZINC000026669746 561812075 /nfs/dbraw/zinc/81/20/75/561812075.db2.gz YUFBQMLHYDMCTI-UHFFFAOYSA-N 0 1 533.818 5.860 1 0 KKAFMN CCOC(=O)C1=C(COCCn2c(C)nc(C)c2C)NC(C)=C(C(=O)Nc2cccc(C)n2)[C@@H]1c1ccccc1Cl 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ZINC000028093198 561900400 /nfs/dbraw/zinc/90/04/00/561900400.db2.gz FQDAIOFBLYFMHL-DCLZWXHWSA-N 0 1 622.829 7.304 1 0 KKAFMN CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(OC)cc1 ZINC000028133486 561906223 /nfs/dbraw/zinc/90/62/23/561906223.db2.gz MIRVXAPXRDRQMT-UHFFFAOYSA-N 0 1 538.850 8.287 1 0 KKAFMN CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000028257314 561911617 /nfs/dbraw/zinc/91/16/17/561911617.db2.gz SHGYNXXABXGXNI-SLJGUOPMSA-N 0 1 703.928 6.289 1 0 investigational KKAFMN CN1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)CC1 ZINC000028372890 561918561 /nfs/dbraw/zinc/91/85/61/561918561.db2.gz IOOCNUDRIJJIAZ-DEOSSOPVSA-N 0 1 574.216 5.024 1 0 KKAFMN O=C([O-])[C@@H]1CCCC[N@H+]1CCC=C(c1sccc1COC1CCCCC1)c1sccc1COC1CCCCC1 ZINC000028565639 561936174 /nfs/dbraw/zinc/93/61/74/561936174.db2.gz JYVOVAPKMWZXIZ-LJAQVGFWSA-N 0 1 571.849 8.269 1 0 KKAFMN O=C([O-])C1C[NH+](Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Br)c2)C1 ZINC000028638329 561942160 /nfs/dbraw/zinc/94/21/60/561942160.db2.gz BDXDATLHTUEDJA-UHFFFAOYSA-N 0 1 526.374 6.292 1 0 KKAFMN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(=O)c2c(O)cc(-c3ccccc3Cl)oc1-2 ZINC000028640125 561942685 /nfs/dbraw/zinc/94/26/85/561942685.db2.gz LVTCEBCCLKRNQN-GOSISDBHSA-N 0 1 500.979 5.697 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(NC(=O)c3ccc(NCC[NH+](C)C)nc3)c2s1 ZINC000028710603 561951504 /nfs/dbraw/zinc/95/15/04/561951504.db2.gz SCYJKQUPJVASAH-UHFFFAOYSA-N 0 1 638.816 5.452 1 0 KKAFMN Fc1ccc(C(OCCN2C[C@H]3C[C@@H](C2)N3C/C=C/c2ccc3ccccc3c2)c2ccc(F)cc2)cc1 ZINC000028713799 561954164 /nfs/dbraw/zinc/95/41/64/561954164.db2.gz XEDMXCZQRHSJSF-MHGGUPSASA-N 0 1 510.628 6.696 1 0 KKAFMN O=C([O-])c1cn(C2CC2)c2c(F)c(N3CC([NH+](Cc4ccccc4)Cc4ccccc4)C3)c(F)cc2c1=O ZINC000028819226 561965600 /nfs/dbraw/zinc/96/56/00/561965600.db2.gz HQMDNMSJEAFWHN-UHFFFAOYSA-N 0 1 515.560 5.204 1 0 KKAFMN COc1cc(-c2csc3c2c(N)ncc3/C=C/CN2CCN(C)CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822590 561967343 /nfs/dbraw/zinc/96/73/43/561967343.db2.gz NDNFHQMGFQRRBP-SOFGYWHQSA-N 0 1 566.731 5.559 1 0 KKAFMN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 ZINC000028826511 561971348 /nfs/dbraw/zinc/97/13/48/561971348.db2.gz OWZXHVOZRYMMLN-UHFFFAOYSA-N 0 1 615.174 5.227 1 0 KKAFMN O=C(NCC1CCN(C(=O)NCc2ccccc2)CC1)c1cc(Cl)ccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1 ZINC000028826523 561971352 /nfs/dbraw/zinc/97/13/52/561971352.db2.gz ZHRDWMWOBFHRJH-UHFFFAOYSA-N 0 1 644.216 5.297 1 0 KKAFMN C[C@@H]1CN(C(=O)OC2([C@@H]3CCC[C@@H](c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@@H](C)N1 ZINC000028879553 561976449 /nfs/dbraw/zinc/97/64/49/561976449.db2.gz UTHMUINLECVICV-WHBJXLRSSA-N 0 1 550.096 5.115 1 0 KKAFMN O=C(NCCCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 ZINC000028869777 561973800 /nfs/dbraw/zinc/97/38/00/561973800.db2.gz PKGJBHXJYDGBET-GDLZYMKVSA-N 0 1 518.126 6.472 1 0 KKAFMN COc1ccccc1[C@H](c1ccccc1)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000028869852 561973871 /nfs/dbraw/zinc/97/38/71/561973871.db2.gz GUWMGLWQORYQFJ-PMERELPUSA-N 0 1 513.707 5.827 1 0 KKAFMN CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CCN(C)C[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889659 561978028 /nfs/dbraw/zinc/97/80/28/561978028.db2.gz MZINAXOPBUWVQD-KDYSTLNUSA-N 0 1 549.090 5.918 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CCOCc2ccccc2)CC(=O)[O-])cc1 ZINC000028949139 561980489 /nfs/dbraw/zinc/98/04/89/561980489.db2.gz WEJIGJHEKHEJBT-UHFFFAOYSA-N 0 1 500.595 5.375 1 0 KKAFMN CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H](NS(=O)(=O)c2c(F)cccc2F)C3)cc2ccccc21 ZINC000028949623 561980735 /nfs/dbraw/zinc/98/07/35/561980735.db2.gz HQASURSDDJNDLH-OAQYLSRUSA-N 0 1 524.589 5.815 1 0 KKAFMN Nc1ccccc1NC(=O)c1cc2ccc([C@@H](C(=O)NCc3ccccc3)N3CCN(CCc4ccccc4)CC3)cc2s1 ZINC000028976427 561986928 /nfs/dbraw/zinc/98/69/28/561986928.db2.gz QVYBBNKTNFSOSC-UMSFTDKQSA-N 0 1 603.792 5.954 1 0 KKAFMN CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1 ZINC000029042643 561991580 /nfs/dbraw/zinc/99/15/80/561991580.db2.gz ZIRQSEOPGSAMHR-UHFFFAOYSA-N 0 1 527.938 6.769 1 0 KKAFMN COc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1OCCCCCOc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1OC ZINC000029043912 561992188 /nfs/dbraw/zinc/99/21/88/561992188.db2.gz DVLHQEIDZPIVCB-UHFFFAOYSA-N 0 1 684.637 9.456 1 0 KKAFMN COc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OCCCCCOc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1OC ZINC000029044051 561992214 /nfs/dbraw/zinc/99/22/14/561992214.db2.gz NCZOTZAVELCVRT-UHFFFAOYSA-N 0 1 576.697 8.035 1 0 KKAFMN COc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OCCCCCOc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1OC ZINC000029044051 561992215 /nfs/dbraw/zinc/99/22/15/561992215.db2.gz NCZOTZAVELCVRT-UHFFFAOYSA-N 0 1 576.697 8.035 1 0 KKAFMN Nc1n[nH]c2nc(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126919 561999182 /nfs/dbraw/zinc/99/91/82/561999182.db2.gz WTOLMDZZQMSFOI-UHFFFAOYSA-N 0 1 515.621 5.354 1 0 KKAFMN Cc1nc(C)c(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)s1 ZINC000029127012 561999360 /nfs/dbraw/zinc/99/93/60/561999360.db2.gz AGHXSXMZVMLSGU-UHFFFAOYSA-N 0 1 522.622 5.298 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCCN3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029127231 561999676 /nfs/dbraw/zinc/99/96/76/561999676.db2.gz RKDBVDKLNHXCIZ-UHFFFAOYSA-N 0 1 580.680 6.780 1 0 KKAFMN Cc1nc2cc3c(c(C)c2o1)CCN(CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127363 561999761 /nfs/dbraw/zinc/99/97/61/561999761.db2.gz BFIAPIAYPVHYPQ-UHFFFAOYSA-N 0 1 526.710 6.070 1 0 KKAFMN CCc1nc2cc3c(c(C)c2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127468 561999824 /nfs/dbraw/zinc/99/98/24/561999824.db2.gz SVBOCVYSHIJYID-UHFFFAOYSA-N 0 1 526.710 5.934 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4ccc5nc(C(C)(F)F)oc5c4CC3)n2C)n1 ZINC000029127523 561999911 /nfs/dbraw/zinc/99/99/11/561999911.db2.gz IWYNZVSUMFYFCF-UHFFFAOYSA-N 0 1 548.663 6.175 1 0 KKAFMN CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4ccccc4C(F)(F)F)[nH]c3-c3ccccc3)cc21 ZINC000029130581 562002707 /nfs/dbraw/zinc/00/27/07/562002707.db2.gz PZIQORVTXWOXED-UHFFFAOYSA-N 0 1 525.556 5.948 1 0 KKAFMN CCCc1cc([O-])cc2c1C(=O)[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000029217118 562006647 /nfs/dbraw/zinc/00/66/47/562006647.db2.gz WKOXDPCSUWAONV-BVRKHOPBSA-N 0 1 501.623 6.015 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 ZINC000029222798 562007518 /nfs/dbraw/zinc/00/75/18/562007518.db2.gz SQEFOEMJQGYSCJ-LJAQVGFWSA-N 0 1 575.735 5.311 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)[C@H](c1cccc(Cl)c1)SCC(=O)N2C ZINC000029330488 562013853 /nfs/dbraw/zinc/01/38/53/562013853.db2.gz WVXGQIOPZMEAOO-RRPNLBNLSA-N 0 1 523.489 5.777 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 ZINC000029311018 562012056 /nfs/dbraw/zinc/01/20/56/562012056.db2.gz ULLVAYMMOWPMRM-PMERELPUSA-N 0 1 590.652 5.272 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 ZINC000029317694 562012612 /nfs/dbraw/zinc/01/26/12/562012612.db2.gz JLPKGMBSBXCEAC-PMERELPUSA-N 0 1 572.662 5.133 1 0 KKAFMN CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)OC(C)(C)C ZINC000029345712 562016228 /nfs/dbraw/zinc/01/62/28/562016228.db2.gz KHWUUKOCPOUZAU-QNRWOPMTSA-N 0 1 621.823 5.054 1 0 KKAFMN CCOC(=O)N1CCN(CCCCCC(=O)N[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)CC1 ZINC000029486040 562028356 /nfs/dbraw/zinc/02/83/56/562028356.db2.gz GWDSOXJOOIZXIW-PMERELPUSA-N 0 1 593.813 6.247 1 0 KKAFMN Cc1oc2c(c1C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560610 562033085 /nfs/dbraw/zinc/03/30/85/562033085.db2.gz RAFQPUGTCFMNKH-DLKLHXKQSA-N 0 1 596.749 7.613 1 0 KKAFMN Cc1oc2c(c1C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560610 562033086 /nfs/dbraw/zinc/03/30/86/562033086.db2.gz RAFQPUGTCFMNKH-DLKLHXKQSA-N 0 1 596.749 7.613 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 ZINC000029571067 562035666 /nfs/dbraw/zinc/03/56/66/562035666.db2.gz BPQOOUVCSNMRHV-HKBQPEDESA-N 0 1 590.815 6.385 1 0 KKAFMN CC(C)N(c1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1)S(=O)(=O)c1ccccc1 ZINC000032016619 562036861 /nfs/dbraw/zinc/03/68/61/562036861.db2.gz NXKGMNJCAIWYJW-HHHXNRCGSA-N 0 1 521.679 6.150 1 0 KKAFMN CCC(=O)C(CCCCCCOc1ccc(OCCCCCCC(C(=O)CC)=C(O)CC)cc1)=C(O)CC ZINC000033494084 562037415 /nfs/dbraw/zinc/03/74/15/562037415.db2.gz DBAXZDKFXBCOBA-UHFFFAOYSA-N 0 1 530.746 7.494 1 0 KKAFMN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C4CCCC4)CC3)cn2)c(F)c1 ZINC000036161483 562048776 /nfs/dbraw/zinc/04/87/76/562048776.db2.gz ZYFYOPCEMPRIRH-UHFFFAOYSA-N 0 1 534.607 5.126 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc(-c5cn[nH]c(=O)c5)c4)c3)cc2C(F)(F)F)CC1 ZINC000038146658 562065326 /nfs/dbraw/zinc/06/53/26/562065326.db2.gz FEGSIMPFJTUXFQ-UHFFFAOYSA-N 0 1 618.660 5.406 3 0 KKAFMN CS(=O)(=O)Nc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000038149577 562066002 /nfs/dbraw/zinc/06/60/02/562066002.db2.gz JRBATXMNNOSVOU-UHFFFAOYSA-N 0 1 503.424 5.410 1 0 KKAFMN C[C@@H](O)c1cnc(N2CCN(c3nc4cc(C(F)(F)F)cc(-c5cc(F)c(F)c(F)c5)c4[nH]3)[C@H](C)C2)c(Cl)c1 ZINC000038157613 562069217 /nfs/dbraw/zinc/06/92/17/562069217.db2.gz MVTYPGQUVNWNEB-CHWSQXEVSA-N 0 1 569.937 6.483 1 0 KKAFMN CSCN1C(=O)CC[C@](c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1=O ZINC000040425008 562076420 /nfs/dbraw/zinc/07/64/20/562076420.db2.gz CZSCZZVPYIQJLF-VWLOTQADSA-N 0 1 501.490 5.069 1 0 KKAFMN O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2[C@H]2[C@@H](CC[N@@H+]2CCN2CCCCC2)C1 ZINC000040934134 562084721 /nfs/dbraw/zinc/08/47/21/562084721.db2.gz RQDLDUBHSZGLLJ-VVFBEHOQSA-N 0 1 511.710 6.917 1 0 KKAFMN O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2[C@H]2[C@@H](CC[N@H+]2CCN2CCCCC2)C1 ZINC000040934134 562084723 /nfs/dbraw/zinc/08/47/23/562084723.db2.gz RQDLDUBHSZGLLJ-VVFBEHOQSA-N 0 1 511.710 6.917 1 0 KKAFMN O=C(c1ccccc1)N1CCC(c2nc3c([nH]2)c2ccccc2nc3Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000040949983 562085895 /nfs/dbraw/zinc/08/58/95/562085895.db2.gz UFLUOMLKIBVBGE-UHFFFAOYSA-N 0 1 516.432 7.181 1 0 KKAFMN O=C(Nc1ccccc1)N1CCC[C@@](c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000040976263 562087185 /nfs/dbraw/zinc/08/71/85/562087185.db2.gz WSPJCXDAFUSHQL-SSEXGKCCSA-N 0 1 532.526 6.927 1 0 KKAFMN O=C(C=C(O)C1=CCc2[nH]ccc2[C@H]1C[C@@H]1C=Cc2c(O)cccc2CC1)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000103531532 560050960 /nfs/dbraw/zinc/05/09/60/560050960.db2.gz MCEODLBTFJRHDS-WQBWHMICSA-N 0 1 564.702 7.087 1 0 biogenic,in-vitro KKAFMN C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)C1CCCC1 ZINC000085595270 560064141 /nfs/dbraw/zinc/06/41/41/560064141.db2.gz DUGDCEITGLLWQQ-TXONAAPKSA-N 0 1 520.578 5.125 1 0 biogenic,in-vitro KKAFMN C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)C1CCCC1 ZINC000085595270 560064143 /nfs/dbraw/zinc/06/41/43/560064143.db2.gz DUGDCEITGLLWQQ-TXONAAPKSA-N 0 1 520.578 5.125 1 0 biogenic,in-vitro KKAFMN O=C([O-])CC[N@H+]1CC[C@H]2c3ccccc3N(Cc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)[C@H]2C1 ZINC000043022156 562644988 /nfs/dbraw/zinc/64/49/88/562644988.db2.gz GMXZORXKOQRUQT-SAKJVAGJSA-N 0 1 524.064 6.711 1 0 KKAFMN Cc1cc(C)c(C(=O)N[C@H](Cc2ccc(N3CCC(c4ccc5c([nH+]4)NCCC5)CC3)cc2)C(=O)[O-])c(C)c1 ZINC000043171694 562646568 /nfs/dbraw/zinc/64/65/68/562646568.db2.gz RWENQEHCTSXFGI-MUUNZHRXSA-N 0 1 526.681 5.175 1 0 KKAFMN Cc1cc[nH+]c(NCc2csc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)c2)c1 ZINC000043176810 562646649 /nfs/dbraw/zinc/64/66/49/562646649.db2.gz FAUUZARDASUJGS-VWLOTQADSA-N 0 1 513.663 6.082 1 0 KKAFMN O=C(/C=C/CN1CCCOCC1)N1CCCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000043203721 562647026 /nfs/dbraw/zinc/64/70/26/562647026.db2.gz IXUDUNWMTNELOE-GORDUTHDSA-N 0 1 532.497 5.295 1 0 KKAFMN O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCC[C@H](c3ccccc3)C2)nn1)OC1CCCC1 ZINC000043544029 562649595 /nfs/dbraw/zinc/64/95/95/562649595.db2.gz DSQXPFNDAOHWMU-NNUTVPELSA-N 0 1 577.773 6.722 1 0 KKAFMN C[C@@H]1CN(CCCc2nc3cc(-c4ncccc4C(F)(F)F)ccc3c(Nc3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000044281578 562653150 /nfs/dbraw/zinc/65/31/50/562653150.db2.gz SZVWUSQUZGMZCK-KDURUIRLSA-N 0 1 589.584 7.515 1 0 KKAFMN CCOC(=O)C1CCN(CCOc2ccc(Br)cc2NC(=O)Cc2cccc3ccccc32)CC1 ZINC000044404300 562656438 /nfs/dbraw/zinc/65/64/38/562656438.db2.gz JYMMQVODGFWGHG-UHFFFAOYSA-N 0 1 539.470 5.437 1 0 KKAFMN COC(=O)[C@@](CCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000044406271 562656804 /nfs/dbraw/zinc/65/68/04/562656804.db2.gz CHACAHBBLAVNNH-GDLZYMKVSA-N 0 1 577.560 5.140 1 0 KKAFMN NC(=O)c1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)c1 ZINC000045189251 562658385 /nfs/dbraw/zinc/65/83/85/562658385.db2.gz DOAWYFCETXNIFN-UHFFFAOYSA-N 0 1 500.480 6.267 1 0 KKAFMN CC(C)Oc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1F)CC[N@@H+](C)CC2 ZINC000045189335 562658406 /nfs/dbraw/zinc/65/84/06/562658406.db2.gz VLADTGIAPXLRHM-UHFFFAOYSA-N 0 1 503.039 5.765 1 0 KKAFMN O=C(NCc1cccc(F)c1)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045193787 562658789 /nfs/dbraw/zinc/65/87/89/562658789.db2.gz ZHYWYAMOMMWKOZ-UHFFFAOYSA-N 0 1 504.487 7.377 1 0 KKAFMN O=C(NCc1cccc(F)c1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 ZINC000045210767 562659301 /nfs/dbraw/zinc/65/93/01/562659301.db2.gz SQEXBNUTABCDOG-UHFFFAOYSA-N 0 1 504.487 7.377 1 0 KKAFMN CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccnc(N)n2)[nH]1 ZINC000045227508 562659449 /nfs/dbraw/zinc/65/94/49/562659449.db2.gz NVRNQHZXZBJFCW-UHFFFAOYSA-N 0 1 516.955 5.561 1 0 KKAFMN CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045227508 562659450 /nfs/dbraw/zinc/65/94/50/562659450.db2.gz NVRNQHZXZBJFCW-UHFFFAOYSA-N 0 1 516.955 5.561 1 0 KKAFMN C[C@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045338443 562661468 /nfs/dbraw/zinc/66/14/68/562661468.db2.gz FZYZAZVPXUZVPL-QINZWAKZSA-N 0 1 530.112 5.657 1 0 KKAFMN Cc1cc[nH+]c(NCc2cccc(-c3ccc(C[C@@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)c2)c1 ZINC000045364738 562662049 /nfs/dbraw/zinc/66/20/49/562662049.db2.gz ZRRDVEJNFGIFLZ-MUUNZHRXSA-N 0 1 507.634 6.020 1 0 KKAFMN CC(C)(CNC(=O)C1CC[NH+](CC2CCCCC2)CC1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000048307310 562662934 /nfs/dbraw/zinc/66/29/34/562662934.db2.gz IGIQWYQARIIWKF-UHFFFAOYSA-N 0 1 550.147 6.184 1 0 KKAFMN CC(C)(CNC(=O)C1CC[NH+](CC2CCCCC2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000048307310 562662935 /nfs/dbraw/zinc/66/29/35/562662935.db2.gz IGIQWYQARIIWKF-UHFFFAOYSA-N 0 1 550.147 6.184 1 0 KKAFMN CS(=O)(=O)CCNCc1cccc(-c2cc3nccc(Nc4ccc(Oc5ccccc5)cc4)c3cc2Cl)c1 ZINC000048308964 562663194 /nfs/dbraw/zinc/66/31/94/562663194.db2.gz NRKWXKXUIZVUIG-UHFFFAOYSA-N 0 1 558.103 7.225 1 0 KKAFMN CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCCC4)nc4c(C(F)(F)F)cccn43)c2)c1 ZINC000049021403 562663325 /nfs/dbraw/zinc/66/33/25/562663325.db2.gz HZBNGPXKCIHTTC-UHFFFAOYSA-N 0 1 515.557 5.812 1 0 KKAFMN CN1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)CCC5CCCC5)cc3)c4N)c2)CC1 ZINC000049036906 562663615 /nfs/dbraw/zinc/66/36/15/562663615.db2.gz BHIWBHXJQRREGM-UHFFFAOYSA-N 0 1 523.685 5.306 1 0 KKAFMN COc1ccc(-c2nc3c(ncc(Br)c3N3CCN(Cc4ccc(Cl)cc4)CC3)[nH]2)cc1 ZINC000049046726 562663729 /nfs/dbraw/zinc/66/37/29/562663729.db2.gz HVZNKPWGHREOMW-UHFFFAOYSA-N 0 1 512.839 5.372 1 0 KKAFMN CCn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049088414 562664347 /nfs/dbraw/zinc/66/43/47/562664347.db2.gz FYYAPMGYQONMQC-MUUNZHRXSA-N 0 1 503.433 5.979 1 0 KKAFMN COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000049605012 562665237 /nfs/dbraw/zinc/66/52/37/562665237.db2.gz KGADURBHOXIBPI-UHFFFAOYSA-N 0 1 555.506 5.587 1 0 KKAFMN CS(=O)(=O)CCCNCc1ccc(-c2cc3c(cn2)ncnc3Nc2ccc(OCc3ccccc3)cc2)o1 ZINC000049605117 562665378 /nfs/dbraw/zinc/66/53/78/562665378.db2.gz NVWYKCCRMGMTKD-UHFFFAOYSA-N 0 1 543.649 5.132 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000049605126 562665403 /nfs/dbraw/zinc/66/54/03/562665403.db2.gz NGKRPBCWQMZBED-SOFGYWHQSA-N 0 1 539.454 5.811 1 0 KKAFMN CC(=O)Nc1cc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)ccc1C ZINC000049625675 562666822 /nfs/dbraw/zinc/66/68/22/562666822.db2.gz RQFMQOVMKPMIDU-UHFFFAOYSA-N 0 1 528.534 7.435 1 0 KKAFMN FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(CNCc5cnn(-c6ccccc6)n5)cc4)s3)[nH]c2c1 ZINC000049625935 562666915 /nfs/dbraw/zinc/66/69/15/562666915.db2.gz BJHDKGYTSWIUQJ-UHFFFAOYSA-N 0 1 530.579 6.848 1 0 KKAFMN Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 ZINC000049650275 562668039 /nfs/dbraw/zinc/66/80/39/562668039.db2.gz RCRODOVSLLRLGH-WOFUPGFCSA-N 0 1 730.866 5.173 1 0 KKAFMN COc1ccc([C@@H](CCCNC(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049677808 562668395 /nfs/dbraw/zinc/66/83/95/562668395.db2.gz CZWJHNWGEGYHNZ-PDDLMNHVSA-N 0 1 664.807 5.474 1 0 KKAFMN COc1ccc([C@H](CCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679042 562668748 /nfs/dbraw/zinc/66/87/48/562668748.db2.gz VXIRZADKDLXOPU-CUBQBAPOSA-N 0 1 628.770 5.839 1 0 KKAFMN COc1ccc([C@@H](CCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679948 562669055 /nfs/dbraw/zinc/66/90/55/562669055.db2.gz NGGJCHLWJLXTQR-VAVYLYDRSA-N 0 1 642.797 6.229 1 0 KKAFMN O=C(NCCc1ccccc1)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049708599 562671001 /nfs/dbraw/zinc/67/10/01/562671001.db2.gz RGIULWBHYMMYLJ-UHFFFAOYSA-N 0 1 552.550 5.148 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc(-n5cnnn5)ccc4nc3-c3ccccc3)cc2)CC1 ZINC000049708820 562671086 /nfs/dbraw/zinc/67/10/86/562671086.db2.gz VSPHDEQLMZMMEJ-UHFFFAOYSA-N 0 1 579.668 5.420 1 0 KKAFMN CCCCCC(=O)N1CCO[C@](CCN2CCc3c(c4ccccc4n3C)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049710512 562671684 /nfs/dbraw/zinc/67/16/84/562671684.db2.gz VCZBPJOANUSAGW-PMERELPUSA-N 0 1 542.551 6.568 1 0 KKAFMN CC(=O)Nc1nc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)cs1 ZINC000049723346 562673291 /nfs/dbraw/zinc/67/32/91/562673291.db2.gz FRUZRYJQHGVDBW-UHFFFAOYSA-N 0 1 521.524 6.583 1 0 KKAFMN CCOc1ccc(OCC)c(N2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 ZINC000049745004 562673610 /nfs/dbraw/zinc/67/36/10/562673610.db2.gz RCXGCEXGHSWMAS-UHFFFAOYSA-N 0 1 579.141 5.722 1 0 KKAFMN Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(-n5ccnc5)c(N5CCN(C)CC5)c4)cc3)c(C)c2)no1 ZINC000049745616 562673939 /nfs/dbraw/zinc/67/39/39/562673939.db2.gz ACAVTWGKUUNFPF-UHFFFAOYSA-N 0 1 533.636 5.210 1 0 KKAFMN COc1ccccc1N1CCN(CCCCN(C(=O)Nc2cccc(Cl)c2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049746735 562674576 /nfs/dbraw/zinc/67/45/76/562674576.db2.gz BBTMWKNMYVKTLK-UHFFFAOYSA-N 0 1 570.521 6.670 1 0 KKAFMN COc1cc(-c2nc(C(F)(F)F)[nH]c2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc(OC)c1OC ZINC000049757122 562675588 /nfs/dbraw/zinc/67/55/88/562675588.db2.gz IFCZHLYGPQRXKW-UHFFFAOYSA-N 0 1 608.577 5.673 1 0 KKAFMN COc1cc(-c2[nH]c(C(F)(F)F)nc2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc(OC)c1OC ZINC000049757122 562675589 /nfs/dbraw/zinc/67/55/89/562675589.db2.gz IFCZHLYGPQRXKW-UHFFFAOYSA-N 0 1 608.577 5.673 1 0 KKAFMN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccsc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775421 562679067 /nfs/dbraw/zinc/67/90/67/562679067.db2.gz XENKZSPTQPRZEQ-HKBQPEDESA-N 0 1 628.908 6.639 1 0 KKAFMN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(Cl)c2)CC1 ZINC000049778386 562681288 /nfs/dbraw/zinc/68/12/88/562681288.db2.gz AEKZALMFASFTNO-WJOKGBTCSA-N 0 1 649.250 5.364 1 0 KKAFMN O=C(N[C@@H](Cc1ccccc1)CN(Cc1ccncc1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049793698 562685107 /nfs/dbraw/zinc/68/51/07/562685107.db2.gz LZXPGRRYRBSCOY-KYJUHHDHSA-N 0 1 656.834 5.872 1 0 KKAFMN O=C(Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 ZINC000049793975 562685334 /nfs/dbraw/zinc/68/53/34/562685334.db2.gz XDRITBUGCUCJPA-UHFFFAOYSA-N 0 1 580.492 8.455 1 0 KKAFMN C[C@@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)c1nn[nH]n1 ZINC000049853638 562689077 /nfs/dbraw/zinc/68/90/77/562689077.db2.gz GKQYYVGEGDRSBE-XZOQPEGZSA-N 0 1 637.209 7.854 1 0 KKAFMN CCCC=Cc1ccccc1C=CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H](C[NH2+][C@H](Cc1ccccc1)C(=O)[O-])Cc1ccc(O)cc1 ZINC000049863835 562689324 /nfs/dbraw/zinc/68/93/24/562689324.db2.gz KZEVLOIRBPOAGQ-UAFZSCROSA-N 0 1 663.819 5.025 1 0 KKAFMN COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1Cc1c(OC)cc(O)c(C(=O)CCc2ccccc2)c1O ZINC000049872400 562689971 /nfs/dbraw/zinc/68/99/71/562689971.db2.gz HWWFNLBRJMQILI-UHFFFAOYSA-N 0 1 556.611 5.748 1 0 biogenic,in-vitro KKAFMN CC(=O)Nc1ncc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)s1 ZINC000049917607 562693600 /nfs/dbraw/zinc/69/36/00/562693600.db2.gz IERXUSWMKYONOG-UHFFFAOYSA-N 0 1 527.553 6.644 1 0 KKAFMN CC(=O)N(C)c1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)c1 ZINC000049908032 562693431 /nfs/dbraw/zinc/69/34/31/562693431.db2.gz KIYWAWOJJRGDOQ-UHFFFAOYSA-N 0 1 528.534 7.151 1 0 KKAFMN O=C(Nc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000049917601 562693644 /nfs/dbraw/zinc/69/36/44/562693644.db2.gz JONSCBPGWJVBSH-WNOXWKSXSA-N 0 1 670.766 6.108 1 0 KKAFMN O=C(Nc1ccc(C(=O)N2CCN(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000049917759 562693830 /nfs/dbraw/zinc/69/38/30/562693830.db2.gz DWGABQQMZWSTMY-UHFFFAOYSA-N 0 1 649.636 5.436 1 0 KKAFMN CC(C)(C)c1ccc(C(=O)NC2CCC(CCN3CCc4ccc(S(C)(=O)=O)cc4CC3)CC2)cc1C(F)(F)F ZINC000049918039 562694332 /nfs/dbraw/zinc/69/43/32/562694332.db2.gz GKQNEFCNUSWAMR-UHFFFAOYSA-N 0 1 578.741 6.186 1 0 KKAFMN O=C(Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000049918110 562694449 /nfs/dbraw/zinc/69/44/49/562694449.db2.gz RGHLCBOVGRLHRD-UHFFFAOYSA-N 0 1 541.360 8.867 1 0 KKAFMN O=C(Nc1ccc(C(=O)Oc2cccc3ccccc32)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000049918132 562694507 /nfs/dbraw/zinc/69/45/07/562694507.db2.gz VOPIXGFAIRZWQB-HKFHRXRESA-N 0 1 644.728 5.594 1 0 KKAFMN CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN5CCN(c6ccccc6)CC5)c(OC)cc43)ccc2s1 ZINC000052955995 562695947 /nfs/dbraw/zinc/69/59/47/562695947.db2.gz SBIADDNDHYFFBT-UHFFFAOYSA-N 0 1 597.741 6.365 1 0 KKAFMN CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCCN5CCN(c6ccccc6)CC5)cc43)ccc2s1 ZINC000052956003 562695969 /nfs/dbraw/zinc/69/59/69/562695969.db2.gz XSNUYDRWPIDWBS-UHFFFAOYSA-N 0 1 597.741 6.365 1 0 KKAFMN CCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 ZINC000053243800 562696876 /nfs/dbraw/zinc/69/68/76/562696876.db2.gz SBDZVNNWAFISGT-SSEXGKCCSA-N 0 1 574.766 5.271 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053260351 562696935 /nfs/dbraw/zinc/69/69/35/562696935.db2.gz IIBJTLJAZGFEHF-AWJLRTIGSA-N 0 1 542.736 6.518 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053260351 562696936 /nfs/dbraw/zinc/69/69/36/562696936.db2.gz IIBJTLJAZGFEHF-AWJLRTIGSA-N 0 1 542.736 6.518 1 0 KKAFMN COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 ZINC000053276062 562697040 /nfs/dbraw/zinc/69/70/40/562697040.db2.gz SEWZRZAXSOQIDA-UHFFFAOYSA-N 0 1 542.732 5.806 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000055646833 562697743 /nfs/dbraw/zinc/69/77/43/562697743.db2.gz RJVRDLDDCGQDGE-GTRCSXEUSA-N 0 1 620.810 6.044 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000055646833 562697744 /nfs/dbraw/zinc/69/77/44/562697744.db2.gz RJVRDLDDCGQDGE-GTRCSXEUSA-N 0 1 620.810 6.044 1 0 KKAFMN C[C@H]1CCCC[N@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000058538653 562698870 /nfs/dbraw/zinc/69/88/70/562698870.db2.gz RCIMAYJLHGXJSS-RXPSNABZSA-N 0 1 509.137 5.127 1 0 KKAFMN O=C1N(c2ccc(F)c(Cl)c2)[C@H](c2ccccn2)C12CCN(c1nc3cc(Cl)c(F)cc3[nH]1)CC2 ZINC000058602663 562700865 /nfs/dbraw/zinc/70/08/65/562700865.db2.gz XVBZNKYJEANPDR-JOCHJYFZSA-N 0 1 514.363 5.918 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000058609175 562700999 /nfs/dbraw/zinc/70/09/99/562700999.db2.gz LAMVCVCMNGYVFR-WIIGKZCBSA-N 0 1 579.160 6.331 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000058609175 562701000 /nfs/dbraw/zinc/70/10/00/562701000.db2.gz LAMVCVCMNGYVFR-WIIGKZCBSA-N 0 1 579.160 6.331 1 0 KKAFMN COCOc1ccc(-c2oc3c(C/C=C(\C)CCC=C(C)C)ccc(O)c3c(=O)c2OCOC)c(OCOC)c1 ZINC000059796367 562702322 /nfs/dbraw/zinc/70/23/22/562702322.db2.gz XHBFWPHNXAPYKY-UFFVCSGVSA-N 0 1 554.636 6.349 3 0 KKAFMN O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061905245 562703014 /nfs/dbraw/zinc/70/30/14/562703014.db2.gz SHDOWDKRLICSAH-RUZDIDTESA-N 0 1 518.872 6.038 3 0 KKAFMN C[C@H]1CN(c2ncc(C(=O)NCc3ccc(F)c(F)c3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066099301 562711063 /nfs/dbraw/zinc/71/10/63/562711063.db2.gz KXOXGMSSGWQNPP-FQEVSTJZSA-N 0 1 588.530 5.772 1 0 KKAFMN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)N2CCCC2)cc1 ZINC000066099421 562711088 /nfs/dbraw/zinc/71/10/88/562711088.db2.gz NJEMEONEYOQVJD-GSJDOASHSA-N 0 1 508.544 5.715 1 0 KKAFMN CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CCNC3(CC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)c(F)c3)N21 ZINC000068197381 562715871 /nfs/dbraw/zinc/71/58/71/562715871.db2.gz LIFXVTDIRXSOPW-ZNGXGWPMSA-N 0 1 670.682 6.719 1 0 KKAFMN CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)[C@H](CCc1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000068202321 562715975 /nfs/dbraw/zinc/71/59/75/562715975.db2.gz IUQKJKPHUBJDJV-UMNBWOBWSA-N 0 1 669.933 5.026 1 0 KKAFMN CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)[C@H](CCc1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000068202321 562715976 /nfs/dbraw/zinc/71/59/76/562715976.db2.gz IUQKJKPHUBJDJV-UMNBWOBWSA-N 0 1 669.933 5.026 1 0 KKAFMN CC[C@@H]1CNC2(CC2)CN1C(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)nc3)[C@H]2c2ccc(Cl)c(F)c2)S1 ZINC000068244405 562716061 /nfs/dbraw/zinc/71/60/61/562716061.db2.gz QUYOIFDRHGZSFZ-YABFKZQLSA-N 0 1 703.687 6.452 1 0 KKAFMN COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245722 562716067 /nfs/dbraw/zinc/71/60/67/562716067.db2.gz SEFCGYCHSOJILP-DEOSSOPVSA-N 0 1 526.589 5.287 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2ccc(N3CCOCC3)nc21 ZINC000068245926 562716133 /nfs/dbraw/zinc/71/61/33/562716133.db2.gz XLTWZDGRMSMNLT-UHFFFAOYSA-N 0 1 591.638 5.780 1 0 KKAFMN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000071280718 562716529 /nfs/dbraw/zinc/71/65/29/562716529.db2.gz OJERHTYXNSEIQQ-BETPUDKTSA-N 0 1 576.741 6.475 1 0 KKAFMN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000071294833 562717010 /nfs/dbraw/zinc/71/70/10/562717010.db2.gz YELXQLUATCAJLB-ZVBBVAIHSA-N 0 1 560.714 5.713 1 0 KKAFMN CN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCCN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)cc1 ZINC000071297080 562717692 /nfs/dbraw/zinc/71/76/92/562717692.db2.gz KHXUDLHKQASZJR-UHFFFAOYSA-N 0 1 588.752 6.299 1 0 KKAFMN Cc1nc(N2CCN(C)CC2)cc(-c2ccccc2)c1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071330382 562719148 /nfs/dbraw/zinc/71/91/48/562719148.db2.gz AFZUBBFQMWDRAV-UHFFFAOYSA-N 0 1 550.547 6.119 1 0 KKAFMN CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000071340502 562719789 /nfs/dbraw/zinc/71/97/89/562719789.db2.gz NGOUBZNVARCMNU-YHHBSCGTSA-N 0 1 509.009 6.114 1 0 KKAFMN COc1cc(C=C2CN(Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000071341831 562720043 /nfs/dbraw/zinc/72/00/43/562720043.db2.gz JJZIVINBRAZEBB-VCEZEUKISA-N 0 1 603.741 5.111 1 0 KKAFMN COc1ccc(C=C2CN(Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000071342007 562720086 /nfs/dbraw/zinc/72/00/86/562720086.db2.gz UDJFXWAYBUHRBB-WNVMKCEGSA-N 0 1 543.689 5.093 1 0 KKAFMN COc1ccc(-n2c(C)c(C(=O)NCCCN3CCN(c4cccc(Cl)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072104732 562720606 /nfs/dbraw/zinc/72/06/06/562720606.db2.gz YEHSHECFCRVGCV-UHFFFAOYSA-N 0 1 558.126 5.760 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000072119606 562723814 /nfs/dbraw/zinc/72/38/14/562723814.db2.gz DQMSHBPWTQYHPD-NWWGNFDPSA-N 0 1 690.631 7.202 3 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC1CCCCC1)OCCCC[C@@H](C)O2 ZINC000072120309 562723985 /nfs/dbraw/zinc/72/39/85/562723985.db2.gz WIHMVTBVTHNAAG-PWRUDQNKSA-N 0 1 662.894 5.400 3 0 KKAFMN O=S(=O)([N-]c1ccc(C[C@@H]2CC[C@@H]([C@@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126801 562725446 /nfs/dbraw/zinc/72/54/46/562725446.db2.gz CVNUDPVQPWCUGZ-LVCXIWIQSA-N 0 1 649.760 7.693 1 0 KKAFMN COc1ccccc1N1CCN(CCCCN2C(=O)N3CCC[C@]3(CCCCCCCNS(=O)(=O)c3cccc4c3cccc4N(C)C)C2=O)CC1 ZINC000072128771 562726297 /nfs/dbraw/zinc/72/62/97/562726297.db2.gz AFNGHTWCRNTHHB-RRHRGVEJSA-N 0 1 732.992 5.933 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000072133460 562727029 /nfs/dbraw/zinc/72/70/29/562727029.db2.gz NIQNUTWSSZLHED-RRRPKEFSSA-N 0 1 643.891 5.795 3 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000072133460 562727030 /nfs/dbraw/zinc/72/70/30/562727030.db2.gz NIQNUTWSSZLHED-RRRPKEFSSA-N 0 1 643.891 5.795 3 0 KKAFMN CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072134159 562727264 /nfs/dbraw/zinc/72/72/64/562727264.db2.gz SBLSCNQSOAHLKU-JEFKESASSA-N 0 1 662.856 6.867 3 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000072139483 562728987 /nfs/dbraw/zinc/72/89/87/562728987.db2.gz FDDMFJKLVOMWML-ZHBPACGQSA-N 0 1 703.683 7.704 3 0 KKAFMN CCCN(CCC)c1cc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2cc1NC(=O)c1ccco1 ZINC000072174783 562731151 /nfs/dbraw/zinc/73/11/51/562731151.db2.gz MWBJZIYFEFYAFE-DIPNUNPCSA-N 0 1 523.659 5.363 1 0 KKAFMN CCCN(CCC)c1cc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2cc1NC(=O)C(F)(F)F ZINC000072174979 562731257 /nfs/dbraw/zinc/73/12/57/562731257.db2.gz ISSZWVXVMYVNQD-PSXMRANNSA-N 0 1 525.597 5.018 1 0 KKAFMN Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1CN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182177 562732849 /nfs/dbraw/zinc/73/28/49/562732849.db2.gz SBFIOSDRDYETRF-FQEVSTJZSA-N 0 1 515.498 5.458 1 0 KKAFMN Cc1cccc(C)c1Oc1c(C(=O)N2CCNC[C@@H]2Cc2ccccc2)c2ncccc2n1-c1ccccc1 ZINC000072182733 562732866 /nfs/dbraw/zinc/73/28/66/562732866.db2.gz SESUGWVGPKXMLN-MHZLTWQESA-N 0 1 516.645 6.091 1 0 KKAFMN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072186168 562732979 /nfs/dbraw/zinc/73/29/79/562732979.db2.gz AHOIRQGPGBEGIH-QHCPKHFHSA-N 0 1 527.971 5.425 1 0 KKAFMN O=C(N[C@@H](c1ccc(Cl)cc1)c1ccc(F)cn1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318470 562733246 /nfs/dbraw/zinc/73/32/46/562733246.db2.gz GZCPBKYTXSPNQJ-CRFRDXJISA-N 0 1 586.933 6.127 1 0 KKAFMN O=C(N[C@@H](c1ccc(F)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318472 562733250 /nfs/dbraw/zinc/73/32/50/562733250.db2.gz SPLGKYRHYYLJLJ-CRFRDXJISA-N 0 1 570.478 5.613 1 0 KKAFMN O=C(N[C@H](c1ccc(Cl)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318467 562733288 /nfs/dbraw/zinc/73/32/88/562733288.db2.gz ABJSOROVZZKJGI-WTVRZORLSA-N 0 1 586.933 6.127 1 0 in-vitro KKAFMN COc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CN3c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1 ZINC000073138075 562733368 /nfs/dbraw/zinc/73/33/68/562733368.db2.gz ZXYWAUPKMQONSC-UHFFFAOYSA-N 0 1 554.478 5.121 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCC[NH3+])CC[C@@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000073310878 562737827 /nfs/dbraw/zinc/73/78/27/562737827.db2.gz ABABGOMCKUKBIN-NACPOSOTSA-N 0 1 580.747 6.303 1 0 KKAFMN Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2cc(C(N)=O)c(F)cc2F)c2cccc(F)c2)CC1 ZINC000082136609 562738909 /nfs/dbraw/zinc/73/89/09/562738909.db2.gz YCRSKOWDWNEKJU-UHFFFAOYSA-N 0 1 682.725 5.773 1 0 KKAFMN 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1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095567891 562766160 /nfs/dbraw/zinc/76/61/60/562766160.db2.gz QDRBVCQGVAHXBS-TZNXZYKKSA-N 0 1 641.813 5.392 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095568181 562766395 /nfs/dbraw/zinc/76/63/95/562766395.db2.gz GQVRJEGSXSCMGQ-SNCSJZQCSA-N 0 1 650.780 5.517 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095568403 562766611 /nfs/dbraw/zinc/76/66/11/562766611.db2.gz JQAVPWYOCCRIFQ-RHDOBMPUSA-N 0 1 700.840 6.670 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095568674 562766782 /nfs/dbraw/zinc/76/67/82/562766782.db2.gz HTBVGGFTFZKUKZ-VCEFOFBQSA-N 0 1 651.635 5.947 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569899 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ZINC000095601995 562779822 /nfs/dbraw/zinc/77/98/22/562779822.db2.gz VIOGDUQZNOFWDO-JYWVQFHMSA-N 0 1 712.762 6.783 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095602283 562779985 /nfs/dbraw/zinc/77/99/85/562779985.db2.gz JUEHVKXRGUAEIX-VXRITMHMSA-N 0 1 753.690 8.584 1 0 KKAFMN COc1ccccc1C(=O)Nc1cccc(-c2nc3c(ncnc3Nc3cccc(C(F)(F)F)c3)[nH]2)c1 ZINC000095604723 562781164 /nfs/dbraw/zinc/78/11/64/562781164.db2.gz BBAWVOHRUVEPRC-UHFFFAOYSA-N 0 1 504.472 6.043 1 0 KKAFMN CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccc(-c3cccnc3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095614606 562786754 /nfs/dbraw/zinc/78/67/54/562786754.db2.gz OARZXNSLQPJZNK-QKCPXGJFSA-N 0 1 820.981 5.291 1 0 KKAFMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615498 562787316 /nfs/dbraw/zinc/78/73/16/562787316.db2.gz CUHGPASOBZRQFT-TUMTZTIRSA-N 0 1 562.723 5.056 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc3c2OCCCO3)OCc2ccccc2-c2ccccc2C1=O ZINC000095661327 562788054 /nfs/dbraw/zinc/78/80/54/562788054.db2.gz MEBNTFIGGVDNJI-OVMXQCPESA-N 0 1 544.692 5.005 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)cc3)cc2[nH]1)C(C)C ZINC000095627829 562788066 /nfs/dbraw/zinc/78/80/66/562788066.db2.gz HLHRGFXCQOVVLR-ZYADHFCISA-N 0 1 762.912 6.861 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1)C(C)C ZINC000095627829 562788067 /nfs/dbraw/zinc/78/80/67/562788067.db2.gz HLHRGFXCQOVVLR-ZYADHFCISA-N 0 1 762.912 6.861 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccc(O)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666110 562788196 /nfs/dbraw/zinc/78/81/96/562788196.db2.gz DXNHWVNJBJSZGC-ZTNZZFSWSA-N 0 1 541.692 5.041 1 0 KKAFMN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095751755 562788839 /nfs/dbraw/zinc/78/88/39/562788839.db2.gz XHKHZLHSPYTKDF-IHLWBQKJSA-N 0 1 690.838 5.965 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095809964 562789233 /nfs/dbraw/zinc/78/92/33/562789233.db2.gz AOGINIYPPPQZNW-VUHQHAHBSA-N 0 1 702.856 5.546 1 0 KKAFMN CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5cc(C(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169885 562790869 /nfs/dbraw/zinc/79/08/69/562790869.db2.gz HNOXCOFDLMQHTF-UHFFFAOYSA-N 0 1 570.591 5.210 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4CC[NH+](C(C)C)CC4)nc32)c1 ZINC000096175749 562792001 /nfs/dbraw/zinc/79/20/01/562792001.db2.gz QDOWEFQTJKHWAS-UHFFFAOYSA-N 0 1 659.857 6.595 1 0 KKAFMN Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(C[C@H](O)C(F)(F)F)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177928 562792465 /nfs/dbraw/zinc/79/24/65/562792465.db2.gz KURNKEVLTNXFLU-NDEPHWFRSA-N 0 1 689.805 6.529 1 0 KKAFMN CN1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)[nH]n3)cc2)CC1 ZINC000096270658 562793326 /nfs/dbraw/zinc/79/33/26/562793326.db2.gz TULDPDLFHDYJMU-UHFFFAOYSA-N 0 1 556.671 5.006 1 0 KKAFMN Cc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271838 562793955 /nfs/dbraw/zinc/79/39/55/562793955.db2.gz VRTZOHZVMJKYNS-UHFFFAOYSA-N 0 1 582.745 5.724 1 0 KKAFMN CCCOc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)[nH+]ccc3c2)n1 ZINC000096283226 562794821 /nfs/dbraw/zinc/79/48/21/562794821.db2.gz SBGPSRWNLMHHLS-UHFFFAOYSA-N 0 1 555.635 5.394 1 0 KKAFMN CCNc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)[nH+]ccc3c2)n1 ZINC000096283217 562794840 /nfs/dbraw/zinc/79/48/40/562794840.db2.gz DKSGJHUZOLTNAI-UHFFFAOYSA-N 0 1 540.624 5.037 1 0 KKAFMN CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903986 562798079 /nfs/dbraw/zinc/79/80/79/562798079.db2.gz QGPWJPTUKNQFRA-GCFSYYHISA-N 0 1 622.776 6.840 1 0 KKAFMN CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903986 562798080 /nfs/dbraw/zinc/79/80/80/562798080.db2.gz QGPWJPTUKNQFRA-GCFSYYHISA-N 0 1 622.776 6.840 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(F)c(OC)cc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905555 562798530 /nfs/dbraw/zinc/79/85/30/562798530.db2.gz UPXWNYMZFXPNFH-IQOONVIGSA-N 0 1 540.607 5.313 1 0 KKAFMN COc1ccc(C2CC([N@H+]3CC[C@@H](CC[C@H](O)c4ccnc5ccc(OC)cc54)[C@@H](C(=O)[O-])C3)C2)c(F)c1 ZINC000096905551 562798564 /nfs/dbraw/zinc/79/85/64/562798564.db2.gz NAWSAVBFKCJGJM-LVYXRRIPSA-N 0 1 522.617 5.174 1 0 KKAFMN Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2Cl)c1 ZINC000096909585 562799602 /nfs/dbraw/zinc/79/96/02/562799602.db2.gz FFMSWJVJSMAVEL-RBISFHTESA-N 0 1 522.089 6.111 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5c(F)ccc(F)c5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910313 562799919 /nfs/dbraw/zinc/79/99/19/562799919.db2.gz RLRPOYALSLJYQI-YDEDJSSYSA-N 0 1 528.571 5.443 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(C)ccc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910308 562799928 /nfs/dbraw/zinc/79/99/28/562799928.db2.gz XGSWPEORLDVSOU-ALKSUCKLSA-N 0 1 506.618 5.473 1 0 KKAFMN O=C1c2c(c(Cl)nc3ccccc23)CN1CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000096922226 562801758 /nfs/dbraw/zinc/80/17/58/562801758.db2.gz KAAVTKNFOZPSIB-UHFFFAOYSA-N 0 1 517.888 6.143 1 0 KKAFMN O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000098067400 562805153 /nfs/dbraw/zinc/80/51/53/562805153.db2.gz RTADBSPAHNCVJT-ZZXHUEHTSA-N 0 1 552.488 5.474 1 0 KKAFMN Cc1cn([C@H]2CCC[N@H+]([C@H](CC(C)C)c3ccc(C(=O)[O-])c(Oc4cccc(Cl)c4)c3F)C2)c(=O)[nH]c1=O ZINC000098208383 562806001 /nfs/dbraw/zinc/80/60/01/562806001.db2.gz IYCZAWHAUDFBFO-WMZHIEFXSA-N 0 1 544.023 5.552 1 0 in-vitro KKAFMN CCOC(=O)C1=C(COCCNC2=NC(=O)CS2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000100049691 562806389 /nfs/dbraw/zinc/80/63/89/562806389.db2.gz BUTGJIOWDJPZLP-QTTZHIOCSA-N 0 1 542.441 5.076 1 0 KKAFMN CN(C[C@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000100842334 562808201 /nfs/dbraw/zinc/80/82/01/562808201.db2.gz WJWXIAWSIAEAJJ-RJVOLCHMSA-N 0 1 557.181 5.289 1 0 KKAFMN O=c1oc2c(c([O-])c1[C@H](c1cccc(NS(=O)(=O)CCc3ccccc3)c1)C1CC1)CCCCCC2 ZINC000101166016 562809566 /nfs/dbraw/zinc/80/95/66/562809566.db2.gz QHCGNKBBKFIGSV-SANMLTNESA-N 0 1 507.652 5.531 1 0 KKAFMN O=c1oc2c(c(O)c1[C@H](c1cccc(NS(=O)(=O)CCc3ccccc3)c1)C1CC1)CCCCCC2 ZINC000101166016 562809567 /nfs/dbraw/zinc/80/95/67/562809567.db2.gz QHCGNKBBKFIGSV-SANMLTNESA-N 0 1 507.652 5.531 1 0 KKAFMN Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN([C@@H](C(=O)[O-])c2ccc(Cl)s2)CC1 ZINC000101193595 562809882 /nfs/dbraw/zinc/80/98/82/562809882.db2.gz QBGFOGSWODCRIX-JVPIYLDOSA-N 0 1 603.232 7.477 1 0 KKAFMN C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(C[S@@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000101812236 562812198 /nfs/dbraw/zinc/81/21/98/562812198.db2.gz RCEGLXVYHHYXSF-PEANNFLOSA-N 0 1 510.744 6.321 1 0 KKAFMN O=c1oc2c(c(O)c1[C@H](c1cccc(N(CC3CC3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000102168507 562812849 /nfs/dbraw/zinc/81/28/49/562812849.db2.gz GFPIODUBTGMVKY-NDEPHWFRSA-N 0 1 533.690 6.152 1 0 KKAFMN O=c1oc2c(c(O)c1[C@@H](c1cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000102226849 562812949 /nfs/dbraw/zinc/81/29/49/562812949.db2.gz CMIDXRRKZXDMQP-WJOKGBTCSA-N 0 1 569.723 6.942 1 0 KKAFMN Cc1[nH]n(-c2ccccc2)c(=O)c1C(N(CCc1ccccc1)C1=NC[C@H](C)S1)(C(F)(F)F)C(F)(F)F ZINC000102939849 562813628 /nfs/dbraw/zinc/81/36/28/562813628.db2.gz NMHAUEGEWDUFAM-INIZCTEOSA-N 0 1 542.549 5.830 1 0 KKAFMN CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2nc[nH]c2cc1Cl ZINC000103229626 562818050 /nfs/dbraw/zinc/81/80/50/562818050.db2.gz XFYCMUVJNNRVOV-UHFFFAOYSA-N 0 1 504.905 5.637 1 0 KKAFMN CN1CCN(c2ccccc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268302 562822686 /nfs/dbraw/zinc/82/26/86/562822686.db2.gz BVBKKSBNHAKHEX-QIKUIUABSA-N 0 1 646.902 5.289 1 0 KKAFMN O=C(N[C@H](c1ccc(Cl)cc1)c1cnccn1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283348 562823672 /nfs/dbraw/zinc/82/36/72/562823672.db2.gz ZYRYGROQEGIXCQ-HIQYAUPDSA-N 0 1 569.931 5.383 1 0 KKAFMN O=C(N[C@H](c1ccc(Cl)cc1)c1ccncc1Cl)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283341 562823687 /nfs/dbraw/zinc/82/36/87/562823687.db2.gz IRIWJXZITBMJPY-WXGXSRQYSA-N 0 1 603.388 6.641 1 0 KKAFMN C[NH+](C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)cn1 ZINC000114035705 562827031 /nfs/dbraw/zinc/82/70/31/562827031.db2.gz CCAUXROLYAGTSK-UHFFFAOYSA-N 0 1 507.421 6.707 1 0 KKAFMN O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1NC1CCC(N2CCC(F)(F)C2)CC1)C1CC1 ZINC000114038334 562827353 /nfs/dbraw/zinc/82/73/53/562827353.db2.gz JXGXXVNULDDODU-UHFFFAOYSA-N 0 1 544.017 7.057 1 0 KKAFMN CCCC(=O)Nc1cccc(-c2nc3cc(OC)c(OCCN4CCN(C)CC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114754209 562828456 /nfs/dbraw/zinc/82/84/56/562828456.db2.gz GKZABRRCVROKDJ-UHFFFAOYSA-N 0 1 594.720 5.290 1 0 KKAFMN CCCC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000140211121 562832993 /nfs/dbraw/zinc/83/29/93/562832993.db2.gz FZPPAVQOCMHNEY-LOBGPBDSSA-N 0 1 624.617 6.932 1 0 KKAFMN Cc1cc(Nc2cc(-n3cccn3)cc[nH+]2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142149621 562833961 /nfs/dbraw/zinc/83/39/61/562833961.db2.gz LXIZGPMVTRFUJA-MUUNZHRXSA-N 0 1 524.606 5.108 1 0 KKAFMN Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc43)c(C(=O)[O-])n(CC[NH+]3CCOCC3)c21 ZINC000143587742 562835159 /nfs/dbraw/zinc/83/51/59/562835159.db2.gz CQDRSEXLCHYADG-UHFFFAOYSA-N 0 1 566.702 5.854 1 0 KKAFMN CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/CN(C)C ZINC000145220973 562836893 /nfs/dbraw/zinc/83/68/93/562836893.db2.gz LHHLPNVJMCVRGH-YVNNLAQVSA-N 0 1 551.022 5.753 1 0 KKAFMN COc1cc(C(=O)N[C@@H]2CCN(C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145961047 562837861 /nfs/dbraw/zinc/83/78/61/562837861.db2.gz LYNGPWZAZYWOKX-OAHLLOKOSA-N 0 1 575.975 5.256 1 0 KKAFMN COc1cc(C(=O)N[C@H]2CCCN(C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146031184 562837965 /nfs/dbraw/zinc/83/79/65/562837965.db2.gz UQSVGDCSKQKNMX-INIZCTEOSA-N 0 1 605.017 5.103 1 0 KKAFMN CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(C(=O)c1ccc(Cl)cn1)CC2 ZINC000146058460 562837991 /nfs/dbraw/zinc/83/79/91/562837991.db2.gz NBNOFUPLFKGRKU-UHFFFAOYSA-N 0 1 516.964 5.274 1 0 KKAFMN O=C(c1ccc(F)cc1)N1CCc2nc(-c3n[nH]c4cc(-c5cc(F)c(O)cc5CC(F)(F)F)ccc43)[nH]c2C1 ZINC000146195524 562838300 /nfs/dbraw/zinc/83/83/00/562838300.db2.gz BFMKOFWLWUPHSN-UHFFFAOYSA-N 0 1 553.491 5.907 1 0 KKAFMN CCC1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 ZINC000146698535 562838791 /nfs/dbraw/zinc/83/87/91/562838791.db2.gz DBTLAKRZPVHNGJ-IKJOYHJYSA-N 0 1 624.617 6.932 1 0 KKAFMN CO[C@@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2cc(Cl)ccc2C)CC3)[C@H](C)C1 ZINC000147011519 562839076 /nfs/dbraw/zinc/83/90/76/562839076.db2.gz BJZNBLNWGJBCGY-DENIHFKCSA-N 0 1 531.104 6.165 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(F)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147355773 562839288 /nfs/dbraw/zinc/83/92/88/562839288.db2.gz UMDCPMLQYQJRGI-MTABRHERSA-N 0 1 619.761 6.539 1 0 KKAFMN Cc1cncc(-c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2nc[nH]s2)C3)c1 ZINC000147520399 562839434 /nfs/dbraw/zinc/83/94/34/562839434.db2.gz GPYGSEBKBAYKTK-UHFFFAOYSA-N 0 1 531.585 5.309 1 0 KKAFMN CN(C)CC(=O)N1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccc5)C5CC5)cc43)cc2)CC1 ZINC000147983305 562839806 /nfs/dbraw/zinc/83/98/06/562839806.db2.gz WGEHOPBYUQXTMK-HKBQPEDESA-N 0 1 551.691 5.042 1 0 KKAFMN CCc1cccc(CC)c1NC(=O)c1noc2c1CCCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2 ZINC000148106595 562840240 /nfs/dbraw/zinc/84/02/40/562840240.db2.gz KXMIOKNXQPHICT-UHFFFAOYSA-N 0 1 581.721 5.501 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NC[C@@H]3CCOC3)nc21 ZINC000148115715 562840272 /nfs/dbraw/zinc/84/02/72/562840272.db2.gz HHOZRAZIULTIFL-FQEVSTJZSA-N 0 1 606.653 5.787 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3ccccn3)nc21 ZINC000148140191 562840313 /nfs/dbraw/zinc/84/03/13/562840313.db2.gz KHHDXHKTGMSKIQ-UHFFFAOYSA-N 0 1 613.648 6.346 1 0 KKAFMN CO[C@@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C ZINC000149144148 562842228 /nfs/dbraw/zinc/84/22/28/562842228.db2.gz GQEOCXVLXYTOAW-HSZRJFAPSA-N 0 1 575.161 5.715 1 0 KKAFMN O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[n-]1)[C@@H]1[C@H]([NH+]3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583495 562845663 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CCc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000164252254 562849571 /nfs/dbraw/zinc/84/95/71/562849571.db2.gz RRISOQPBQQGKQY-UHFFFAOYSA-N 0 1 675.886 7.767 1 0 KKAFMN Cn1cc(-c2cccc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)nc(Nc2ccc(C3CCN(C4COC4)CC3)cc2)c1=O ZINC000164282451 562849586 /nfs/dbraw/zinc/84/95/86/562849586.db2.gz ZJKSVBCFIOZPMG-UHFFFAOYSA-N 0 1 651.833 5.405 1 0 KKAFMN CCN1CCN(c2ccc(Nc3cc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CCCC7)c4CO)cn(C)c3=O)nc2)CC1 ZINC000164279992 562849599 /nfs/dbraw/zinc/84/95/99/562849599.db2.gz QCPITHQMZLXOLO-UHFFFAOYSA-N 0 1 642.801 5.107 1 0 KKAFMN CC[C@H](C)CNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000165222140 562849885 /nfs/dbraw/zinc/84/98/85/562849885.db2.gz SHGYNXXABXGXNI-NVDXAGTOSA-N 0 1 703.928 6.289 1 0 investigational KKAFMN COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(C1)C[N@@H+](C)C4)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165388830 562850164 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5.865 1 0 KKAFMN C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310153 562854678 /nfs/dbraw/zinc/85/46/78/562854678.db2.gz UWULGUFSFZJDEY-ISTJGCCRSA-N 0 1 580.685 5.231 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)c(F)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169312974 562855562 /nfs/dbraw/zinc/85/55/62/562855562.db2.gz HHMFHVLBGYLOLS-MTABRHERSA-N 0 1 619.761 6.539 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCC(C(C)(C)C)CC2 ZINC000169312973 562855565 /nfs/dbraw/zinc/85/55/65/562855565.db2.gz DKCXNFYTMRUNDY-YUDZBJCPSA-N 0 1 651.778 7.280 1 0 KKAFMN O=C(c1ccc(Cl)c(Cl)c1)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000169324950 562857538 /nfs/dbraw/zinc/85/75/38/562857538.db2.gz YOMMMWBVKYAEHI-UHFFFAOYSA-N 0 1 531.936 8.235 1 0 KKAFMN CCC[C@@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1OC)[N@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169326875 562857861 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Nc1n[nH]c2cc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)nc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000204813351 562874559 /nfs/dbraw/zinc/87/45/59/562874559.db2.gz UHSQNAZJQHTBAF-NRFANRHFSA-N 0 1 504.594 6.411 1 0 KKAFMN CC[C@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)CC1CCC(C(=O)[O-])CC1 ZINC000206115920 562876299 /nfs/dbraw/zinc/87/62/99/562876299.db2.gz SCORSTNQVHXZQO-GHTCIJBCSA-N 0 1 598.140 5.132 1 0 KKAFMN CC[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(C)c1)CC1CCC(C(=O)[O-])CC1 ZINC000206116031 562876303 /nfs/dbraw/zinc/87/63/03/562876303.db2.gz VPTWGJMKRHSSER-BCFFDTETSA-N 0 1 570.130 5.766 1 0 KKAFMN Cc1c(-c2cc(Nc3ccc(N4CCN(C)CC4)cn3)c(=O)n(C)c2)cccc1-n1ccc2cc(C3CC3)cc(F)c2c1=O ZINC000221780514 562879272 /nfs/dbraw/zinc/87/92/72/562879272.db2.gz DDPZNTYDFQHBDJ-UHFFFAOYSA-N 0 1 590.703 5.572 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)N(C(=O)C[C@H](O)C(=O)[O-])C3=O)cc1)C(C)(C)O2 ZINC000253632442 562881956 /nfs/dbraw/zinc/88/19/56/562881956.db2.gz CZUZIIWEVGGHME-MCEBTLFFSA-N 0 1 730.880 5.958 1 0 KKAFMN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)N(C)C(C)(C)C)cc(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 ZINC000299824277 562883225 /nfs/dbraw/zinc/88/32/25/562883225.db2.gz ITJQIZJYWBEFTG-IYQGOBQHSA-N 0 1 824.965 5.684 1 0 KKAFMN O=C(NCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299827772 562884218 /nfs/dbraw/zinc/88/42/18/562884218.db2.gz HUAUVHYOLGBGMR-UHFFFAOYSA-N 0 1 638.643 9.006 1 0 KKAFMN CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(O)cc1O ZINC000299835758 562886968 /nfs/dbraw/zinc/88/69/68/562886968.db2.gz LLRLVSMTALSDMY-ROUUACIJSA-N 0 1 505.615 5.501 1 0 KKAFMN Cc1c(-c2nc3cc(C(C)(C)C)ccc3[nH]2)cccc1-c1cc(Nc2ccc(N3CCN(C)CC3)cn2)c(=O)n(C)c1 ZINC000299840958 562888703 /nfs/dbraw/zinc/88/87/03/562888703.db2.gz XABLCCBGJBNQGU-UHFFFAOYSA-N 0 1 561.734 6.092 1 0 KKAFMN Cc1c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cccc1-c1cc(Nc2ccc(N3CCN(C)CC3)cn2)c(=O)n(C)c1 ZINC000299840958 562888704 /nfs/dbraw/zinc/88/87/04/562888704.db2.gz XABLCCBGJBNQGU-UHFFFAOYSA-N 0 1 561.734 6.092 1 0 KKAFMN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C5SCCS5)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 ZINC000299844204 562889206 /nfs/dbraw/zinc/88/92/06/562889206.db2.gz GCEUDIONNAAMRI-ISXWXNMNSA-N 0 1 801.977 6.233 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H]1CCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299859216 562892630 /nfs/dbraw/zinc/89/26/30/562892630.db2.gz FMRSUYVTBKFLDM-HHHXNRCGSA-N 0 1 620.581 7.839 1 0 KKAFMN COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C=C/C3CC3)c2)n1 ZINC000299864833 562894261 /nfs/dbraw/zinc/89/42/61/562894261.db2.gz NABVLMHESOKZLJ-DHZHZOJOSA-N 0 1 535.048 5.331 1 0 KKAFMN CCN1c2ccccc2[C@@]2(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)C1=O ZINC000299867659 562894909 /nfs/dbraw/zinc/89/49/09/562894909.db2.gz QMNWXKSGOPPJNR-YUJCASBFSA-N 0 1 601.747 5.587 1 0 KKAFMN CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cnc1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000473087999 562897263 /nfs/dbraw/zinc/89/72/63/562897263.db2.gz NDESJLVJOXCZGF-UHFFFAOYSA-N 0 1 507.063 5.203 1 0 KKAFMN COc1ccccc1C[N@@H+](C)CCCCCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1 ZINC000473117372 562899170 /nfs/dbraw/zinc/89/91/70/562899170.db2.gz YZQTYOSPSMIVKH-UHFFFAOYSA-N 0 1 547.648 6.263 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cccc4c3cccc4N(C)C)cc1)CC2 ZINC000473136493 562901076 /nfs/dbraw/zinc/90/10/76/562901076.db2.gz RZMGECKVAPPQQZ-UHFFFAOYSA-N 0 1 664.828 6.577 1 0 KKAFMN O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152123 562901767 /nfs/dbraw/zinc/90/17/67/562901767.db2.gz MQZWPCCIMNZVNV-ZPMCFJSWSA-N 0 1 540.054 6.429 1 0 KKAFMN Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3nc4cc(C)c(Cl)cc4[nH]3)c3cccc(F)c3)c(Cl)c2)n1 ZINC000473159759 562902760 /nfs/dbraw/zinc/90/27/60/562902760.db2.gz XNRMGZOBNAJOGX-SFHVURJKSA-N 0 1 557.844 6.422 1 0 KKAFMN O=C([O-])CN1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215230 562903918 /nfs/dbraw/zinc/90/39/18/562903918.db2.gz CLHWZIKMCHBNFA-CXKPPADYSA-N 0 1 504.719 6.175 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473227416 562904236 /nfs/dbraw/zinc/90/42/36/562904236.db2.gz CAFLXZLGZJJSQA-PQNGQFLHSA-N 0 1 557.087 5.331 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473227509 562904253 /nfs/dbraw/zinc/90/42/53/562904253.db2.gz WLDLKTFONQSROV-OWHZGTRUSA-N 0 1 603.543 5.910 1 0 KKAFMN CC[C@@H](c1ccc2c(c1)CCO2)[N@H+](Cc1ccc(CCCN2C(=O)CCC2=O)c(OC)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473228771 562904314 /nfs/dbraw/zinc/90/43/14/562904314.db2.gz HMZRYSUYQJJFOK-FSEMWLHASA-N 0 1 576.734 5.556 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473244457 562904850 /nfs/dbraw/zinc/90/48/50/562904850.db2.gz LKFYHONURQIOHX-ONTIZHBOSA-N 0 1 575.077 5.470 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]2CCc3cc(F)c(Cl)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473244665 562904882 /nfs/dbraw/zinc/90/48/82/562904882.db2.gz PFACEPDULLSAMD-NYUJMHJJSA-N 0 1 587.088 5.396 1 0 KKAFMN CCCCCNc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603342 562905247 /nfs/dbraw/zinc/90/52/47/562905247.db2.gz BVVJNIXKEAOEEH-LJAQVGFWSA-N 0 1 515.698 5.764 1 0 KKAFMN COc1ccc(C[C@@H]2c3ccc(NCc4ccncc4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474609848 562905710 /nfs/dbraw/zinc/90/57/10/562905710.db2.gz WDZLCEHORPBZIM-SSEXGKCCSA-N 0 1 536.676 5.169 1 0 KKAFMN CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N(Cc4ccsc4)C(=O)c4cc(Cl)c(O)cc4O)cc3)cc2)CC1 ZINC000653671279 562906161 /nfs/dbraw/zinc/90/61/61/562906161.db2.gz MEBHIMHZFCVKID-UHFFFAOYSA-N 0 1 626.156 5.180 1 0 KKAFMN COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(O)c5c(=O)c4OCc4ccccc4)ccc3O[C@H]2CO)ccc1O ZINC000653687480 562906572 /nfs/dbraw/zinc/90/65/72/562906572.db2.gz SNXNJCHNDFOVAZ-UNVMMQEESA-N 0 1 660.675 6.911 1 0 KKAFMN CCCCCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)c(OCCCCCC)c2=O ZINC000653691250 562906769 /nfs/dbraw/zinc/90/67/69/562906769.db2.gz PDTFVEVNPHTRLA-SHUZPENHSA-N 0 1 648.749 7.671 1 0 KKAFMN Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3ccc4nc(C)[nH]c4c3)c3ccc(O)c(F)c3)c(Cl)c2)n1 ZINC000653730882 562909442 /nfs/dbraw/zinc/90/94/42/562909442.db2.gz VVNXUQUIOABXPY-SFHVURJKSA-N 0 1 539.398 5.474 1 0 KKAFMN Cc1nc2ccccc2c(N(C)c2ccc(OCCN3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)cc2)n1 ZINC000653739194 562910044 /nfs/dbraw/zinc/91/00/44/562910044.db2.gz XKSUACZCIOIJIV-UHFFFAOYSA-N 0 1 523.725 6.200 1 0 KKAFMN COc1ccccc1N1CCN(CCCOc2ccc(-n3nc4ccc(C(F)(F)F)cc4n3)cc2)CC1 ZINC000653757143 562911020 /nfs/dbraw/zinc/91/10/20/562911020.db2.gz QKGRCFSPZWXPRG-UHFFFAOYSA-N 0 1 511.548 5.039 1 0 KKAFMN CN1CCN(c2ccc(NC(=O)Nc3ccc4ncnc(Nc5cccc(C(F)(F)F)c5)c4c3)cc2)CC1 ZINC000653779536 562912061 /nfs/dbraw/zinc/91/20/61/562912061.db2.gz OKCKNHYQHIZSIR-UHFFFAOYSA-N 0 1 521.547 5.788 1 0 KKAFMN Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2nccc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000653794448 562912927 /nfs/dbraw/zinc/91/29/27/562912927.db2.gz UKZWQHUHEACMLG-UHFFFAOYSA-N 0 1 576.623 6.094 1 0 KKAFMN Cc1[nH+]c2cc(Nc3nc([N-]c4ncccn4)nc(Nc4ccc(F)cc4)n3)ccc2n1Cc1ccccc1 ZINC000653799602 562913268 /nfs/dbraw/zinc/91/32/68/562913268.db2.gz OWGQIWZLINBIHM-UHFFFAOYSA-N 0 1 518.560 5.738 1 0 KKAFMN Cc1ccc(CNC(=O)c2cccc3nc(-c4cc(Br)nn4-c4ncccc4Cl)[nH]c32)cc1 ZINC000653823240 562914299 /nfs/dbraw/zinc/91/42/99/562914299.db2.gz MOVYMQPVRWBJRY-UHFFFAOYSA-N 0 1 521.806 5.465 1 0 KKAFMN CCOc1ccncc1N1C(=O)c2c(c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2Cl)C1=O ZINC000653852914 562915629 /nfs/dbraw/zinc/91/56/29/562915629.db2.gz KLBAXORWYSHYTO-UHFFFAOYSA-N 0 1 514.003 5.033 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)[C@@H](C)Oc3ccc(-c4cccnc4)cc3)cc2C(F)(F)F)CC1 ZINC000653857057 562915790 /nfs/dbraw/zinc/91/57/90/562915790.db2.gz WRWSZPDJAJPFBH-HXUWFJFHSA-N 0 1 512.576 5.311 1 0 KKAFMN CC(C)(C)c1ccc(-c2cn([C@H](CN3CCN(CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888013 562917113 /nfs/dbraw/zinc/91/71/13/562917113.db2.gz KPEVFWABFLSPAM-GDLZYMKVSA-N 0 1 539.749 5.810 1 0 KKAFMN COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cccc(CO)c2)cc1O ZINC000085568421 565143705 /nfs/dbraw/zinc/14/37/05/565143705.db2.gz MZTKTTGKLUHANU-LRAURROESA-N 0 1 625.718 6.004 1 0 biogenic,in-vitro KKAFMN COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(O)cc5[C@@H](C[NH+]3C)C4)c(OC)cc2CC[N@@H+]1C ZINC000095485887 565173479 /nfs/dbraw/zinc/17/34/79/565173479.db2.gz AIKBCLMYSVNVPX-PPPOZOIESA-N 0 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMN CCCc1oc2ccccc2c1S(=O)(=O)c1ccc(OCCCN(C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000003922454 561685938 /nfs/dbraw/zinc/68/59/38/561685938.db2.gz CXRZQUOYTHZCRU-UHFFFAOYSA-N 0 1 551.705 6.179 1 0 KKAFMN COc1cc(OC2CCN(Cc3cccnc3C)CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000003931580 561687688 /nfs/dbraw/zinc/68/76/88/561687688.db2.gz PVXXVXNZUNXPMQ-UHFFFAOYSA-N 0 1 570.690 5.203 1 0 KKAFMN O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCC1(c2ccccc2)CC1 ZINC000003937457 561688728 /nfs/dbraw/zinc/68/87/28/561688728.db2.gz WOZVVFKBCBNPBT-BHVANESWSA-N 0 1 671.798 5.703 1 0 KKAFMN O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCC1(c2ccccc2)CCC1 ZINC000003937452 561688798 /nfs/dbraw/zinc/68/87/98/561688798.db2.gz HNXRTWHXWCHGID-QNGWXLTQSA-N 0 1 685.825 6.093 1 0 KKAFMN CC(C)(C)OC(=O)C1C(=O)NC(=O)C[C@@H]1C[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000005539207 561696240 /nfs/dbraw/zinc/69/62/40/561696240.db2.gz SFRGAJOOYXWWKE-LLEAZYAYSA-N 0 1 587.713 5.385 1 0 KKAFMN CC(C)=CCc1c2c(c(=O)c3c(O)c4c(oc1-3)-c1c3c(c(O)cc1O)OC(C)(C)[C@@H]3C4)C=CC(C)(C)O2 ZINC000013373230 561711681 /nfs/dbraw/zinc/71/16/81/561711681.db2.gz CYONWSIQFYQFOS-QGZVFWFLSA-N 0 1 502.563 6.080 1 0 endogenous,in-man KKAFMN CC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc13)-c1c3c(c(O)cc1O)OC(C)(C)[C@@H]3C4)C=CC(C)(C)O2 ZINC000013373230 561711683 /nfs/dbraw/zinc/71/16/83/561711683.db2.gz CYONWSIQFYQFOS-QGZVFWFLSA-N 0 1 502.563 6.080 1 0 endogenous,in-man KKAFMN O=C([O-])C[C@H](NS(=O)(=O)c1cccc(-c2cccc(Nc3[nH]c4ccccc4[nH+]3)c2)c1)c1ccccc1 ZINC000013436757 561711999 /nfs/dbraw/zinc/71/19/99/561711999.db2.gz CNEKZXJTDXCVRA-SANMLTNESA-N 0 1 512.591 5.468 1 0 KKAFMN O=c1ccc(-n2cnc3ccccc32)nn1CCCCCCCN1CCN(c2ccccc2Cl)CC1 ZINC000013475438 561714589 /nfs/dbraw/zinc/71/45/89/561714589.db2.gz HXEMBPCLUCEGFZ-UHFFFAOYSA-N 0 1 505.066 5.008 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2cccc3occc32)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760920 561727692 /nfs/dbraw/zinc/72/76/92/561727692.db2.gz RKFSECKICQQHMR-ZJGIAAPESA-N 0 1 506.643 5.712 1 0 KKAFMN Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)[C@@H](c1cccc(Cl)c1)OCC(=O)N2C ZINC000013489499 561715864 /nfs/dbraw/zinc/71/58/64/561715864.db2.gz WAHSFNMXOHAFIQ-SXOMAYOGSA-N 0 1 507.421 5.060 1 0 KKAFMN Fc1ccc(C(OCCC2CCN(Cc3ccc(Br)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000013494209 561716734 /nfs/dbraw/zinc/71/67/34/561716734.db2.gz ZAHWWNVXUBSWJT-UHFFFAOYSA-N 0 1 500.427 7.136 1 0 KKAFMN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761651 561727933 /nfs/dbraw/zinc/72/79/33/561727933.db2.gz OOAVNTQEOJWXBW-HHHXNRCGSA-N 0 1 535.706 6.645 1 0 KKAFMN COc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761664 561727940 /nfs/dbraw/zinc/72/79/40/561727940.db2.gz FHAHURNGIVLDQN-VWLOTQADSA-N 0 1 509.624 5.356 1 0 KKAFMN CCCC[C@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761710 561728108 /nfs/dbraw/zinc/72/81/08/561728108.db2.gz WINNFDUWGPPOBZ-HSZRJFAPSA-N 0 1 513.631 6.266 1 0 KKAFMN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(CN(C)C)c2)[C@H]1O ZINC000013673032 561723768 /nfs/dbraw/zinc/72/37/68/561723768.db2.gz XZEPTGLGRKJGDY-VSGBNLITSA-N 0 1 500.749 5.461 1 0 KKAFMN CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744227 561726616 /nfs/dbraw/zinc/72/66/16/561726616.db2.gz QHGHGSBEVNMIQN-RUZDIDTESA-N 0 1 524.658 5.790 1 0 KKAFMN CN(C(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C)S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000013747481 561727012 /nfs/dbraw/zinc/72/70/12/561727012.db2.gz TVDSHWGJMRNMMA-UHFFFAOYSA-N 0 1 508.684 6.336 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCCCC(F)(F)F ZINC000013780885 561729345 /nfs/dbraw/zinc/72/93/45/561729345.db2.gz XJOKWONNLCTIIF-TYBLODHISA-N 0 1 528.612 5.435 1 0 KKAFMN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@@H]2[C@@H](Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000014263042 561738764 /nfs/dbraw/zinc/73/87/64/561738764.db2.gz KJQHHFWZKACGAF-UPRLRBBYSA-N 0 1 533.556 7.730 1 0 KKAFMN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@H]2[C@@H](Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000014263046 561738777 /nfs/dbraw/zinc/73/87/77/561738777.db2.gz KJQHHFWZKACGAF-HZFUHODCSA-N 0 1 533.556 7.730 1 0 KKAFMN CC[C@@H](C)c1nc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)[nH]c1=O ZINC000014957929 561748160 /nfs/dbraw/zinc/74/81/60/561748160.db2.gz CROIFEYJWRGEQT-JOCHJYFZSA-N 0 1 533.676 6.098 1 0 KKAFMN COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=O)oc21 ZINC000014962081 561748728 /nfs/dbraw/zinc/74/87/28/561748728.db2.gz ZKEDQDYNSHAHAO-UHFFFAOYSA-N 0 1 548.437 5.139 1 0 KKAFMN O=C(Nc1ccc(Oc2ccc3nc(NC(=O)c4cccnc4)[nH]c3c2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000014965600 561749810 /nfs/dbraw/zinc/74/98/10/561749810.db2.gz WXYYRQNZFXOQGI-UHFFFAOYSA-N 0 1 550.472 6.804 1 0 KKAFMN O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022933119 561760508 /nfs/dbraw/zinc/76/05/08/561760508.db2.gz MFBXPPRGYOZFFQ-UHFFFAOYSA-N 0 1 509.641 5.161 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnnc5ccccc54)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952985 561761358 /nfs/dbraw/zinc/76/13/58/561761358.db2.gz MFIYIBDYEMBAKC-UHFFFAOYSA-N 0 1 592.622 5.299 3 0 KKAFMN CN1CCN(Cc2c3ccccc3sc2C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000023359279 561762106 /nfs/dbraw/zinc/76/21/06/561762106.db2.gz VCMKFROKSDQHLO-UHFFFAOYSA-N 0 1 553.515 6.460 1 0 KKAFMN CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc65)ccc4o3)ccc2Cl)CC1 ZINC000023359484 561762131 /nfs/dbraw/zinc/76/21/31/561762131.db2.gz HNIQXZXCYMQABS-UHFFFAOYSA-N 0 1 500.002 6.313 1 0 KKAFMN CC[C@@H](c1cc(Br)c(O)c(Br)c1)[C@H](CC)c1ccc(O)c(Br)c1 ZINC000025966347 561763145 /nfs/dbraw/zinc/76/31/45/561763145.db2.gz CYHLJVJTZORJDH-OLZOCXBDSA-N 0 1 507.060 7.073 1 0 KKAFMN O=S(=O)(c1cccc2ccccc21)N1Cc2ccccc2N(Cc2cnc[nH]2)[C@H](CCc2ccccc2)C1 ZINC000025981044 561763871 /nfs/dbraw/zinc/76/38/71/561763871.db2.gz JRGUHOSLFBIWAQ-MUUNZHRXSA-N 0 1 522.674 5.775 1 0 KKAFMN COc1ccccc1OCCN1CCN(c2cnn(CCCCCCN3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026187482 561772813 /nfs/dbraw/zinc/77/28/13/561772813.db2.gz ZLRROAUTLNAPJK-UHFFFAOYSA-N 0 1 643.660 5.142 1 0 KKAFMN Cc1ccc(S(=O)(=O)NCCCCN2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026189286 561773213 /nfs/dbraw/zinc/77/32/13/561773213.db2.gz LVISBZKPLIJIAQ-XTEPFMGCSA-N 0 1 511.638 5.342 1 0 KKAFMN COc1ccc([C@@H](CCCCCCN2Cc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026263465 561775893 /nfs/dbraw/zinc/77/58/93/561775893.db2.gz JVIBCEVSLTYPFB-JGCGQSQUSA-N 0 1 535.750 7.829 1 0 KKAFMN COC(=O)[C@@](CCCN1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026282081 561779185 /nfs/dbraw/zinc/77/91/85/561779185.db2.gz LEPRSEYFDFHJBY-YTTGMZPUSA-N 0 1 565.732 6.029 1 0 KKAFMN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026389532 561785443 /nfs/dbraw/zinc/78/54/43/561785443.db2.gz ARHFVLWSFVICTP-OVTYDFDSSA-N 0 1 735.778 6.111 1 0 KKAFMN CC(C)CCN(c1ccc(NCC[C@@H](C)O)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026498930 561794916 /nfs/dbraw/zinc/79/49/16/561794916.db2.gz RMNBMSAPTRQBGL-JOMNFKBKSA-N 0 1 571.851 5.713 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026495576 561794343 /nfs/dbraw/zinc/79/43/43/561794343.db2.gz AKMPPEHIIYDFBC-RYXSGMGPSA-N 0 1 591.626 5.943 1 0 KKAFMN COc1ncc(Cc2cn(CC(=O)N(CCN(C)C)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026577464 561801523 /nfs/dbraw/zinc/80/15/23/561801523.db2.gz IZQNPOJPVTXOGP-UHFFFAOYSA-N 0 1 687.241 5.975 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 ZINC000026577533 561801777 /nfs/dbraw/zinc/80/17/77/561801777.db2.gz JAGRLYPMZPJKJU-CFCWSMIUSA-N 0 1 583.647 5.826 1 0 KKAFMN CN(C)C(=O)c1cnc2c(Cl)cccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 ZINC000026642588 561806962 /nfs/dbraw/zinc/80/69/62/561806962.db2.gz GCDVKULSRAUNGQ-UHFFFAOYSA-N 0 1 550.025 5.155 1 0 KKAFMN CCOC(=O)[C@H](CC(C)C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026669453 561812035 /nfs/dbraw/zinc/81/20/35/561812035.db2.gz PVTFSFOLZGVZIC-ZTTXAYQISA-N 0 1 729.985 5.100 1 0 KKAFMN COc1ccc(COc2ccc(-c3cc(/C=C4/C[N@H+]5CC[C@H]4C5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026716737 561814192 /nfs/dbraw/zinc/81/41/92/561814192.db2.gz IBWKUSSSMFKEDB-UQZWFDBPSA-N 0 1 524.617 6.236 1 0 KKAFMN COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CC[C@H]4C5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026716737 561814193 /nfs/dbraw/zinc/81/41/93/561814193.db2.gz IBWKUSSSMFKEDB-UQZWFDBPSA-N 0 1 524.617 6.236 1 0 KKAFMN O=C([O-])[C@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026753003 561820176 /nfs/dbraw/zinc/82/01/76/561820176.db2.gz WUHUVZJYMLYIBB-YPKYBTACSA-N 0 1 518.742 5.585 1 0 KKAFMN O=C([O-])[C@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026753003 561820178 /nfs/dbraw/zinc/82/01/78/561820178.db2.gz 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CON(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000027299495 561848707 /nfs/dbraw/zinc/84/87/07/561848707.db2.gz UWBGLUNBUMFOSR-QOEXFKEZSA-N 0 1 677.846 5.147 1 0 KKAFMN O=C(Nc1ccc(F)cc1)N1CCN(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000027441872 561860846 /nfs/dbraw/zinc/86/08/46/561860846.db2.gz WSXDSEMULMKBGL-OAQYLSRUSA-N 0 1 604.318 5.669 1 0 KKAFMN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)N)c2)C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1 ZINC000027633593 561874136 /nfs/dbraw/zinc/87/41/36/561874136.db2.gz UMLDLWMDFVEGKD-HKFHRXRESA-N 0 1 675.940 5.417 1 0 KKAFMN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)N)c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(C)C)c1 ZINC000027630992 561873846 /nfs/dbraw/zinc/87/38/46/561873846.db2.gz AAQGLVFLWHWSKW-XIFFEERXSA-N 0 1 677.912 5.343 1 0 KKAFMN CC(C)(C)c1cc(I)c2c(c1)CNC1(CCC3(CC1)NCc1cc(C(C)(C)C)cc(I)c1O3)O2 ZINC000027651768 561876673 /nfs/dbraw/zinc/87/66/73/561876673.db2.gz BGUROOIJMCCSJS-UHFFFAOYSA-N 0 1 686.416 7.122 1 0 KKAFMN COC(=O)c1nc2ccc(CC[NH2+]C[C@@H](C)c3c4cc(C(C)(C)C(=O)N5CC6CCC5CC6)ccc4[nH]c3-c3cc(C)cc(C)c3)cc2[n-]1 ZINC000027979572 561891405 /nfs/dbraw/zinc/89/14/05/561891405.db2.gz VUEWGUYETSYJTE-WPCLDFDBSA-N 0 1 659.875 7.729 1 0 KKAFMN COc1ccc(OCCCN2CCN(CCc3ccc(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007001 561895801 /nfs/dbraw/zinc/89/58/01/561895801.db2.gz WHCGPGKLISUXOR-XIFFEERXSA-N 0 1 591.774 5.499 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028010739 561896287 /nfs/dbraw/zinc/89/62/87/561896287.db2.gz MDTAKMHHAHITNR-ONPYCXCXSA-N 0 1 560.758 6.027 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028010739 561896288 /nfs/dbraw/zinc/89/62/88/561896288.db2.gz MDTAKMHHAHITNR-ONPYCXCXSA-N 0 1 560.758 6.027 1 0 KKAFMN CCn1ncc(C(=O)c2ccccc2)c1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011495 561896494 /nfs/dbraw/zinc/89/64/94/561896494.db2.gz RQENQUZYSHUSAF-DEIXXNFJSA-N 0 1 582.789 6.063 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018010 561897860 /nfs/dbraw/zinc/89/78/60/561897860.db2.gz IIVZUBFHVGRROU-KUYURNMDSA-N 0 1 560.758 6.027 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028020932 561898354 /nfs/dbraw/zinc/89/83/54/561898354.db2.gz BLLRESRTLSJGCS-FCWLVIOWSA-N 0 1 630.849 6.960 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028020932 561898356 /nfs/dbraw/zinc/89/83/56/561898356.db2.gz BLLRESRTLSJGCS-FCWLVIOWSA-N 0 1 630.849 6.960 1 0 KKAFMN CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022949 561898795 /nfs/dbraw/zinc/89/87/95/561898795.db2.gz ZDKXQXAQSWXSLV-LOZBNSEJSA-N 0 1 664.888 5.965 1 0 KKAFMN CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022949 561898797 /nfs/dbraw/zinc/89/87/97/561898797.db2.gz ZDKXQXAQSWXSLV-LOZBNSEJSA-N 0 1 664.888 5.965 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095039 561900674 /nfs/dbraw/zinc/90/06/74/561900674.db2.gz YYKXMAVSPFGIFC-HMQVCXRFSA-N 0 1 604.811 6.426 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095039 561900676 /nfs/dbraw/zinc/90/06/76/561900676.db2.gz YYKXMAVSPFGIFC-HMQVCXRFSA-N 0 1 604.811 6.426 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099428 561901400 /nfs/dbraw/zinc/90/14/00/561901400.db2.gz FAZPCIDHXLZGET-MQMFKJKRSA-N 0 1 628.755 7.046 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099428 561901401 /nfs/dbraw/zinc/90/14/01/561901401.db2.gz FAZPCIDHXLZGET-MQMFKJKRSA-N 0 1 628.755 7.046 1 0 KKAFMN CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028100405 561901545 /nfs/dbraw/zinc/90/15/45/561901545.db2.gz GVWWVDUMZPBPEO-MKJJNCKNSA-N 0 1 700.921 6.860 1 0 KKAFMN CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028100405 561901546 /nfs/dbraw/zinc/90/15/46/561901546.db2.gz GVWWVDUMZPBPEO-MKJJNCKNSA-N 0 1 700.921 6.860 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018010 561897858 /nfs/dbraw/zinc/89/78/58/561897858.db2.gz IIVZUBFHVGRROU-KUYURNMDSA-N 0 1 560.758 6.027 1 0 KKAFMN 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CHUPOJRARUNHOV-ZOYWYXQUSA-N 0 1 672.802 5.094 1 0 KKAFMN CCc1cc(Nc2cc(=O)n(CCCCC[N@H+]3C[C@@H]4CCCN(c5cc6c(cc5F)c(=O)c(C(=O)[O-])cn6C5CC5)[C@@H]4C3)c(=O)[nH]2)ccc1C ZINC000028569521 561938199 /nfs/dbraw/zinc/93/81/99/561938199.db2.gz MVSJSTSMTQLHJA-OGVWKLGRSA-N 0 1 684.813 5.409 1 0 KKAFMN Cc1ccccc1-c1cnc(N2CCN(C)CC2)cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028571760 561939516 /nfs/dbraw/zinc/93/95/16/561939516.db2.gz FMOSQGKXVTZCKM-UHFFFAOYSA-N 0 1 578.601 6.787 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000028604112 561940595 /nfs/dbraw/zinc/94/05/95/561940595.db2.gz KONFIVQSOWLBHD-WEVVVXLNSA-N 0 1 591.889 6.815 1 0 KKAFMN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(=O)c2c(O)cc(-c3ccccc3Cl)oc1-2 ZINC000028639835 561942720 /nfs/dbraw/zinc/94/27/20/561942720.db2.gz CVJQADWAPLLQLW-OAQYLSRUSA-N 0 1 534.996 5.894 1 0 KKAFMN Cc1ccccc1N1CCN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 ZINC000028702697 561947185 /nfs/dbraw/zinc/94/71/85/561947185.db2.gz KOWXOUSZBZVURT-NRFANRHFSA-N 0 1 585.618 5.684 1 0 KKAFMN CCCCCCOc1cc(-c2cc(O)c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc-3o2)ccc1OC ZINC000028703048 561947624 /nfs/dbraw/zinc/94/76/24/561947624.db2.gz YLZNOBTVIDYVKA-UHFFFAOYSA-N 0 1 690.790 5.882 1 0 KKAFMN CCCCCCOc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3o2)ccc1OC ZINC000028703048 561947625 /nfs/dbraw/zinc/94/76/25/561947625.db2.gz YLZNOBTVIDYVKA-UHFFFAOYSA-N 0 1 690.790 5.882 1 0 KKAFMN CN1CCc2cc(Br)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000028704234 561948423 /nfs/dbraw/zinc/94/84/23/561948423.db2.gz QKCWJUZPSFBAKW-UHFFFAOYSA-N 0 1 505.865 5.601 1 0 KKAFMN Cc1cccn2cc(-c3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc12 ZINC000028711435 561951944 /nfs/dbraw/zinc/95/19/44/561951944.db2.gz FBEPBNQZIQSTRT-UHFFFAOYSA-N 0 1 509.481 6.598 1 0 KKAFMN COc1ccc(-c2nc3ccc(C4=NN(Cc5ccc(-c6ccccc6-c6nn[nH]n6)cc5)C(=O)C[C@@H]4C)cc3[nH]2)cc1 ZINC000028755491 561955604 /nfs/dbraw/zinc/95/56/04/561955604.db2.gz BLOPDJCCPUCMPV-FQEVSTJZSA-N 0 1 568.641 5.858 1 0 KKAFMN C1CN1[P@]1(N2CCCC2)=NP(N2CCCC2)(N2CCCC2)=NP(N2CCCC2)(N2CCCC2)=N1 ZINC000028762818 561958521 /nfs/dbraw/zinc/95/85/21/561958521.db2.gz OYMMTJNUXUOWBO-UHFFFAOYSA-N 0 1 527.579 5.633 1 0 KKAFMN CC(=O)c1sc(NC(=O)N2CN(C(=O)OC(C)(C)C)C[C@@H]2CN2CCC(Cc3ccc(F)cc3)CC2)nc1C ZINC000028821848 561966558 /nfs/dbraw/zinc/96/65/58/561966558.db2.gz QJHFMHUMMDKHPX-QHCPKHFHSA-N 0 1 559.708 5.159 1 0 KKAFMN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2cn1 ZINC000028866697 561973570 /nfs/dbraw/zinc/97/35/70/561973570.db2.gz BOVLJEHCWHCQPQ-UHFFFAOYSA-N 0 1 549.719 6.478 1 0 KKAFMN CCC(=O)Cn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874676 561975242 /nfs/dbraw/zinc/97/52/42/561975242.db2.gz RYICDTOOZAJHGG-NDEPHWFRSA-N 0 1 507.675 5.230 1 0 KKAFMN CCCNC(=O)c1cccc(-c2cc3c(o2)c(OC)ccc3CN2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000028878011 561976079 /nfs/dbraw/zinc/97/60/79/561976079.db2.gz CLXDZRSCENQCJO-UHFFFAOYSA-N 0 1 514.622 5.824 1 0 KKAFMN COCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(C)C[C@H](C)c3ccco3)sc21 ZINC000028901692 561980012 /nfs/dbraw/zinc/98/00/12/561980012.db2.gz MNRSOCSLHRGHDZ-SFHVURJKSA-N 0 1 528.074 5.121 1 0 KKAFMN CCN(CC)CCN1CCC(S(=O)(=O)c2ccc(Nc3nnc4cc(-c5cc(O)ccc5Cl)cc(C)c4n3)cc2)CC1 ZINC000028957682 561983232 /nfs/dbraw/zinc/98/32/32/561983232.db2.gz IGLCDBGHDFMOIL-UHFFFAOYSA-N 0 1 609.196 5.683 1 0 KKAFMN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc(NCCN3CCN(C)CC3)sc2c1 ZINC000029126366 561998530 /nfs/dbraw/zinc/99/85/30/561998530.db2.gz GAGYRKFYVGPZEX-UHFFFAOYSA-N 0 1 596.679 5.787 1 0 KKAFMN Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(C(F)(F)C(F)(F)F)oc4cc3CC2)n1C ZINC000029126853 561999135 /nfs/dbraw/zinc/99/91/35/561999135.db2.gz DOTHXJXYLNKQOQ-UHFFFAOYSA-N 0 1 542.534 5.157 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(N6CCCCC6)oc5cc4CC3)n2C)n1 ZINC000029126901 561999252 /nfs/dbraw/zinc/99/92/52/561999252.db2.gz QWRZAQFQULNINP-UHFFFAOYSA-N 0 1 567.763 6.053 1 0 KKAFMN CCc1noc2cc3c(cc21)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126997 561999378 /nfs/dbraw/zinc/99/93/78/561999378.db2.gz RTMHXVRCXRAHLV-UHFFFAOYSA-N 0 1 512.683 5.625 1 0 KKAFMN Cc1nc2cc3c(c(C)c2o1)CCN([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127035 561999414 /nfs/dbraw/zinc/99/94/14/561999414.db2.gz COKSKIXACCXTRS-IBGZPJMESA-N 0 1 526.710 6.068 1 0 KKAFMN COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc(OC)c1OC ZINC000029220263 562007081 /nfs/dbraw/zinc/00/70/81/562007081.db2.gz UKLQRRVICLDJKJ-UHFFFAOYSA-N 0 1 594.774 6.104 1 0 KKAFMN COc1ccccc1N1CC[NH+](CCCOc2ccc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)cc2OCc2ccccc2)CC1 ZINC000029326948 562013541 /nfs/dbraw/zinc/01/35/41/562013541.db2.gz PWGKDARGXJMRHC-UHFFFAOYSA-N 0 1 661.799 6.916 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 ZINC000029311120 562012021 /nfs/dbraw/zinc/01/20/21/562012021.db2.gz WVEGRPXRCYBMGU-PMERELPUSA-N 0 1 606.651 5.260 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)N(C(=O)C[C@@H](O)C(=O)[O-])C3=O)cc1)C(C)(C)O2 ZINC000029564063 562034012 /nfs/dbraw/zinc/03/40/12/562034012.db2.gz YDSUCOXLALPVPE-CXUXJNTHSA-N 0 1 728.864 6.387 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)C(C)(C)O2 ZINC000029568694 562035053 /nfs/dbraw/zinc/03/50/53/562035053.db2.gz VCBUSSFRFSIRMS-WXWTWREUSA-N 0 1 612.792 7.313 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)C(C)(C)O2 ZINC000029568694 562035056 /nfs/dbraw/zinc/03/50/56/562035056.db2.gz VCBUSSFRFSIRMS-WXWTWREUSA-N 0 1 612.792 7.313 1 0 KKAFMN CCC(=O)C(CCCCCOc1ccc(OCCCCCC(C(=O)CC)=C(O)CC)cc1)=C(O)CC ZINC000033494083 562037258 /nfs/dbraw/zinc/03/72/58/562037258.db2.gz ZHMUEOZXOKOLOJ-UHFFFAOYSA-N 0 1 502.692 6.714 1 0 KKAFMN CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000034026954 562038125 /nfs/dbraw/zinc/03/81/25/562038125.db2.gz HUTHJVYJUPXHDF-DEOSSOPVSA-N 0 1 527.553 5.494 1 0 investigational KKAFMN Cc1ccc2nc(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)nc2c1 ZINC000034272938 562038743 /nfs/dbraw/zinc/03/87/43/562038743.db2.gz IUNXXEDCSLVUNX-UHFFFAOYSA-N 0 1 525.656 6.752 3 0 KKAFMN CN1CCN(Cc2cc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3s2)CC1 ZINC000034663411 562039554 /nfs/dbraw/zinc/03/95/54/562039554.db2.gz XYCZXPVVNCEPEF-UHFFFAOYSA-N 0 1 507.084 5.730 1 0 KKAFMN CCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000038152308 562067142 /nfs/dbraw/zinc/06/71/42/562067142.db2.gz UBOSWZVKFNAYOS-GDLZYMKVSA-N 0 1 517.714 5.911 1 0 KKAFMN C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1 ZINC000038157615 562069291 /nfs/dbraw/zinc/06/92/91/562069291.db2.gz AUFLGFDRZBYTIH-JOCHJYFZSA-N 0 1 621.107 7.044 1 0 KKAFMN Cc1c(Cl)cccc1-c1cc(=O)n(C)c2ccc([C@@](N)(c3cncn3C)c3ccc(Cl)cc3)cc12 ZINC000040379573 562073232 /nfs/dbraw/zinc/07/32/32/562073232.db2.gz KIOOMMQUJQSBPZ-MUUNZHRXSA-N 0 1 503.433 5.805 1 0 KKAFMN CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@]2(O)[C@H](O)C[C@@H]3[C@H](c4cc[nH+]c(N)c4)CC[C@@H]32)[C@H](O)C1 ZINC000085492537 560075188 /nfs/dbraw/zinc/07/51/88/560075188.db2.gz MXIYRMHMXASONI-RWCVXFQXSA-N 0 1 586.814 5.195 1 0 biogenic,in-vitro KKAFMN CC(C)=CCc1c2c(c(O)c3c(=O)c(CC=C(C)C)c(-c4ccc(O)cc4O)oc13)C[C@@H](C(C)(C)O)O2 ZINC000013373203 560215338 /nfs/dbraw/zinc/21/53/38/560215338.db2.gz YJANCZZITMMVGS-QHCPKHFHSA-N 0 1 506.595 5.669 1 0 biogenic,in-vitro KKAFMN O=C([O-])CC[N@H+]1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4cc(F)c(Cl)cc4n3)c2)C1 ZINC000043022199 562644978 /nfs/dbraw/zinc/64/49/78/562644978.db2.gz QBVPBGNONCPCBN-CSKARUKUSA-N 0 1 540.038 7.034 1 0 KKAFMN O=C([O-])CC[N@H+]1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043069939 562645508 /nfs/dbraw/zinc/64/55/08/562645508.db2.gz JNIZCXZKVILDQL-XYOKQWHBSA-N 0 1 522.048 6.894 1 0 KKAFMN O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000043075662 562645695 /nfs/dbraw/zinc/64/56/95/562645695.db2.gz PXRPGWWOEVBVOR-UHFFFAOYSA-N 0 1 517.484 7.799 1 0 KKAFMN O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCC[C@@H](c3ccccc3)C2)nn1)OC1CCCC1 ZINC000043544030 562649602 /nfs/dbraw/zinc/64/96/02/562649602.db2.gz DSQXPFNDAOHWMU-ZMAQEQNXSA-N 0 1 577.773 6.722 1 0 KKAFMN O=C1CC[C@@](CCN2CC(N3CCO[C@H](c4ccccc4)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000043911097 562651205 /nfs/dbraw/zinc/65/12/05/562651205.db2.gz YBYSBOXLPMEIAC-WEZIJMHWSA-N 0 1 578.584 6.202 1 0 KKAFMN CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5nc(cc6[nH]c2c(CC)c6CC)c(CC)c5CC)c(CC)c4CC)[C@H](CC)[C@@]31CC ZINC000044005057 562651375 /nfs/dbraw/zinc/65/13/75/562651375.db2.gz KZRLWZDZXYKABK-VRNKUMEGSA-N 0 1 632.893 9.769 1 0 KKAFMN CCOC(=O)C1=Cc2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2[C@]1(CC)[C@H]6CC)c(CC)c5CC)c(CC)c4CC)c(CC)c3CC ZINC000044005057 562651376 /nfs/dbraw/zinc/65/13/76/562651376.db2.gz KZRLWZDZXYKABK-VRNKUMEGSA-N 0 1 632.893 9.769 1 0 KKAFMN CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2-c2nnc[nH]2)cc1 ZINC000044306701 562653807 /nfs/dbraw/zinc/65/38/07/562653807.db2.gz QLFOLIXAZGHBOP-UHFFFAOYSA-N 0 1 537.671 7.351 1 0 KKAFMN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(Cc4ccc5[nH]c(=O)c(=O)n(Cc6cccnc6)c5c4)CC3)[nH]2)cc1 ZINC000044306760 562653859 /nfs/dbraw/zinc/65/38/59/562653859.db2.gz DJBINAQGDWQBRE-UHFFFAOYSA-N 0 1 599.739 5.296 1 0 KKAFMN CN1CCC(c2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)CC1 ZINC000045188951 562658297 /nfs/dbraw/zinc/65/82/97/562658297.db2.gz GVHRGPOGXIORPO-UHFFFAOYSA-N 0 1 525.878 6.568 1 0 KKAFMN CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000045190458 562658490 /nfs/dbraw/zinc/65/84/90/562658490.db2.gz ITSYIVOJYRZNJS-UHFFFAOYSA-N 0 1 500.952 6.584 1 0 KKAFMN CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045190458 562658491 /nfs/dbraw/zinc/65/84/91/562658491.db2.gz ITSYIVOJYRZNJS-UHFFFAOYSA-N 0 1 500.952 6.584 1 0 KKAFMN COc1ccc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000045287101 562660221 /nfs/dbraw/zinc/66/02/21/562660221.db2.gz SLCBBINUUITQFO-SANMLTNESA-N 0 1 503.605 5.342 1 0 KKAFMN O=C1c2ccccc2S[C@@H](c2c[nH]c3ccccc32)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000045288175 562660236 /nfs/dbraw/zinc/66/02/36/562660236.db2.gz WCJIXYBECUTCQM-MHZLTWQESA-N 0 1 512.616 5.815 1 0 KKAFMN O=C(Cc1cc(=O)oc2cc([O-])ccc12)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045324410 562661196 /nfs/dbraw/zinc/66/11/96/562661196.db2.gz JHGWZUVPECTNNY-UHFFFAOYSA-N 0 1 513.638 5.077 1 0 KKAFMN c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4s3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067629 562663971 /nfs/dbraw/zinc/66/39/71/562663971.db2.gz VJBLQVGHCPRWTP-NDEPHWFRSA-N 0 1 505.691 6.456 1 0 KKAFMN Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCSCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049089146 562664373 /nfs/dbraw/zinc/66/43/73/562664373.db2.gz PYORKCIXTGLRQL-GDLZYMKVSA-N 0 1 503.620 5.352 1 0 KKAFMN CN1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)CCC5CCCC5)cc3)c4N)cc2)CC1 ZINC000049089175 562664406 /nfs/dbraw/zinc/66/44/06/562664406.db2.gz NPSXOCPQKKCBFX-UHFFFAOYSA-N 0 1 523.685 5.306 1 0 KKAFMN Cc1cc2[nH]c(-c3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)cc3F)nc2cc1Cl ZINC000049605122 562665406 /nfs/dbraw/zinc/66/54/06/562665406.db2.gz NIQAEKHMTXZQNH-UHFFFAOYSA-N 0 1 540.470 5.926 1 0 KKAFMN Cc1cc(OCCC[NH+]2CCC([N-]S(=O)(=O)c3cc(Br)c(Cl)s3)CC2)c2ccccc2n1 ZINC000049605480 562665979 /nfs/dbraw/zinc/66/59/79/562665979.db2.gz UXEVGCCRKJCQBZ-UHFFFAOYSA-N 0 1 558.951 5.232 1 0 KKAFMN C[NH+](C)CCOc1ccc(NC(=O)NC(C)(C)c2nc(-c3ccc(Cl)c([O-])c3)c(-c3ccncc3)[nH]2)cc1 ZINC000049605518 562665990 /nfs/dbraw/zinc/66/59/90/562665990.db2.gz SSHPLHRQFSBKPJ-UHFFFAOYSA-N 0 1 535.048 5.495 1 0 KKAFMN C[NH+](C)CCOc1ccc(NC(=O)NC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c([O-])c3)[nH]2)cc1 ZINC000049605518 562665991 /nfs/dbraw/zinc/66/59/91/562665991.db2.gz SSHPLHRQFSBKPJ-UHFFFAOYSA-N 0 1 535.048 5.495 1 0 KKAFMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000049626225 562667063 /nfs/dbraw/zinc/66/70/63/562667063.db2.gz QUAMCQQOGHXFGQ-UHFFFAOYSA-N 0 1 527.362 6.138 1 0 KKAFMN Nc1nc2c(ccnc2-c2[nH]c(Br)c(CCc3ccc(C(F)(F)F)cc3)c2Br)[nH]1 ZINC000049695542 562670753 /nfs/dbraw/zinc/67/07/53/562670753.db2.gz GGXJBHYUAKGZKK-UHFFFAOYSA-N 0 1 529.158 5.864 1 0 KKAFMN COc1ccc([C@H](CCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679943 562669050 /nfs/dbraw/zinc/66/90/50/562669050.db2.gz NGGJCHLWJLXTQR-IRPSRAIASA-N 0 1 642.797 6.229 1 0 KKAFMN Nc1nc2c(ccnc2-c2[nH]c(Br)c(CCc3ccccc3C(F)(F)F)c2Br)[nH]1 ZINC000049694729 562669694 /nfs/dbraw/zinc/66/96/94/562669694.db2.gz LUSSDWCHBQOYGL-UHFFFAOYSA-N 0 1 529.158 5.864 1 0 KKAFMN Cc1ccc(C(OC[C@@H](O)CN2CCN(C[C@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049694752 562669745 /nfs/dbraw/zinc/66/97/45/562669745.db2.gz VGTHCHXFYHAGIH-UWXQCODUSA-N 0 1 622.850 6.172 1 0 KKAFMN C[C@H](CC[N@H+](Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1)Oc1cccc(CC(=O)[O-])c1 ZINC000049695239 562670306 /nfs/dbraw/zinc/67/03/06/562670306.db2.gz XFIORQLIQIPEBM-XMMPIXPASA-N 0 1 596.089 8.478 1 0 KKAFMN O=C(NCc1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000049708605 562671017 /nfs/dbraw/zinc/67/10/17/562671017.db2.gz MZRRETNYTZMNMR-UHFFFAOYSA-N 0 1 607.413 6.412 1 0 KKAFMN COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1N1CC[NH+](CC(C)C)CC1 ZINC000049710603 562671717 /nfs/dbraw/zinc/67/17/17/562671717.db2.gz LGFREFZAQBWKTK-UHFFFAOYSA-N 0 1 590.668 5.545 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(Cn5cnnn5)cc4nc3-c3ccccc3)cc2)CC1 ZINC000049723090 562672901 /nfs/dbraw/zinc/67/29/01/562672901.db2.gz XGKYQSYCRAKAPI-UHFFFAOYSA-N 0 1 593.695 5.479 1 0 KKAFMN FC(F)(F)c1ccc2nc(-c3ccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)s3)[nH]c2c1 ZINC000049745178 562673703 /nfs/dbraw/zinc/67/37/03/562673703.db2.gz OCSLRAQVINBTOG-UHFFFAOYSA-N 0 1 530.579 6.848 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000049756023 562674735 /nfs/dbraw/zinc/67/47/35/562674735.db2.gz RAENMKUYBSVPAO-WUXMJOGZSA-N 0 1 569.480 6.134 1 0 KKAFMN CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000049756550 562675106 /nfs/dbraw/zinc/67/51/06/562675106.db2.gz MRMMGDLQIQYRDA-JNTXBSKJSA-N 0 1 590.798 5.610 1 0 KKAFMN Cc1ccc(NC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049756868 562675302 /nfs/dbraw/zinc/67/53/02/562675302.db2.gz HDHDPRIKYKNFQA-UHFFFAOYSA-N 0 1 586.496 6.666 1 0 KKAFMN Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2ccccc2C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049756868 562675303 /nfs/dbraw/zinc/67/53/03/562675303.db2.gz HDHDPRIKYKNFQA-UHFFFAOYSA-N 0 1 586.496 6.666 1 0 KKAFMN COc1cc2c(cc1OCCCCCCN1CCN(C(=O)c3ccccc3NCc3ccncc3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049776997 562679493 /nfs/dbraw/zinc/67/94/93/562679493.db2.gz JGXCQBBQRBQGBJ-NDEPHWFRSA-N 0 1 624.786 5.420 1 0 KKAFMN COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3ccccc3NCc3coc4ccccc4c3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777179 562679746 /nfs/dbraw/zinc/67/97/46/562679746.db2.gz ILXYXYXLACPCHG-NDEPHWFRSA-N 0 1 677.802 5.741 1 0 KKAFMN O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049780194 562681406 /nfs/dbraw/zinc/68/14/06/562681406.db2.gz ZUFUIYOZVFSEPX-DYKQPOOOSA-N 0 1 542.723 6.714 1 0 KKAFMN COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3ccccc3NCc3ccncc3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049780281 562681558 /nfs/dbraw/zinc/68/15/58/562681558.db2.gz OSUIWAZYWFTOBU-MHZLTWQESA-N 0 1 610.759 5.030 1 0 KKAFMN COc1cccc(CN(C[C@@H](Cc2ccccc2)NC(=O)OCc2nccs2)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)c1 ZINC000049780322 562681616 /nfs/dbraw/zinc/68/16/16/562681616.db2.gz PEKRVEUKQJQVHP-IOWSJCHKSA-N 0 1 685.872 6.486 1 0 KKAFMN O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCCN1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049780353 562681671 /nfs/dbraw/zinc/68/16/71/562681671.db2.gz QUSWFPJNJNRRPJ-IZZDOVSWSA-N 0 1 540.989 5.647 1 0 KKAFMN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCN2CCN(C)CC2)ncn1 ZINC000049780439 562681710 /nfs/dbraw/zinc/68/17/10/562681710.db2.gz DUSWCXDALWVDSK-UHFFFAOYSA-N 0 1 629.691 5.798 1 0 KKAFMN Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049802374 562685658 /nfs/dbraw/zinc/68/56/58/562685658.db2.gz WDPFLACZLYWILA-XMMPIXPASA-N 0 1 579.101 5.083 1 0 KKAFMN O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000049852129 562688795 /nfs/dbraw/zinc/68/87/95/562688795.db2.gz ODHPFDFHGLILJV-WJOKGBTCSA-N 0 1 702.273 5.781 1 0 KKAFMN O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000049852129 562688796 /nfs/dbraw/zinc/68/87/96/562688796.db2.gz ODHPFDFHGLILJV-WJOKGBTCSA-N 0 1 702.273 5.781 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867220 562689353 /nfs/dbraw/zinc/68/93/53/562689353.db2.gz RLWWCATZTPAPKW-JIZBBPSKSA-N 0 1 541.736 6.194 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867220 562689354 /nfs/dbraw/zinc/68/93/54/562689354.db2.gz RLWWCATZTPAPKW-JIZBBPSKSA-N 0 1 541.736 6.194 1 0 KKAFMN CCC[C@H]1CCCCN1C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1 ZINC000049872373 562689975 /nfs/dbraw/zinc/68/99/75/562689975.db2.gz XTXUJHNEHHATPI-NRFANRHFSA-N 0 1 548.485 7.062 1 0 KKAFMN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2Cl)cc1 ZINC000049881715 562691076 /nfs/dbraw/zinc/69/10/76/562691076.db2.gz HWASIWRDDYUNPA-NRFANRHFSA-N 0 1 557.927 5.503 1 0 KKAFMN COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](c3ccccc3)[N@@H+](C)CCCC(=O)[O-])c2=O)c1F ZINC000049898599 562692681 /nfs/dbraw/zinc/69/26/81/562692681.db2.gz SSTWFLYMZFXJLL-SANMLTNESA-N 0 1 645.625 5.877 1 0 KKAFMN O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CC[NH+]2CCC(O)CC2)cc1 ZINC000049898900 562693023 /nfs/dbraw/zinc/69/30/23/562693023.db2.gz BCIDNTXIJHEESE-UHFFFAOYSA-N 0 1 716.300 6.171 1 0 KKAFMN O=C(NCCN1CCC(c2ccncc2)CC1)c1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000049918001 562694240 /nfs/dbraw/zinc/69/42/40/562694240.db2.gz FBNCGOSCVOPMLW-UHFFFAOYSA-N 0 1 585.712 6.761 1 0 KKAFMN O=C(Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1)Nc1ccc(F)c(F)c1F ZINC000049918061 562694370 /nfs/dbraw/zinc/69/43/70/562694370.db2.gz LTNANYFEZLBHJP-UHFFFAOYSA-N 0 1 526.440 7.977 1 0 KKAFMN CN1CCN(c2ccc(-c3cnn4c3nccc4-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2)CC1 ZINC000049926547 562694737 /nfs/dbraw/zinc/69/47/37/562694737.db2.gz DNDVGFIEWOHGAH-UHFFFAOYSA-N 0 1 557.580 5.481 1 0 KKAFMN CCc1ccc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000053050493 562696142 /nfs/dbraw/zinc/69/61/42/562696142.db2.gz ORWVKNRINMANEF-UHFFFAOYSA-N 0 1 615.641 5.361 1 0 KKAFMN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000053059129 562696164 /nfs/dbraw/zinc/69/61/64/562696164.db2.gz YNJXLRWECIJSPA-UHFFFAOYSA-N 0 1 603.649 6.112 1 0 in-vitro KKAFMN O=C(CCCCCN1c2ccccc2Sc2ccccc21)NCc1ccc(CN2CCOCCOCCOCCOCC2)cc1 ZINC000053188641 562696437 /nfs/dbraw/zinc/69/64/37/562696437.db2.gz VDBWNYCPNLLUCE-UHFFFAOYSA-N 0 1 633.855 6.048 1 0 KKAFMN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 ZINC000053243810 562696874 /nfs/dbraw/zinc/69/68/74/562696874.db2.gz YGKUWFNPRSRENZ-LJAQVGFWSA-N 0 1 533.713 5.617 1 0 KKAFMN O=c1cc(OCc2ccc(Cl)nc2)cc2oc(-c3ccc(OCc4ccc(Cl)nc4)cc3)cc(O)c1-2 ZINC000053276533 562697086 /nfs/dbraw/zinc/69/70/86/562697086.db2.gz BATUOPVUCCEVJZ-UHFFFAOYSA-N 0 1 521.356 6.420 1 0 KKAFMN O=c1cc(-c2ccc(OCc3ccc(Cl)nc3)cc2)oc2cc(OCc3ccc(Cl)nc3)cc(O)c12 ZINC000053276533 562697087 /nfs/dbraw/zinc/69/70/87/562697087.db2.gz BATUOPVUCCEVJZ-UHFFFAOYSA-N 0 1 521.356 6.420 1 0 KKAFMN CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000058522951 562698538 /nfs/dbraw/zinc/69/85/38/562698538.db2.gz MRMMGDLQIQYRDA-MVJHEQRDSA-N 0 1 590.798 5.610 1 0 KKAFMN O=C(N[C@H](c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061905699 562703039 /nfs/dbraw/zinc/70/30/39/562703039.db2.gz WKOVGSLPZKLPJM-RUZDIDTESA-N 0 1 518.872 6.038 3 0 KKAFMN Nc1[nH]nc2c1c(-c1ccc(NC(=O)Nc3cccc(Cl)c3)cc1)ccc2OCCCn1cccc1 ZINC000063540285 562704540 /nfs/dbraw/zinc/70/45/40/562704540.db2.gz GSYNTOXSBKQRAW-UHFFFAOYSA-N 0 1 500.990 6.380 1 0 KKAFMN CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4ccc(OC)cc4[nH]3)cc2[C@H]1c1ccc(Cl)cc1 ZINC000064446764 562705309 /nfs/dbraw/zinc/70/53/09/562705309.db2.gz WNOORWCZHRCVMF-JOCHJYFZSA-N 0 1 507.999 5.634 1 0 KKAFMN CCN1CC2=C(N=C3N(c4ccc(Cl)cc4)N=C(C(C)=O)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447506 562705389 /nfs/dbraw/zinc/70/53/89/562705389.db2.gz BWLFYVMGFWJXLQ-BNMUCDHPSA-N 0 1 550.106 6.765 1 0 KKAFMN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)C[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000064448887 562705588 /nfs/dbraw/zinc/70/55/88/562705588.db2.gz VNUQQIBXPYYBII-WJOKGBTCSA-N 0 1 590.189 5.299 1 0 KKAFMN Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(OCCOc3ccccc3)cc2n1-c1ccccc1 ZINC000064527641 562707070 /nfs/dbraw/zinc/70/70/70/562707070.db2.gz VSKXHTKFUAQYIC-UHFFFAOYSA-N 0 1 563.673 6.172 1 0 KKAFMN COC(=O)c1c(Cl)cc(Cl)cc1OC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000066066103 562709274 /nfs/dbraw/zinc/70/92/74/562709274.db2.gz AFNXCFGDKYKTSW-UHFFFAOYSA-N 0 1 515.301 5.243 1 0 KKAFMN Clc1cccc(N2CCN(CCCCNc3nc4ccccc4c(NCc4ccco4)n3)CC2)c1Cl ZINC000066075742 562710030 /nfs/dbraw/zinc/71/00/30/562710030.db2.gz LRTFVZOJATWSOS-UHFFFAOYSA-N 0 1 525.484 6.156 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000066079096 562710599 /nfs/dbraw/zinc/71/05/99/562710599.db2.gz SIAQPNFTQQNHGO-PMERELPUSA-N 0 1 623.722 7.162 1 0 KKAFMN O=C(CN1CCCC1)Nc1ccc(C(c2ccc(F)cc2)(c2ccc(NC(=O)CN3CCCC3)cc2)C(F)(F)F)cc1 ZINC000066098212 562710903 /nfs/dbraw/zinc/71/09/03/562710903.db2.gz HHBVDYJPPQZRKS-UHFFFAOYSA-N 0 1 582.642 5.791 1 0 KKAFMN C[N@H+](CCN1CCCC1)[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099866 562711155 /nfs/dbraw/zinc/71/11/55/562711155.db2.gz ADWCQRSCTVWPEH-DEOSSOPVSA-N 0 1 501.671 5.843 1 0 KKAFMN C[N@@H+](CCN1CCCC1)[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099866 562711156 /nfs/dbraw/zinc/71/11/56/562711156.db2.gz ADWCQRSCTVWPEH-DEOSSOPVSA-N 0 1 501.671 5.843 1 0 KKAFMN C[C@H](CN[C@@H](C(=O)Nc1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)N1CCOCC1 ZINC000066100833 562711314 /nfs/dbraw/zinc/71/13/14/562711314.db2.gz JSZDJCIBUSBZII-TYZTUCMESA-N 0 1 629.805 6.455 1 0 KKAFMN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCCN2CCSCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066104217 562711666 /nfs/dbraw/zinc/71/16/66/562711666.db2.gz SQQKRSWGMFFDCR-LQCSZWMHSA-N 0 1 583.680 5.258 1 0 KKAFMN CN(C)Cc1cc(C(=O)N[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066123467 562712526 /nfs/dbraw/zinc/71/25/26/562712526.db2.gz WYRQQURJJXPEAL-DEOSSOPVSA-N 0 1 552.597 5.590 1 0 KKAFMN C[C@@H]1CN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3oc4ccccc4c32)C[C@H](C)O1 ZINC000066258629 562714995 /nfs/dbraw/zinc/71/49/95/562714995.db2.gz RGJHDNWUJGGDSL-SZPZYZBQSA-N 0 1 580.685 5.369 1 0 KKAFMN CN1CC[NH+](CCCC(=O)Oc2ccc(-c3ccc(/C=C/C(=O)[O-])cc3)cc2C23CC4CC(CC(C4)C2)C3)CC1 ZINC000068207295 562716021 /nfs/dbraw/zinc/71/60/21/562716021.db2.gz UVHVHIXRVPVLDP-IZZDOVSWSA-N 0 1 542.720 5.852 1 0 KKAFMN O=C(Nc1ccccc1)N1CCc2nc(-c3cccnc3)nc(NCc3cnc(-c4ccccc4)[nH]3)c2C1 ZINC000068249454 562716243 /nfs/dbraw/zinc/71/62/43/562716243.db2.gz SUXIEGABMZYCJH-UHFFFAOYSA-N 0 1 502.582 5.131 1 0 KKAFMN Cn1c(Br)c(Br)c(Br)c1-c1cc(Br)cc(Br)c1O ZINC000071295531 562717271 /nfs/dbraw/zinc/71/72/71/562717271.db2.gz OXKSYHIMCVKEED-UHFFFAOYSA-N 0 1 567.695 6.210 1 0 KKAFMN COc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@H]2c1ccccc1OC ZINC000071341229 562719938 /nfs/dbraw/zinc/71/99/38/562719938.db2.gz VHYNUZUMDXUILC-BHAFLUAZSA-N 0 1 569.061 6.132 1 0 KKAFMN COc1ccc(-n2cc(C(=O)NCCCN3CCN(c4cccc(C)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072106152 562720902 /nfs/dbraw/zinc/72/09/02/562720902.db2.gz SDELPNZPQHTXIM-UHFFFAOYSA-N 0 1 523.681 5.107 1 0 KKAFMN C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000072126791 562725380 /nfs/dbraw/zinc/72/53/80/562725380.db2.gz CWZXBJMDDIOGRX-HYUGZUBYSA-N 0 1 651.776 7.939 1 0 KKAFMN CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072134158 562727260 /nfs/dbraw/zinc/72/72/60/562727260.db2.gz SBLSCNQSOAHLKU-LEIVTSANSA-N 0 1 662.856 6.867 3 0 KKAFMN O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072139730 562729046 /nfs/dbraw/zinc/72/90/46/562729046.db2.gz LQPTVZHZAJXDIG-PMERELPUSA-N 0 1 561.513 6.447 3 0 KKAFMN COc1ccc(CCN(C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)C/C=C\CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000072172292 562730672 /nfs/dbraw/zinc/73/06/72/562730672.db2.gz HYAMGVKMAKVYBM-XOHWUJONSA-N 0 1 723.867 5.806 1 0 KKAFMN CC(C)c1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Nc3ccc4c(c3)C[N@@H+](C)CC4)n2)s1 ZINC000072176153 562731569 /nfs/dbraw/zinc/73/15/69/562731569.db2.gz KLEUWSFCKXAIKJ-UHFFFAOYSA-N 0 1 596.782 6.923 1 0 KKAFMN CC(C)c1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Nc3ccc4c(c3)C[N@H+](C)CC4)n2)s1 ZINC000072176153 562731570 /nfs/dbraw/zinc/73/15/70/562731570.db2.gz KLEUWSFCKXAIKJ-UHFFFAOYSA-N 0 1 596.782 6.923 1 0 KKAFMN Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cc3ccccc3)c2n1-c1ccccc1 ZINC000072181035 562732631 /nfs/dbraw/zinc/73/26/31/562732631.db2.gz UIBPLELQTBSRIZ-UHFFFAOYSA-N 0 1 520.608 5.902 1 0 in-vitro KKAFMN CCC1CCC(C(=O)N[C@H]2Cc3ccc(F)c(n3)CCC(=O)Nc3cc(NC(=O)OC)ccc3-c3nc2[nH]c3Cl)CC1 ZINC000072316247 562733062 /nfs/dbraw/zinc/73/30/62/562733062.db2.gz DCSVISKRQPGGMH-DFSZNTFHSA-N 0 1 597.091 5.944 1 0 KKAFMN O=C(N[C@H](c1ccc(F)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318473 562733248 /nfs/dbraw/zinc/73/32/48/562733248.db2.gz SPLGKYRHYYLJLJ-WTVRZORLSA-N 0 1 570.478 5.613 1 0 KKAFMN Cc1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@@H]2c2ccccc2)CC1 ZINC000082136604 562738897 /nfs/dbraw/zinc/73/88/97/562738897.db2.gz CTGSOWJIAUEWCB-JGCGQSQUSA-N 0 1 675.758 5.611 1 0 KKAFMN Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C(=O)[C@@H]2c2ccccc2)CC1 ZINC000082136615 562738933 /nfs/dbraw/zinc/73/89/33/562738933.db2.gz NZJHWWRGRCHXEQ-YTTGMZPUSA-N 0 1 704.756 5.105 1 0 KKAFMN Cc1nc(Oc2ccc(S(=O)(=O)C(C)C)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136639 562738956 /nfs/dbraw/zinc/73/89/56/562738956.db2.gz JUBMAIYYXCHCGB-UMSFTDKQSA-N 0 1 703.812 6.389 1 0 KKAFMN O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000082138007 562739103 /nfs/dbraw/zinc/73/91/03/562739103.db2.gz YYVCSHFGHNSUDA-UHFFFAOYSA-N 0 1 638.442 6.676 1 0 KKAFMN Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCN(Cc5ccccc5)CC4)ncn3)[nH]c2cc1Cl ZINC000082154540 562740340 /nfs/dbraw/zinc/74/03/40/562740340.db2.gz RSWAXFJUHZPQHD-QHCPKHFHSA-N 0 1 508.457 5.323 1 0 KKAFMN CCN1CCN(C[C@H]2S[C@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157522 562740954 /nfs/dbraw/zinc/74/09/54/562740954.db2.gz UUJNEICCDMYHRP-FHPVIJFVSA-N 0 1 705.889 5.419 1 0 KKAFMN CCN1CCN(C[C@H]2S[C@@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165061 562741324 /nfs/dbraw/zinc/74/13/24/562741324.db2.gz YPTCVVCGFGDLDX-FJQKOURKSA-N 0 1 709.852 5.249 1 0 KKAFMN CCN1CCN(C[C@@H]2S[C@@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165082 562741327 /nfs/dbraw/zinc/74/13/27/562741327.db2.gz QXSAFGQAHODVKD-VBTAUBHQSA-N 0 1 726.307 5.764 1 0 KKAFMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cc(N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)n2)cc1 ZINC000082170428 562741455 /nfs/dbraw/zinc/74/14/55/562741455.db2.gz LECXGIZIWYJDJT-HKBQPEDESA-N 0 1 702.034 7.674 1 0 KKAFMN CC(C)[C@@H](NC(=O)[C@H](NC(=O)C(F)(F)F)C(C)C)C(=O)N[C@@H](C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000082186168 562742387 /nfs/dbraw/zinc/74/23/87/562742387.db2.gz NBEXCWSOFZSABN-PVJOKMEKSA-N 0 1 631.690 5.208 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084512944 562743258 /nfs/dbraw/zinc/74/32/58/562743258.db2.gz QTGSINBFNYAXSI-HYRLGQOJSA-N 0 1 546.731 5.637 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084512944 562743259 /nfs/dbraw/zinc/74/32/59/562743259.db2.gz QTGSINBFNYAXSI-HYRLGQOJSA-N 0 1 546.731 5.637 1 0 KKAFMN O=c1c(OCc2ccccc2)c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(O)c21 ZINC000084564476 562743333 /nfs/dbraw/zinc/74/33/33/562743333.db2.gz JVDLTTOJECGMFV-UHFFFAOYSA-N 0 1 662.738 9.482 1 0 KKAFMN CCn1nc(Cc2ccc(C(C)(C)C)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595490 562743643 /nfs/dbraw/zinc/74/36/43/562743643.db2.gz JQPRDWQRAAFLTI-AUFCLJJTSA-N 0 1 616.866 7.325 1 0 KKAFMN CCn1nc(Cc2ccc(C(C)(C)C)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595490 562743644 /nfs/dbraw/zinc/74/36/44/562743644.db2.gz JQPRDWQRAAFLTI-AUFCLJJTSA-N 0 1 616.866 7.325 1 0 KKAFMN c1ccc(NP2(Nc3ccccc3)=N[P@@]34=NCCCN3CCCCN3CCCN[P@@]3(=N4)N2)cc1 ZINC000084596862 562743868 /nfs/dbraw/zinc/74/38/68/562743868.db2.gz CBELZULLBBUVSA-AQOUDTPCSA-N 0 1 517.499 6.447 1 0 KKAFMN COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3Cl)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 ZINC000084605417 562744329 /nfs/dbraw/zinc/74/43/29/562744329.db2.gz FPWSVHYYCFRKSO-NSHDSACASA-N 0 1 539.341 6.174 1 0 KKAFMN O=C(NCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc(O)c2c([O-])cc(=O)cc-2o1 ZINC000084617326 562744845 /nfs/dbraw/zinc/74/48/45/562744845.db2.gz VXCQEWKLZIACMS-UHFFFAOYSA-N 0 1 557.691 6.594 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000084632229 562745455 /nfs/dbraw/zinc/74/54/55/562745455.db2.gz OYAJBCNCCCHJQB-PTTLIBFYSA-N 0 1 618.838 6.816 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000084632229 562745456 /nfs/dbraw/zinc/74/54/56/562745456.db2.gz OYAJBCNCCCHJQB-PTTLIBFYSA-N 0 1 618.838 6.816 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4ccc5c(c4)[nH]nc5NC(=O)C4CC4)o3)cc2C(F)(F)F)CC1 ZINC000084652993 562746721 /nfs/dbraw/zinc/74/67/21/562746721.db2.gz RQCBKBNLPAIXDM-UHFFFAOYSA-N 0 1 580.611 5.580 1 0 KKAFMN C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CCN(C)CC5)cc4OC)ncc3CN(c3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000084654054 562747167 /nfs/dbraw/zinc/74/71/67/562747167.db2.gz AIYPEEWHMFSHOC-UHFFFAOYSA-N 0 1 682.785 7.176 1 0 KKAFMN CCc1c(CC[N@@H+](C)CC(=O)[O-])cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 ZINC000084688433 562749178 /nfs/dbraw/zinc/74/91/78/562749178.db2.gz NTEKWRTXASZMHF-UHFFFAOYSA-N 0 1 507.578 5.799 1 0 KKAFMN CN1CCN(c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4ccc[nH]4)c3)cc(C(F)(F)F)c2)CC1 ZINC000084714716 562750978 /nfs/dbraw/zinc/75/09/78/562750978.db2.gz JECVRFZSSMBKTJ-VEILYXNESA-N 0 1 586.618 6.274 1 0 KKAFMN O=C(CN1CCCCC1)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)CN7CCCCC7)c6)nn5)cc4c3)nn2)c1 ZINC000084725221 562751254 /nfs/dbraw/zinc/75/12/54/562751254.db2.gz MTKRJYRPSLSHBS-UHFFFAOYSA-N 0 1 694.844 6.184 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(C)cc6)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000095536708 562754089 /nfs/dbraw/zinc/75/40/89/562754089.db2.gz DRQHEEXWOUGFAE-CBZWEFONSA-N 0 1 774.779 6.405 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6)cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000095536764 562754110 /nfs/dbraw/zinc/75/41/10/562754110.db2.gz VVMJPLHVXLEJDP-ROUMXBAISA-N 0 1 815.615 7.095 1 0 KKAFMN COc1ccc(NC(=O)COc2cc(O)c3c(c2)oc(-c2ccc4c(c2)O[C@@H](c2ccc(OCC(=O)Nc5ccc(OC)cc5)c(OC)c2)[C@H](CO)O4)c(O)c3=O)cc1 ZINC000095536771 562754118 /nfs/dbraw/zinc/75/41/18/562754118.db2.gz KISBLJIONNDZHV-MVNOZWHVSA-N 0 1 806.777 5.805 1 0 KKAFMN CN(CCNC(=O)CCC(=O)NCCN(C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536808 562754165 /nfs/dbraw/zinc/75/41/65/562754165.db2.gz LCYYYKXWTFZHIV-UHFFFAOYSA-N 0 1 791.740 5.692 1 0 KKAFMN Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538474 562754826 /nfs/dbraw/zinc/75/48/26/562754826.db2.gz PUUSAKGGLAKPAJ-HXBCBVSGSA-N 0 1 824.832 6.921 1 0 KKAFMN CCOc1cccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000095540340 562755663 /nfs/dbraw/zinc/75/56/63/562755663.db2.gz RGIPYCSQKBJEOA-YAYDYDRESA-N 0 1 604.811 6.426 1 0 KKAFMN CCOc1cccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000095540340 562755664 /nfs/dbraw/zinc/75/56/64/562755664.db2.gz RGIPYCSQKBJEOA-YAYDYDRESA-N 0 1 604.811 6.426 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548860 562759564 /nfs/dbraw/zinc/75/95/64/562759564.db2.gz NEUMPLGRWKXMEG-LVGXKXMISA-N 0 1 754.847 5.600 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548863 562759573 /nfs/dbraw/zinc/75/95/73/562759573.db2.gz NEUMPLGRWKXMEG-VZZVPZGQSA-N 0 1 754.847 5.600 1 0 KKAFMN CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C(/C)C(=O)[O-] ZINC000095554515 562761338 /nfs/dbraw/zinc/76/13/38/562761338.db2.gz HBBITWMHWVZIEH-ZDHOQNNXSA-N 0 1 592.733 5.213 1 0 KKAFMN C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561167 562763284 /nfs/dbraw/zinc/76/32/84/562763284.db2.gz QCZYXTWOIPNMDB-HFJWLAOPSA-N 0 1 500.536 6.036 1 0 KKAFMN C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)[N@H+]2CCCC(C)(C)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095564265 562764255 /nfs/dbraw/zinc/76/42/55/562764255.db2.gz CZUPYRZYLJTQBP-PPHZAIPVSA-N 0 1 513.575 7.911 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095565750 562764663 /nfs/dbraw/zinc/76/46/63/562764663.db2.gz KPNIWBUOMWGGPJ-MKVNITDJSA-N 0 1 698.692 6.455 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095566734 562765203 /nfs/dbraw/zinc/76/52/03/562765203.db2.gz KARWDBSITYBCDY-LRZFZUCMSA-N 0 1 605.607 5.729 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567194 562765585 /nfs/dbraw/zinc/76/55/85/562765585.db2.gz AGQRDMGTSVKJPI-UMQWNRPGSA-N 0 1 599.654 5.025 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567205 562765595 /nfs/dbraw/zinc/76/55/95/562765595.db2.gz SFPDDQJJHIODOQ-JJWUTGECSA-N 0 1 649.619 7.072 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567326 562765659 /nfs/dbraw/zinc/76/56/59/562765659.db2.gz CGLNLVFPHXEQAP-DRGJWEBESA-N 0 1 653.529 7.008 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567452 562765779 /nfs/dbraw/zinc/76/57/79/562765779.db2.gz FZTSQENAZFZQAT-KECSPFHLSA-N 0 1 718.777 6.536 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095567412 562765813 /nfs/dbraw/zinc/76/58/13/562765813.db2.gz DWBBIMOOPOSMMP-NIAOJTHTSA-N 0 1 617.549 6.058 1 0 KKAFMN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095568466 562766667 /nfs/dbraw/zinc/76/66/67/562766667.db2.gz VFUMNYRTPAPJFI-SBCJZHDBSA-N 0 1 627.807 5.815 1 0 KKAFMN COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095569396 562767390 /nfs/dbraw/zinc/76/73/90/562767390.db2.gz KPWIEHUIZOJQLP-ACHOWJBZSA-N 0 1 680.806 5.526 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095569675 562767583 /nfs/dbraw/zinc/76/75/83/562767583.db2.gz GIJXROWDOWXZEB-VBEKBXFHSA-N 0 1 676.726 7.440 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095569923 562767831 /nfs/dbraw/zinc/76/78/31/562767831.db2.gz FORWBLLIOZUMCF-FONBTEPMSA-N 0 1 653.632 6.721 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095570507 562768284 /nfs/dbraw/zinc/76/82/84/562768284.db2.gz SFPDDQJJHIODOQ-SOTYFPCESA-N 0 1 649.619 7.072 1 0 KKAFMN O=C(Cc1ccccc1)O[C@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000095575246 562770234 /nfs/dbraw/zinc/77/02/34/562770234.db2.gz RDEXMUKWTMRQJX-WGKBJPKESA-N 0 1 605.134 6.600 1 0 KKAFMN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@@H+](C)C3)ccc2c(C2CCCC2)c1-c1csc(N)n1 ZINC000095575735 562770427 /nfs/dbraw/zinc/77/04/27/562770427.db2.gz LXABNIQMKOKKBH-UOUHTQAHSA-N 0 1 612.756 5.082 1 0 KKAFMN C[NH+](C)CCOc1ccc(-c2nc(-c3ccc4c([C@H](O)C(F)(F)C(F)(F)F)csc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095588325 562774588 /nfs/dbraw/zinc/77/45/88/562774588.db2.gz MRRAFIQTUKCGLD-SANMLTNESA-N 0 1 588.602 7.192 1 0 KKAFMN COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000095588682 562774705 /nfs/dbraw/zinc/77/47/05/562774705.db2.gz XVBZGONEGCEXLO-YYXXCONNSA-N 0 1 581.669 5.101 1 0 KKAFMN COc1ccc(C(OCC[N@H+]2C[C@](O)(c3ccc(OC)cc3)C[C@@H]2CC(=O)[O-])(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000095595043 562776630 /nfs/dbraw/zinc/77/66/30/562776630.db2.gz FADFTISNLYTMHU-ARPOTICCSA-N 0 1 627.734 5.466 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095599842 562778371 /nfs/dbraw/zinc/77/83/71/562778371.db2.gz LGFCYAUQAJYOOY-GTEDWBNGSA-N 0 1 711.869 6.495 1 0 KKAFMN Cc1cc(C(=O)Nc2cccc(-c3nc4c(ncnc4Nc4cccc(F)c4)[nH]3)c2)ccc1Br ZINC000095602170 562779957 /nfs/dbraw/zinc/77/99/57/562779957.db2.gz WNVASESYHCGDCO-UHFFFAOYSA-N 0 1 517.362 6.226 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095604341 562781011 /nfs/dbraw/zinc/78/10/11/562781011.db2.gz MLNWPGCJBNVZPL-KECSPFHLSA-N 0 1 706.265 5.327 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095605488 562781585 /nfs/dbraw/zinc/78/15/85/562781585.db2.gz DRQNCGZLFKRWDU-OJQFFXEZSA-N 0 1 691.741 7.375 1 0 KKAFMN CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000095607601 562782917 /nfs/dbraw/zinc/78/29/17/562782917.db2.gz JGAITRDERWCFBO-ABAVYFCKSA-N 0 1 587.784 5.956 1 0 KKAFMN CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000095607601 562782918 /nfs/dbraw/zinc/78/29/18/562782918.db2.gz JGAITRDERWCFBO-ABAVYFCKSA-N 0 1 587.784 5.956 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095751624 562788823 /nfs/dbraw/zinc/78/88/23/562788823.db2.gz VIOGDUQZNOFWDO-CBKFLQRHSA-N 0 1 712.762 6.783 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nnc4n3-c3ccccc3Nc3ccccc3-4)cc2)CC1 ZINC000096174061 562791607 /nfs/dbraw/zinc/79/16/07/562791607.db2.gz HCIOGOLEBGXDRR-UHFFFAOYSA-N 0 1 539.643 6.138 1 0 KKAFMN O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174125 562791721 /nfs/dbraw/zinc/79/17/21/562791721.db2.gz NZFMRJDCQKXRIG-UHFFFAOYSA-N 0 1 566.669 6.047 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(CC4CC[NH+](C(C)C)CC4)nc32)c1 ZINC000096175766 562791987 /nfs/dbraw/zinc/79/19/87/562791987.db2.gz MXYHHRUNCDZTKO-UHFFFAOYSA-N 0 1 673.884 6.670 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@@H]4CC[NH2+]C4)nc32)c1 ZINC000096175754 562792003 /nfs/dbraw/zinc/79/20/03/562792003.db2.gz PVJJKPKHVQSUDO-HXUWFJFHSA-N 0 1 603.749 5.084 1 0 KKAFMN Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000096177888 562792423 /nfs/dbraw/zinc/79/24/23/562792423.db2.gz KLVHMGYISDAIRN-NDEPHWFRSA-N 0 1 670.198 6.998 1 0 KKAFMN Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(F)F)n2)c(OC(C)C)cc1C1CCN(C(=O)CN(C)C)CC1 ZINC000096177886 562792437 /nfs/dbraw/zinc/79/24/37/562792437.db2.gz PTNYZZHTIARFIT-UHFFFAOYSA-N 0 1 651.180 5.977 1 0 KKAFMN O=C(CN1CCN(CCCCCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271825 562793862 /nfs/dbraw/zinc/79/38/62/562793862.db2.gz HUQDZMOHVVJHEF-UHFFFAOYSA-N 0 1 644.816 7.083 1 0 KKAFMN COc1cc(=O)oc2cc(OCCCCCN3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271833 562793947 /nfs/dbraw/zinc/79/39/47/562793947.db2.gz IUOBAYQUFIRIFW-UHFFFAOYSA-N 0 1 584.717 5.034 1 0 KKAFMN C=Cc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)[nH+]ccc3c2)n1 ZINC000096283228 562794823 /nfs/dbraw/zinc/79/48/23/562794823.db2.gz RDEWVVNVZDTDJG-UHFFFAOYSA-N 0 1 523.593 5.248 1 0 KKAFMN CCN1CCn2c(cnc2[C@@H](Cc2cc3c[nH]nc3c(C)c2)OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000096284737 562795352 /nfs/dbraw/zinc/79/53/52/562795352.db2.gz VEWKJXMBTJTFJT-GDLZYMKVSA-N 0 1 579.705 5.045 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(F)cc(F)c5OC)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905568 562798518 /nfs/dbraw/zinc/79/85/18/562798518.db2.gz ACVNPBPBFGAAQJ-SGUQQXKUSA-N 0 1 540.607 5.313 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5ccccc5SC)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905570 562798551 /nfs/dbraw/zinc/79/85/51/562798551.db2.gz LPFCIRHMSUPABX-ASAYFREZSA-N 0 1 520.695 5.748 1 0 KKAFMN Cc1ccc(O)c(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2Cl)c1 ZINC000096909592 562799628 /nfs/dbraw/zinc/79/96/28/562799628.db2.gz NWFSVUQPLAQTLG-HFZDXXHNSA-N 0 1 538.088 5.817 1 0 KKAFMN COc1ccccc1Oc1ccc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)cc1 ZINC000096910134 562799911 /nfs/dbraw/zinc/79/99/11/562799911.db2.gz PXRQBQSSYKYALF-WXVAWEFUSA-N 0 1 503.643 5.158 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5ccc(Cl)cc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910306 562799946 /nfs/dbraw/zinc/79/99/46/562799946.db2.gz ALVOMHQKGRTACF-SGUQQXKUSA-N 0 1 527.036 5.818 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5c(F)cc(F)cc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910307 562799955 /nfs/dbraw/zinc/79/99/55/562799955.db2.gz VMQWWHFCRDWYKY-HYFKYTBRSA-N 0 1 528.571 5.443 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5c(F)cccc5Cl)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910303 562799968 /nfs/dbraw/zinc/79/99/68/562799968.db2.gz ZMYBZNHLXOYRKJ-AAWLLVPVSA-N 0 1 527.036 5.818 1 0 KKAFMN COc1ccc(Cc2nc(-c3cc(Br)c(OCCCCN4CCOCC4)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921942 562801577 /nfs/dbraw/zinc/80/15/77/562801577.db2.gz BFZIYAZYUKUKHG-UHFFFAOYSA-N 0 1 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CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)OCc1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C ZINC000150547654 562844503 /nfs/dbraw/zinc/84/45/03/562844503.db2.gz JPTOHDHVXYCMOF-BMYMHALSSA-N 0 1 845.825 6.252 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586036 562845821 /nfs/dbraw/zinc/84/58/21/562845821.db2.gz XUEBXQWSAJBKJO-WNOXWKSXSA-N 0 1 741.878 6.253 1 0 KKAFMN Cc1ccc([C@@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150586663 562845853 /nfs/dbraw/zinc/84/58/53/562845853.db2.gz MFAMOPUOBNKRKO-BYYXFNHRSA-N 0 1 755.905 6.561 1 0 KKAFMN COc1ccc([C@H]2S[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588788 562846021 /nfs/dbraw/zinc/84/60/21/562846021.db2.gz POYPFFFZHMNIBL-HCJVMEMPSA-N 0 1 771.904 6.261 1 0 KKAFMN COc1ccc([C@@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588789 562846051 /nfs/dbraw/zinc/84/60/51/562846051.db2.gz DEHAHKKDJRYULL-RIEGYYRVSA-N 0 1 801.930 6.270 1 0 KKAFMN O=C1O[C@@](c2cc(I)c(O)c(I)c2)(C2C=C(I)C(O)C(I)=C2)c2ccccc21 ZINC000150595760 562846604 /nfs/dbraw/zinc/84/66/04/562846604.db2.gz FGPFCAWBGAMMTF-GVDFTUICSA-N 0 1 823.928 5.644 1 0 KKAFMN CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H]([N-]C(=O)C(F)(F)F)CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\C[NH+](C)C ZINC000150595857 562846645 /nfs/dbraw/zinc/84/66/45/562846645.db2.gz KRIQLQAQGPPGKT-IRNRRZNASA-N 0 1 651.792 6.377 1 0 KKAFMN CS(=O)(=O)Nc1cccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1OCC1CC1 ZINC000150603124 562847386 /nfs/dbraw/zinc/84/73/86/562847386.db2.gz VYFKDGSQQMQLMD-SANMLTNESA-N 0 1 687.545 6.318 1 0 KKAFMN CC(C)N1CCN(c2c(F)cccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606292 562847912 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KKAFMN CC[C@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(OC)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473228948 562904371 /nfs/dbraw/zinc/90/43/71/562904371.db2.gz XHBIASAVWSMLES-YMVVMYQSSA-N 0 1 586.129 5.466 1 0 KKAFMN C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473243791 562904724 /nfs/dbraw/zinc/90/47/24/562904724.db2.gz ASAPCZLPUBNPQY-JTAQYXEDSA-N 0 1 545.051 5.461 1 0 KKAFMN CCc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473243976 562904753 /nfs/dbraw/zinc/90/47/53/562904753.db2.gz GWZDSNZGJHRYEE-PQNGQFLHSA-N 0 1 573.105 6.024 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473243875 562904793 /nfs/dbraw/zinc/90/47/93/562904793.db2.gz CXCNCVYTXKNZER-KCZVDYSFSA-N 0 1 591.532 5.984 1 0 KKAFMN COc1ccc(C[C@H]2c3ccc(NCc4ccncc4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474609847 562905695 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O=C(Nc1ccccc1I)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653823221 562914292 /nfs/dbraw/zinc/91/42/92/562914292.db2.gz IYIDOLHIJOEDIS-UHFFFAOYSA-N 0 1 619.648 6.083 1 0 KKAFMN Cc1cc(-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)n[nH]2)ccc1NC(=O)Nc1cccc(F)c1 ZINC000653840731 562914853 /nfs/dbraw/zinc/91/48/53/562914853.db2.gz XHSBGOCHLWEZIE-UHFFFAOYSA-N 0 1 541.631 5.168 1 0 KKAFMN C[C@@H]1CN(S(=O)(=O)c2cccc3c2cccc3N(C)C)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000653849928 562915441 /nfs/dbraw/zinc/91/54/41/562915441.db2.gz XLNNIDPLVLWFQZ-RRCLRXROSA-N 0 1 649.942 6.332 1 0 KKAFMN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C)N(C2)CC3 ZINC000085541007 565139170 /nfs/dbraw/zinc/13/91/70/565139170.db2.gz OSHKGRVWORFNPW-JHOBJCJYSA-N 0 1 652.788 7.519 1 0 biogenic,in-vitro KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000068249925 551090840 /nfs/dbraw/zinc/09/08/40/551090840.db2.gz QSZJSUYLKJZUKX-MTABRHERSA-N 0 1 652.671 7.568 1 0 KKAFMN O=C(Cc1cnc[nH]1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001483530 561675834 /nfs/dbraw/zinc/67/58/34/561675834.db2.gz SRUVIRMFXGIZDE-QFIPXVFZSA-N 0 1 536.476 5.401 1 0 KKAFMN FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000001534339 561676793 /nfs/dbraw/zinc/67/67/93/561676793.db2.gz NNQQINUYFDRYPI-SXOMAYOGSA-N 0 1 519.529 7.536 1 0 KKAFMN Oc1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br ZINC000001565005 561677695 /nfs/dbraw/zinc/67/76/95/561677695.db2.gz LXMNWKJHYOZUQL-UHFFFAOYSA-N 0 1 553.668 6.200 1 0 in-vitro KKAFMN O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(-c3cccs3)nc3ccc(I)cc32)cc1 ZINC000001663602 561679362 /nfs/dbraw/zinc/67/93/62/561679362.db2.gz ZHTREVGFEBGGPT-UHFFFAOYSA-N 0 1 591.481 5.964 1 0 KKAFMN FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000003780975 561682319 /nfs/dbraw/zinc/68/23/19/561682319.db2.gz NNQQINUYFDRYPI-SVBPBHIXSA-N 0 1 519.529 7.536 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1 ZINC000003819033 561683152 /nfs/dbraw/zinc/68/31/52/561683152.db2.gz VQNOKAIGVHODDW-UHFFFAOYSA-N 0 1 511.629 6.444 3 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 ZINC000003919976 561685525 /nfs/dbraw/zinc/68/55/25/561685525.db2.gz DWNSMKMERLQDIL-LJAQVGFWSA-N 0 1 560.720 5.526 1 0 KKAFMN O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCCOCc1ccccc1 ZINC000003939700 561688972 /nfs/dbraw/zinc/68/89/72/561688972.db2.gz HSKXGSAIEWWVOI-BHVANESWSA-N 0 1 675.786 5.188 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1 ZINC000004387270 561694748 /nfs/dbraw/zinc/69/47/48/561694748.db2.gz WJXHLUCVCZEBHY-UHFFFAOYSA-N 0 1 658.792 6.037 1 0 KKAFMN COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@@H+](CCCCCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455708 561713681 /nfs/dbraw/zinc/71/36/81/561713681.db2.gz LCGCRFOPZGGJNQ-QFIPXVFZSA-N 0 1 523.689 7.236 1 0 KKAFMN C[C@H](Nc1nccc(-c2cc(N3CCN(C)CC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000013439161 561712272 /nfs/dbraw/zinc/71/22/72/561712272.db2.gz MBAYOYOHXJVBHG-IBGZPJMESA-N 0 1 519.575 5.544 1 0 KKAFMN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2ccc(C(=O)[O-])cc2c(C2CCCCC2)c1-c1ccccc1 ZINC000013646622 561722741 /nfs/dbraw/zinc/72/27/41/561722741.db2.gz OOBFRGCZAQWSQO-JOCHJYFZSA-N 0 1 501.671 5.854 1 0 KKAFMN COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)c1 ZINC000013686223 561724740 /nfs/dbraw/zinc/72/47/40/561724740.db2.gz HEILLZBUQBOKMO-UHFFFAOYSA-N 0 1 533.112 7.124 1 0 KKAFMN Cc1cc(I)cc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000013744528 561726568 /nfs/dbraw/zinc/72/65/68/561726568.db2.gz LLUKLOGVWWPZKG-VSGBNLITSA-N 0 1 523.458 6.411 1 0 KKAFMN C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744237 561726596 /nfs/dbraw/zinc/72/65/96/561726596.db2.gz MSYTWGRTZFXVLE-HXOBKFHXSA-N 0 1 510.631 5.398 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC(C)(C)C=C(C)C ZINC000013780895 561729320 /nfs/dbraw/zinc/72/93/20/561729320.db2.gz DLYRZDMZAVNVKX-FMGHJNRGSA-N 0 1 514.707 5.695 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC(CC)CC ZINC000013780883 561729357 /nfs/dbraw/zinc/72/93/57/561729357.db2.gz AMHZRTOQHFYHET-FMGHJNRGSA-N 0 1 502.696 5.529 1 0 KKAFMN O=C(Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCN(C(=O)c1cccc3ccccc31)C2)OC1CCCCC1 ZINC000013803058 561730957 /nfs/dbraw/zinc/73/09/57/561730957.db2.gz RCCYZUXEMVAFFV-UHFFFAOYSA-N 0 1 523.637 6.107 1 0 KKAFMN O=C([O-])c1cccc(CCCC2(O)CCN(C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 ZINC000013819408 561732473 /nfs/dbraw/zinc/73/24/73/561732473.db2.gz PECQGQFPDDXSPX-IOWSJCHKSA-N 0 1 518.742 5.830 1 0 KKAFMN O=C([O-])c1cccc(CCCC2(O)CCN(C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 ZINC000013819408 561732476 /nfs/dbraw/zinc/73/24/76/561732476.db2.gz PECQGQFPDDXSPX-IOWSJCHKSA-N 0 1 518.742 5.830 1 0 KKAFMN CCCCc1[nH+]cc(/C=C(\Cc2cccs2)C(=O)[O-])n1Cc1ccc(I)cc1 ZINC000013831903 561733441 /nfs/dbraw/zinc/73/34/41/561733441.db2.gz KJVRLNBQTUKOTM-SFQUDFHCSA-N 0 1 506.409 5.651 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CC1 ZINC000014957958 561748101 /nfs/dbraw/zinc/74/81/01/561748101.db2.gz YYFLDZZDOUDZQM-UHFFFAOYSA-N 0 1 510.641 7.049 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc(Cc4ccc(O)cc4)c(=O)[nH]c3-c3ccccc3)cc2)CC1 ZINC000014957917 561748108 /nfs/dbraw/zinc/74/81/08/561748108.db2.gz WUKJMTIZYFCXHS-UHFFFAOYSA-N 0 1 583.692 5.880 1 0 KKAFMN O=C(Nc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000014961995 561748571 /nfs/dbraw/zinc/74/85/71/561748571.db2.gz BCYCHJAJECYNPU-UHFFFAOYSA-N 0 1 500.440 6.177 1 0 KKAFMN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CNC(C)C)c1Cl ZINC000014963031 561748825 /nfs/dbraw/zinc/74/88/25/561748825.db2.gz QOQVKFCBGUXLRM-UHFFFAOYSA-N 0 1 527.861 6.115 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 ZINC000025421636 561762786 /nfs/dbraw/zinc/76/27/86/561762786.db2.gz XWAXZZKYNRSMJU-LJAQVGFWSA-N 0 1 592.693 5.817 1 0 KKAFMN CC[N@H+](CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1)C[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000025966398 561763176 /nfs/dbraw/zinc/76/31/76/561763176.db2.gz IDCRXMOPFLSPGO-WZDMNQRASA-N 0 1 510.656 5.126 1 0 KKAFMN CC[N@@H+](CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1)C[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000025966398 561763178 /nfs/dbraw/zinc/76/31/78/561763178.db2.gz IDCRXMOPFLSPGO-WZDMNQRASA-N 0 1 510.656 5.126 1 0 KKAFMN Cc1ncc(CN2c3ccccc3CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]2CCc2ccccc2)[nH]1 ZINC000025981555 561764055 /nfs/dbraw/zinc/76/40/55/561764055.db2.gz QIBQNJKMUJGWIQ-AREMUKBSSA-N 0 1 504.631 5.070 1 0 KKAFMN O=S(=O)(c1cccc2ccccc21)N1Cc2ccccc2N(Cc2cnc[nH]2)[C@@H](CCc2ccccc2)C1 ZINC000025981053 561764076 /nfs/dbraw/zinc/76/40/76/561764076.db2.gz JRGUHOSLFBIWAQ-NDEPHWFRSA-N 0 1 522.674 5.775 1 0 KKAFMN CCCCc1[nH+]cc(C=C(Cc2cccs2)C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1 ZINC000026163944 561768945 /nfs/dbraw/zinc/76/89/45/561768945.db2.gz SCWWFIUVYGCBTH-HKWRFOASSA-N 0 1 643.567 7.402 1 0 KKAFMN COc1ccccc1OCCN1CCN(c2cnn(CCCCCCCN3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026260812 561775388 /nfs/dbraw/zinc/77/53/88/561775388.db2.gz LJWODJDNHCOTQT-UHFFFAOYSA-N 0 1 657.687 5.532 1 0 KKAFMN O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270032 561777016 /nfs/dbraw/zinc/77/70/16/561777016.db2.gz MSXWYJRSWIKQOX-KVBYWJEESA-N 0 1 676.924 5.102 1 0 KKAFMN CCCC(=O)Nc1ccc(-c2nc3n(c2CN(C)CCc2ccccc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026272144 561777472 /nfs/dbraw/zinc/77/74/72/561777472.db2.gz KWDOINMAPBZMFT-UHFFFAOYSA-N 0 1 665.810 7.109 1 0 KKAFMN CCCCN(C)Cc1c(-c2ccc(OC)cc2)nc2n1c(=O)c(-c1ccc3c(c1)OCO3)c(C)n2Cc1ccccc1F ZINC000026276358 561778330 /nfs/dbraw/zinc/77/83/30/561778330.db2.gz OIPJFXCVPBOEOT-UHFFFAOYSA-N 0 1 582.676 6.295 1 0 KKAFMN COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(-c2cccc([S-])c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026279860 561778895 /nfs/dbraw/zinc/77/88/95/561778895.db2.gz PRZCBMSOLMQEGT-UHFFFAOYSA-N 0 1 619.766 6.693 1 0 KKAFMN COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(-c2cccc([S-])c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026279860 561778896 /nfs/dbraw/zinc/77/88/96/561778896.db2.gz PRZCBMSOLMQEGT-UHFFFAOYSA-N 0 1 619.766 6.693 1 0 KKAFMN COc1cc(OC2CCN([C@H]3CCCc4c3ccc[n+]4[O-])CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026282639 561779299 /nfs/dbraw/zinc/77/92/99/561779299.db2.gz GRKWMUZMGMYCOJ-HKBQPEDESA-N 0 1 612.727 5.011 1 0 KKAFMN CC(C)CCN(c1ccc(NCc2ccc(O)cc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026488341 561792902 /nfs/dbraw/zinc/79/29/02/561792902.db2.gz LAIFAPPRGCLVRM-UMSFTDKQSA-N 0 1 605.868 6.848 1 0 KKAFMN CCN(CC)C(=O)OCC=Cc1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000026576750 561800594 /nfs/dbraw/zinc/80/05/94/561800594.db2.gz FXBOYQWRUYJRHL-MDZDMXLPSA-N 0 1 537.708 7.034 1 0 KKAFMN CCCN(CCC)c1ccc(-c2nc(-c3ccc(C=CC(=O)OC)cc3)[nH]c2-c2ccc(NC)cc2)cc1 ZINC000026578323 561803147 /nfs/dbraw/zinc/80/31/47/561803147.db2.gz JWSSHFJNPHUEFI-AWQFTUOYSA-N 0 1 508.666 7.265 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000026578540 561803544 /nfs/dbraw/zinc/80/35/44/561803544.db2.gz MRNGFCCVLNCTQA-RRCPXHSZSA-N 0 1 641.686 7.096 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000026579020 561804042 /nfs/dbraw/zinc/80/40/42/561804042.db2.gz NCQZTUCLQGWATO-HHSLBVOYSA-N 0 1 626.071 6.596 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 ZINC000026579665 561805130 /nfs/dbraw/zinc/80/51/30/561805130.db2.gz QCBJDXAWTKFZMK-IMISRGLISA-N 0 1 626.071 6.596 1 0 KKAFMN CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCCS3)CC2)CC1 ZINC000026647621 561807773 /nfs/dbraw/zinc/80/77/73/561807773.db2.gz YCVMIWXQJXIBKY-UHFFFAOYSA-N 0 1 604.860 5.884 1 0 KKAFMN CC(C)N1CCN(CCN2CCN([C@@H]3C[C@H](c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O ZINC000026669891 561812026 /nfs/dbraw/zinc/81/20/26/561812026.db2.gz XDVMQRQYTNBNKW-AOYPEHQESA-N 0 1 518.599 5.185 1 0 KKAFMN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)ccc1O ZINC000026825252 561821829 /nfs/dbraw/zinc/82/18/29/561821829.db2.gz GRXKGMFBAMEGTB-UHSQPCAPSA-N 0 1 518.635 5.163 1 0 KKAFMN CC(=C(F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH+][N-]c2ccccc2)c1 ZINC000026816198 561820285 /nfs/dbraw/zinc/82/02/85/561820285.db2.gz JKDGRXBQBRHVDT-ZXVVBBHZSA-N 0 1 543.624 5.282 1 0 KKAFMN CC(=C(F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=NNc2ccccc2)c1 ZINC000026816198 561820286 /nfs/dbraw/zinc/82/02/86/561820286.db2.gz JKDGRXBQBRHVDT-ZXVVBBHZSA-N 0 1 543.624 5.282 1 0 KKAFMN CCC(CC)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026982221 561831451 /nfs/dbraw/zinc/83/14/51/561831451.db2.gz KESDVVHGRDVTAS-LHEWISCISA-N 0 1 701.868 6.729 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CCCCc1ccccc1 ZINC000026985090 561831853 /nfs/dbraw/zinc/83/18/53/561831853.db2.gz WXNVPUAISBDYQC-XBZWSRNISA-N 0 1 605.845 5.908 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CCCCc1ccccc1 ZINC000026985090 561831854 /nfs/dbraw/zinc/83/18/54/561831854.db2.gz WXNVPUAISBDYQC-XBZWSRNISA-N 0 1 605.845 5.908 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1cccc2ccccc21 ZINC000026993904 561832893 /nfs/dbraw/zinc/83/28/93/561832893.db2.gz WQPYGRKAOXZYEH-JTZWTTIBSA-N 0 1 693.914 6.136 1 0 KKAFMN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1cccc2ccccc21 ZINC000026993904 561832895 /nfs/dbraw/zinc/83/28/95/561832895.db2.gz WQPYGRKAOXZYEH-JTZWTTIBSA-N 0 1 693.914 6.136 1 0 KKAFMN C[C@H](Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 ZINC000027080193 561834857 /nfs/dbraw/zinc/83/48/57/561834857.db2.gz LHWFFKQEXHJCEB-ZADIWHOSSA-N 0 1 659.787 5.602 1 0 KKAFMN CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027088376 561836790 /nfs/dbraw/zinc/83/67/90/561836790.db2.gz DUPJTNSPHJHTFW-QTKNLHBISA-N 0 1 573.753 6.505 1 0 KKAFMN CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027088376 561836792 /nfs/dbraw/zinc/83/67/92/561836792.db2.gz DUPJTNSPHJHTFW-QTKNLHBISA-N 0 1 573.753 6.505 1 0 KKAFMN C[C@H](C[C@@H](CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027179893 561841655 /nfs/dbraw/zinc/84/16/55/561841655.db2.gz ONTDQIVDLLQOGA-POURPWNDSA-N 0 1 519.751 6.263 1 0 KKAFMN CCN(CC)CC(=O)N(CC)c1nc2cc3nc(N(CC)C(=O)CN(CC)CC)sc3c(Br)c2s1 ZINC000027181021 561841717 /nfs/dbraw/zinc/84/17/17/561841717.db2.gz ODUCHZMWPIVHNT-UHFFFAOYSA-N 0 1 583.622 5.058 1 0 KKAFMN CC(C)CNc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027190677 561843383 /nfs/dbraw/zinc/84/33/83/561843383.db2.gz QWOYYZOKPPWCNN-UHFFFAOYSA-N 0 1 650.795 7.907 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@@H](c2ccccc2)c2cc(C)ccc2C)cc1 ZINC000027194690 561844049 /nfs/dbraw/zinc/84/40/49/561844049.db2.gz YJMPVDOQESXRRN-AQZQMVTRSA-N 0 1 592.692 5.788 1 0 KKAFMN CCCC[C@@H](NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027205020 561845814 /nfs/dbraw/zinc/84/58/14/561845814.db2.gz FZJJZYJWWWMPOB-OSCFFGAZSA-N 0 1 544.648 5.313 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CCC)cc1 ZINC000027316907 561851718 /nfs/dbraw/zinc/85/17/18/561851718.db2.gz KGXAMRYEVKTKDJ-RKJPZGCHSA-N 0 1 522.686 5.638 1 0 KKAFMN Cn1ccnc1S(=O)(=O)Cc1cccc([C@H](c2c(O)cc(C(CC3CC3)CC3CC3)oc2=O)C2CC2)c1 ZINC000027317634 561851893 /nfs/dbraw/zinc/85/18/93/561851893.db2.gz GHMJSCWBXPMWLF-AREMUKBSSA-N 0 1 522.667 5.279 1 0 KKAFMN CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)CCc2ccccn2)c(=O)c(C(=O)OCC)cn3Cc2ccccc2F)cc1 ZINC000027326544 561853826 /nfs/dbraw/zinc/85/38/26/561853826.db2.gz MFTBZXGBGMFYDU-UHFFFAOYSA-N 0 1 623.729 5.940 1 0 KKAFMN CC(C)N1CCN([C@@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccc3c2OCO3)CC1 ZINC000027437578 561860337 /nfs/dbraw/zinc/86/03/37/561860337.db2.gz YOMKURGHXWLZFQ-QFIPXVFZSA-N 0 1 559.551 5.221 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12 ZINC000027437092 561860366 /nfs/dbraw/zinc/86/03/66/561860366.db2.gz ZGWTZTNRPVIWNM-MGBGTMOVSA-N 0 1 575.503 7.507 1 0 KKAFMN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027517862 561861602 /nfs/dbraw/zinc/86/16/02/561861602.db2.gz DSHYGKAKVRNSRB-AOYPEHQESA-N 0 1 576.694 5.344 1 0 KKAFMN S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc2[nH]nnc2c1 ZINC000027524845 561865933 /nfs/dbraw/zinc/86/59/33/561865933.db2.gz XMWODWJSEXZFLR-UHFFFAOYSA-N 0 1 551.301 5.415 1 0 KKAFMN S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc2nn[nH]c2c1 ZINC000027524845 561865934 /nfs/dbraw/zinc/86/59/34/561865934.db2.gz XMWODWJSEXZFLR-UHFFFAOYSA-N 0 1 551.301 5.415 1 0 KKAFMN CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c([N+]#N)cc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550910 561867903 /nfs/dbraw/zinc/86/79/03/561867903.db2.gz HCDUZJOJWRIWON-DQBJLQAUSA-O 0 1 617.804 6.327 1 0 KKAFMN C[C@H](CCN1CCC(C)CC1)[C@@H](C)S(=O)(=O)c1cc(Br)c(Br)cc1-c1cccs1 ZINC000027646480 561875891 /nfs/dbraw/zinc/87/58/91/561875891.db2.gz YGWIZVNCKBJGHU-IAGOWNOFSA-N 0 1 563.421 6.860 1 0 KKAFMN CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028006399 561895617 /nfs/dbraw/zinc/89/56/17/561895617.db2.gz BRCFAGPWPWYSAX-QOCRQHEPSA-N 0 1 638.850 5.431 1 0 KKAFMN CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028006399 561895618 /nfs/dbraw/zinc/89/56/18/561895618.db2.gz BRCFAGPWPWYSAX-QOCRQHEPSA-N 0 1 638.850 5.431 1 0 KKAFMN O=C([O-])Cn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007690 561895776 /nfs/dbraw/zinc/89/57/76/561895776.db2.gz FNYOWVRRUVNPJZ-POTGHWNKSA-N 0 1 598.788 5.487 1 0 KKAFMN CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028008039 561895992 /nfs/dbraw/zinc/89/59/92/561895992.db2.gz ODVDBGHVIJLFQG-NNYJQHGCSA-N 0 1 564.721 5.776 1 0 KKAFMN CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028008039 561895994 /nfs/dbraw/zinc/89/59/94/561895994.db2.gz ODVDBGHVIJLFQG-NNYJQHGCSA-N 0 1 564.721 5.776 1 0 KKAFMN CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017818 561897752 /nfs/dbraw/zinc/89/77/52/561897752.db2.gz MXJBFVIZLFDIAO-NNYJQHGCSA-N 0 1 581.176 6.291 1 0 KKAFMN CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017818 561897753 /nfs/dbraw/zinc/89/77/53/561897753.db2.gz MXJBFVIZLFDIAO-NNYJQHGCSA-N 0 1 581.176 6.291 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014306 561897004 /nfs/dbraw/zinc/89/70/04/561897004.db2.gz CAGZIBHOJDZLGX-WOFKWEEXSA-N 0 1 636.856 7.694 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014306 561897005 /nfs/dbraw/zinc/89/70/05/561897005.db2.gz CAGZIBHOJDZLGX-WOFKWEEXSA-N 0 1 636.856 7.694 1 0 KKAFMN CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014301 561897013 /nfs/dbraw/zinc/89/70/13/561897013.db2.gz IZOGIEBLWOHFCN-QYGIXFTLSA-N 0 1 636.856 7.694 1 0 KKAFMN CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014301 561897014 /nfs/dbraw/zinc/89/70/14/561897014.db2.gz IZOGIEBLWOHFCN-QYGIXFTLSA-N 0 1 636.856 7.694 1 0 KKAFMN CCn1nc(Cc2ccc3c(c2)OCO3)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028019479 561898176 /nfs/dbraw/zinc/89/81/76/561898176.db2.gz FEKNIQDVBGNYIH-NEUJRDPRSA-N 0 1 604.767 5.756 1 0 KKAFMN CCn1nc(Cc2ccc3c(c2)OCO3)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028019479 561898178 /nfs/dbraw/zinc/89/81/78/561898178.db2.gz FEKNIQDVBGNYIH-NEUJRDPRSA-N 0 1 604.767 5.756 1 0 KKAFMN CCCCn1c2ccccc2n(C2CCN(C[C@@H](O)Cn3nc(-c4ccc(Cl)c(C)c4)c4c3CCN(C(C)=O)C4)CC2)c1=O ZINC000028127745 561905220 /nfs/dbraw/zinc/90/52/20/561905220.db2.gz ATZFNPDRRIDACJ-HHHXNRCGSA-N 0 1 619.210 5.031 1 0 KKAFMN Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)c2nn[nH]n2)cc1 ZINC000028130735 561905622 /nfs/dbraw/zinc/90/56/22/561905622.db2.gz XXHKZJJTXXVUAO-NDEPHWFRSA-N 0 1 588.734 5.563 1 0 KKAFMN COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028239287 561910233 /nfs/dbraw/zinc/91/02/33/561910233.db2.gz JIAFQKZOSKMEQV-UHFFFAOYSA-N 0 1 609.698 6.848 1 0 KKAFMN O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000028389482 561921925 /nfs/dbraw/zinc/92/19/25/561921925.db2.gz LAKDRQOGCMXZBD-UHFFFAOYSA-N 0 1 549.675 5.671 1 0 KKAFMN C[C@@H]1CCN(C(=O)C2CCCCC2)c2c(CCN3CCN(c4nsc5ccccc54)CC3)cccc21 ZINC000028528902 561933453 /nfs/dbraw/zinc/93/34/53/561933453.db2.gz NUULIEKFIPBBLV-JOCHJYFZSA-N 0 1 502.728 6.082 1 0 KKAFMN O=C([O-])[C@@H]1CCCC[N@H+]1CCC=C(c1sccc1COc1cccc2ccccc21)c1sccc1COc1cccc2ccccc21 ZINC000028565909 561936273 /nfs/dbraw/zinc/93/62/73/561936273.db2.gz VZXUYQIMQRZAFU-DHUJRADRSA-N 0 1 659.873 10.035 1 0 KKAFMN C[C@@H]1CN([C@H](c2ccc(-c3ccccc3C(=O)[O-])cc2)c2cccc(O)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000028570203 561938612 /nfs/dbraw/zinc/93/86/12/561938612.db2.gz DSURCNIRDBYQFH-MKVNITDJSA-N 0 1 506.646 6.442 1 0 KKAFMN C[C@@H]1C[N@H+]([C@H](c2ccc(-c3ccccc3C(=O)[O-])cc2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570203 561938614 /nfs/dbraw/zinc/93/86/14/561938614.db2.gz DSURCNIRDBYQFH-MKVNITDJSA-N 0 1 506.646 6.442 1 0 KKAFMN C[C@@H]1C[N@@H+]([C@H](c2ccc(-c3ccccc3C(=O)[O-])cc2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570203 561938616 /nfs/dbraw/zinc/93/86/16/561938616.db2.gz DSURCNIRDBYQFH-MKVNITDJSA-N 0 1 506.646 6.442 1 0 KKAFMN Cc1ccccc1N1CCN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 ZINC000028702695 561947193 /nfs/dbraw/zinc/94/71/93/561947193.db2.gz KOWXOUSZBZVURT-OAQYLSRUSA-N 0 1 585.618 5.684 1 0 KKAFMN O=C1Cc2c(-c3ccccc3)cc(-c3ccc(OCCCCN4CCOCC4)c(Cl)c3)nc2-c2ccccc2N1 ZINC000028704149 561948346 /nfs/dbraw/zinc/94/83/46/561948346.db2.gz SMYQIQOIDKMPJV-UHFFFAOYSA-N 0 1 554.090 6.722 1 0 KKAFMN O=C(Nc1ccc(Oc2ccc3nc(NC(=O)c4ccccc4-c4ccc[nH]4)[nH]c3c2)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000028712079 561952714 /nfs/dbraw/zinc/95/27/14/561952714.db2.gz SPDICIKFASBCHA-UHFFFAOYSA-N 0 1 614.559 8.405 1 0 KKAFMN CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(C)C)c(I)c1 ZINC000028712354 561952985 /nfs/dbraw/zinc/95/29/85/561952985.db2.gz WNOMYBDPGOMADI-UHFFFAOYSA-N 0 1 617.265 6.156 1 0 KKAFMN CCCN1CCN(C(=O)CC[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000028713449 561953967 /nfs/dbraw/zinc/95/39/67/561953967.db2.gz SRMPJKDHFPXOIQ-JDJNTPLHSA-N 0 1 731.816 5.511 1 0 KKAFMN COc1ccccc1C(=O)OCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c(O)cc(C)oc1=O ZINC000028820915 561966050 /nfs/dbraw/zinc/96/60/50/561966050.db2.gz JIAJGRUVTSNTEM-MHZLTWQESA-N 0 1 588.454 6.486 1 0 KKAFMN CC(C)N1CCN(C(=O)OC2([C@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879673 561976434 /nfs/dbraw/zinc/97/64/34/561976434.db2.gz QRUVSTZLYGAOFS-IZZNHLLZSA-N 0 1 582.113 5.598 1 0 KKAFMN CN(C)c1cc2cc(n1)CCCn1cc(c3ccccc31)C1=C(c3cn(c4ccccc34)CCC2)C(=O)NC1=O ZINC000028881945 561977125 /nfs/dbraw/zinc/97/71/25/561977125.db2.gz HCTDQRULARFYTB-UHFFFAOYSA-N 0 1 529.644 5.203 1 0 KKAFMN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028897181 561979239 /nfs/dbraw/zinc/97/92/39/561979239.db2.gz HWQGGIXQSUAZLL-UHFFFAOYSA-N 0 1 645.803 6.492 1 0 KKAFMN COCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(C)C[C@@H](C)c3ccco3)sc21 ZINC000028901688 561980067 /nfs/dbraw/zinc/98/00/67/561980067.db2.gz MNRSOCSLHRGHDZ-GOSISDBHSA-N 0 1 528.074 5.121 1 0 KKAFMN C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)[nH]1 ZINC000028953882 561982611 /nfs/dbraw/zinc/98/26/11/561982611.db2.gz JUZWMCRZHNBIHC-QGZVFWFLSA-N 0 1 531.504 6.891 1 0 KKAFMN CCc1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(SCC(=O)c2ccc(OC)cc2)[nH]c1=O ZINC000029057996 561995348 /nfs/dbraw/zinc/99/53/48/561995348.db2.gz IXLVMDIGEQFFNL-UHFFFAOYSA-N 0 1 530.490 5.944 1 0 KKAFMN Nc1nnc(-c2cnc(-c3ccc(CN4CCC(n5c6cccnc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125658 561997799 /nfs/dbraw/zinc/99/77/99/561997799.db2.gz FLLYSDWXMXBDLY-UHFFFAOYSA-N 0 1 560.687 5.391 1 0 KKAFMN C[C@H]1C[N@@H+](C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000029126271 561998499 /nfs/dbraw/zinc/99/84/99/561998499.db2.gz BNTCUBVESQBBRF-FGWBKXFVSA-N 0 1 564.726 5.816 1 0 KKAFMN C[C@H]1C[N@@H+](CCC(=O)N(Cc2ccc(-c3ccccc3)cc2)[C@@H](Cc2ccccc2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000029126388 561998727 /nfs/dbraw/zinc/99/87/27/561998727.db2.gz QIDWLHXLGKPNAX-WLKPAHIHSA-N 0 1 590.764 6.774 1 0 KKAFMN CCc1nc2cc3c(c(C)c2o1)CCN([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126988 561999186 /nfs/dbraw/zinc/99/91/86/561999186.db2.gz VNUWHBRXYDCOFA-FQEVSTJZSA-N 0 1 540.737 6.322 1 0 KKAFMN COc1ccc([C@H](c2cccs2)c2ccc(OC[C@H](O)CN3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000029130401 562002588 /nfs/dbraw/zinc/00/25/88/562002588.db2.gz VGQVERFTHHEIEQ-NSJVFKKDSA-N 0 1 528.718 5.494 1 0 KKAFMN Cc1cc(C)cc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)c2nn[nH]n2)Oc2cc(C)cc(C)c2)c1 ZINC000029327741 562013553 /nfs/dbraw/zinc/01/35/53/562013553.db2.gz KTCAXACWAIHZRI-HKBQPEDESA-N 0 1 567.630 7.282 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 ZINC000029330398 562013754 /nfs/dbraw/zinc/01/37/54/562013754.db2.gz DSXYRINTWYCUIR-PMERELPUSA-N 0 1 560.720 5.526 1 0 KKAFMN CCCCC1(CCCC)CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1 ZINC000029404637 562020442 /nfs/dbraw/zinc/02/04/42/562020442.db2.gz REWMMSRDWPLSDM-ZULJPCJZSA-N 0 1 529.806 6.204 1 0 KKAFMN CCOC(=O)C1=C(COCCN2CCN(Cc3ccc(Cl)cc3)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029463663 562023529 /nfs/dbraw/zinc/02/35/29/562023529.db2.gz LKVXLSYXZNNVFV-PTBNBFCCSA-N 0 1 602.559 5.619 1 0 KKAFMN COc1ccccc1C1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)CC1 ZINC000029545647 562029754 /nfs/dbraw/zinc/02/97/54/562029754.db2.gz XITFJVUYVFILBW-MHZLTWQESA-N 0 1 527.492 6.083 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 ZINC000029566453 562034520 /nfs/dbraw/zinc/03/45/20/562034520.db2.gz DKIKWFPJWNCAOP-YTTGMZPUSA-N 0 1 607.761 6.087 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)C(C)(C)O2 ZINC000029568690 562035065 /nfs/dbraw/zinc/03/50/65/562035065.db2.gz VCBUSSFRFSIRMS-WMGNFNAESA-N 0 1 612.792 7.313 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)C(C)(C)O2 ZINC000029568690 562035067 /nfs/dbraw/zinc/03/50/67/562035067.db2.gz VCBUSSFRFSIRMS-WMGNFNAESA-N 0 1 612.792 7.313 1 0 KKAFMN CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(CN(C)C)c2c1=O ZINC000035836995 562045539 /nfs/dbraw/zinc/04/55/39/562045539.db2.gz QWXQHEJVLSGXPM-UHFFFAOYSA-N 0 1 506.624 5.034 1 0 KKAFMN O=C([O-])C[C@H](Cc1cc(OCCc2ccc3c([nH+]2)NCCC3)no1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000036269231 562052900 /nfs/dbraw/zinc/05/29/00/562052900.db2.gz WPRZWONATNXRPZ-SFHVURJKSA-N 0 1 525.030 5.627 1 0 KKAFMN CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc2c(ncn2Cc2c(Cl)cccc2Cl)c(Br)c1 ZINC000036330275 562055537 /nfs/dbraw/zinc/05/55/37/562055537.db2.gz FHVXFCIEMXSRJD-UHFFFAOYSA-N 0 1 590.377 6.054 1 0 KKAFMN CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(CN(CC)Cc3ccccc3)c2c1=O ZINC000036331648 562056737 /nfs/dbraw/zinc/05/67/37/562056737.db2.gz CFLDETIROACOKJ-UHFFFAOYSA-N 0 1 596.749 6.994 1 0 KKAFMN C=Cc1cnc(N2CCN(c3nc4cc(C(F)(F)F)cc(-c5cc(F)c(F)c(F)c5)c4[nH]3)[C@H](C)C2)c(Cl)c1 ZINC000038157607 562069259 /nfs/dbraw/zinc/06/92/59/562069259.db2.gz VEHTYICSCHKEAY-CYBMUJFWSA-N 0 1 551.922 7.073 1 0 KKAFMN O=C(NCCCc1cnc[nH]1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372493 562071388 /nfs/dbraw/zinc/07/13/88/562071388.db2.gz DKBCPWSPMZLASX-MFMCTBQISA-N 0 1 669.068 5.186 1 0 KKAFMN C[C@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCCN2CCN(C)CC2)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377629 562071519 /nfs/dbraw/zinc/07/15/19/562071519.db2.gz NUKCQDDVORQLDB-OLILMLBXSA-N 0 1 706.456 6.109 1 0 KKAFMN COC(=O)C1CCN(CCOc2ccc([C@@]3(C)c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)CC1 ZINC000040408192 562075039 /nfs/dbraw/zinc/07/50/39/562075039.db2.gz IZWWWUWUHNOEGL-HKBQPEDESA-N 0 1 518.629 5.121 1 0 KKAFMN COc1ccc([C@@H]2CN(C)[C@]3(c4cccc5cccc(c45)C3=O)[C@]23CCc2c4ccccc4[nH]c2C3=O)cc1 ZINC000040420264 562075577 /nfs/dbraw/zinc/07/55/77/562075577.db2.gz AFRODRJMTDVWIX-BIWWMPFASA-N 0 1 512.609 6.266 1 0 KKAFMN CCN(CC)Cc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040860186 562080710 /nfs/dbraw/zinc/08/07/10/562080710.db2.gz DSJMWSZZVBLHLI-UHFFFAOYSA-N 0 1 519.493 7.315 1 0 KKAFMN COc1cc(CCC(=O)C=C(O)CCC[C@H](CCc2cccc(O)c2)Cc2ccc(O)cc2)ccc1O ZINC000085627128 560068989 /nfs/dbraw/zinc/06/89/89/560068989.db2.gz DISFPKUBDPYBGZ-JOCHJYFZSA-N 0 1 504.623 5.935 1 0 biogenic,in-vitro KKAFMN O=C([O-])CC[N@@H+]1CCc2c(c3c(cccc3F)n2Cc2cccc(/C=C/c3ccc4cc(F)c(F)cc4n3)c2)C1 ZINC000043059258 562645134 /nfs/dbraw/zinc/64/51/34/562645134.db2.gz XHBCJHHCLXBLOP-VQHVLOKHSA-N 0 1 541.573 6.658 1 0 KKAFMN O=C([O-])CC[N@H+]1CCc2c(c3c(cccc3F)n2Cc2cccc(/C=C/c3ccc4cc(F)c(F)cc4n3)c2)C1 ZINC000043059258 562645135 /nfs/dbraw/zinc/64/51/35/562645135.db2.gz XHBCJHHCLXBLOP-VQHVLOKHSA-N 0 1 541.573 6.658 1 0 KKAFMN C[C@H](c1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000043080625 562645839 /nfs/dbraw/zinc/64/58/39/562645839.db2.gz QGAXFYZQEFFPKG-LEWJYISDSA-N 0 1 550.497 5.548 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000043100216 562645910 /nfs/dbraw/zinc/64/59/10/562645910.db2.gz VDGCNOYTIPMBBA-LOAGWBBBSA-N 0 1 614.808 6.883 1 0 KKAFMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1 ZINC000043524375 562649051 /nfs/dbraw/zinc/64/90/51/562649051.db2.gz MPWFFQJJNUOJHK-NRFANRHFSA-N 0 1 566.676 5.355 1 0 KKAFMN CC[C@H](C)[C@H](NCc1ccccc1F)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000043532540 562649416 /nfs/dbraw/zinc/64/94/16/562649416.db2.gz NWEHAMQGCHTUHB-BGOLNKOXSA-N 0 1 624.550 8.310 1 0 KKAFMN C[C@H]1CN(CC2CC2)CCN1C(=O)OC[C@@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043589888 562650068 /nfs/dbraw/zinc/65/00/68/562650068.db2.gz CKYOUSJBAOMLEO-YDOVEJIGSA-N 0 1 582.113 5.455 1 0 KKAFMN Cc1ccc2[nH]c(N(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3)c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)nc2c1 ZINC000044280628 562652913 /nfs/dbraw/zinc/65/29/13/562652913.db2.gz AJDHVQNHDFFNGF-UHFFFAOYSA-N 0 1 585.455 7.074 1 0 KKAFMN COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C ZINC000044307970 562654164 /nfs/dbraw/zinc/65/41/64/562654164.db2.gz AGKIJDSUCAPQKZ-UHFFFAOYSA-N 0 1 628.235 5.877 1 0 KKAFMN c1cc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)oc1CN1CCSCC1 ZINC000045189903 562658439 /nfs/dbraw/zinc/65/84/39/562658439.db2.gz AMJSXHKFLDTIPT-UHFFFAOYSA-N 0 1 508.647 6.761 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000045194379 562658795 /nfs/dbraw/zinc/65/87/95/562658795.db2.gz NUCSYJBDJZSVQV-CSKARUKUSA-N 0 1 507.437 5.282 1 0 KKAFMN Cc1nc(C)c(CC(=O)Nc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)s1 ZINC000045201194 562658961 /nfs/dbraw/zinc/65/89/61/562658961.db2.gz ZULZTYRJZHKEGQ-UHFFFAOYSA-N 0 1 506.553 7.170 1 0 KKAFMN COc1ccc(NC(=O)c2ccc(-c3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1N1CCN(C)CC1 ZINC000045201270 562659021 /nfs/dbraw/zinc/65/90/21/562659021.db2.gz NSMVFEPWKGFMNQ-UHFFFAOYSA-N 0 1 519.070 6.143 1 0 KKAFMN COc1ccccc1NC(=O)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 ZINC000045228879 562659497 /nfs/dbraw/zinc/65/94/97/562659497.db2.gz YBLUGAANJMDVIC-UHFFFAOYSA-N 0 1 502.496 7.568 1 0 KKAFMN CC(C)Oc1cccc(-c2ccc(C(=O)NC[C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3)s2)c1 ZINC000045302197 562660593 /nfs/dbraw/zinc/66/05/93/562660593.db2.gz FTQVYVFAAPRQJU-NRFANRHFSA-N 0 1 516.629 6.863 1 0 KKAFMN [O-]c1cc(-c2nc(C3(C[NH2+]Cc4ccc(Cl)cc4)CCCCC3)[nH]c2-c2ccncc2)ccc1Cl ZINC000045334976 562661357 /nfs/dbraw/zinc/66/13/57/562661357.db2.gz UMKVYGIGRBCDBA-UHFFFAOYSA-N 0 1 507.465 7.143 1 0 KKAFMN [O-]c1cc(-c2[nH]c(C3(C[NH2+]Cc4ccc(Cl)cc4)CCCCC3)nc2-c2ccncc2)ccc1Cl ZINC000045334976 562661358 /nfs/dbraw/zinc/66/13/58/562661358.db2.gz UMKVYGIGRBCDBA-UHFFFAOYSA-N 0 1 507.465 7.143 1 0 KKAFMN Cc1cc[nH+]c(NCc2cccc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)c2)c1 ZINC000045364735 562662040 /nfs/dbraw/zinc/66/20/40/562662040.db2.gz ZRRDVEJNFGIFLZ-NDEPHWFRSA-N 0 1 507.634 6.020 1 0 KKAFMN CC[C@@H](C)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(N4CC[NH+](CC5CC5)CC4)c3)cc2)cc1 ZINC000048307295 562662854 /nfs/dbraw/zinc/66/28/54/562662854.db2.gz TUUZZFRUFZPDTB-HSZRJFAPSA-N 0 1 576.763 5.794 1 0 KKAFMN O[C@@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049049837 562663768 /nfs/dbraw/zinc/66/37/68/562663768.db2.gz IHOVJSHWHKBKCL-FYBSXPHGSA-N 0 1 521.488 6.436 1 0 KKAFMN O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049049833 562663783 /nfs/dbraw/zinc/66/37/83/562663783.db2.gz IHOVJSHWHKBKCL-RNAHPLFWSA-N 0 1 521.488 6.436 1 0 KKAFMN O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049054484 562663847 /nfs/dbraw/zinc/66/38/47/562663847.db2.gz VKEKQOWZBFVSMP-BHBYDHKZSA-N 0 1 520.595 6.148 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)cc(-c2ccccc2)n1Cc1ccccc1 ZINC000049112278 562664604 /nfs/dbraw/zinc/66/46/04/562664604.db2.gz CTOTVDSIFQCUNY-UHFFFAOYSA-N 0 1 520.721 6.071 1 0 KKAFMN COc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000049604913 562665087 /nfs/dbraw/zinc/66/50/87/562665087.db2.gz OKAKKDGSGZNIPP-UHFFFAOYSA-N 0 1 571.936 6.746 1 0 KKAFMN COc1cc(Br)ccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049605006 562665250 /nfs/dbraw/zinc/66/52/50/562665250.db2.gz NZGKXPJQDVOKFQ-UHFFFAOYSA-N 0 1 599.957 5.696 1 0 KKAFMN FC(F)(F)c1ccc2nc(-c3cccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)c3)[nH]c2c1 ZINC000049605062 562665297 /nfs/dbraw/zinc/66/52/97/562665297.db2.gz GVVRNTFBEWLVJR-UHFFFAOYSA-N 0 1 524.550 6.786 1 0 KKAFMN COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049605424 562665849 /nfs/dbraw/zinc/66/58/49/562665849.db2.gz AHMKPVNMZVSNHZ-IZZDOVSWSA-N 0 1 609.472 7.035 1 0 KKAFMN CC(C)(C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccnc(N)n2)[nH]1 ZINC000049627022 562667445 /nfs/dbraw/zinc/66/74/45/562667445.db2.gz LKHVUZKMVGQEFB-UHFFFAOYSA-N 0 1 609.052 7.353 1 0 KKAFMN CC(C)(C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049627022 562667446 /nfs/dbraw/zinc/66/74/46/562667446.db2.gz LKHVUZKMVGQEFB-UHFFFAOYSA-N 0 1 609.052 7.353 1 0 KKAFMN COc1ccc([C@@H](CCCCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679204 562668782 /nfs/dbraw/zinc/66/87/82/562668782.db2.gz KOLWWPAODLKMSJ-PDDLMNHVSA-N 0 1 656.824 6.619 1 0 KKAFMN O=C(NCc1ccc(Cl)c(Cl)c1)c1cnc(N2CCC(N3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049694556 562669508 /nfs/dbraw/zinc/66/95/08/562669508.db2.gz FEYQUORVTPSCPR-UHFFFAOYSA-N 0 1 607.413 6.412 1 0 KKAFMN CC(C)(CNC(=O)C1CC[NH+](CCOCc2ccccc2)CC1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049711243 562671999 /nfs/dbraw/zinc/67/19/99/562671999.db2.gz DIPJMJUXVATSDB-UHFFFAOYSA-N 0 1 588.152 5.820 1 0 KKAFMN Cc1ccc(-c2ccc3c(c2)C=C(C(=O)NC2CCN(CCNC(=O)c4cccc(C(F)(F)F)c4)CC2)CCC3)cc1 ZINC000049722554 562672163 /nfs/dbraw/zinc/67/21/63/562672163.db2.gz DKDGLVZHWCBLTC-UHFFFAOYSA-N 0 1 575.675 6.411 1 0 KKAFMN O=C(Nc1ccc(C(=O)OCC(c2ccccc2)c2ccccc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000049723306 562673213 /nfs/dbraw/zinc/67/32/13/562673213.db2.gz ZODMUAAVGKXMFB-HMIRPBQQSA-N 0 1 698.820 6.210 1 0 KKAFMN CN(c1ccc2c(c1)nc(NCc1ccc(F)cc1)n2C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000049746033 562674192 /nfs/dbraw/zinc/67/41/92/562674192.db2.gz GPTCYKQEGNCZMK-UHFFFAOYSA-N 0 1 545.644 5.171 1 0 KKAFMN CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCCCC2)nn1 ZINC000049756608 562675115 /nfs/dbraw/zinc/67/51/15/562675115.db2.gz ICQNEYDWZJCYMM-CMVGPNDKSA-N 0 1 611.684 7.347 1 0 KKAFMN O=C(CSc1nc(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n[nH]1)c1ccc(Br)cc1 ZINC000049771285 562678100 /nfs/dbraw/zinc/67/81/00/562678100.db2.gz QFZRGIJDDSYVQU-UHFFFAOYSA-N 0 1 593.322 5.805 1 0 KKAFMN CC1(C)C[C@@H](NC(=O)c2[nH]nc3c2CCC3)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049784368 562683542 /nfs/dbraw/zinc/68/35/42/562683542.db2.gz BOFHHPZKLSDUAX-XMMPIXPASA-N 0 1 567.904 7.620 1 0 KKAFMN O=C(CSc1nc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)n[nH]1)c1ccc(Br)cc1 ZINC000049793769 562685166 /nfs/dbraw/zinc/68/51/66/562685166.db2.gz RYZFPMXNLOLDFT-UHFFFAOYSA-N 0 1 548.871 5.695 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)N(C(=O)C[C@H](O)C(=O)[O-])C3=O)cc1)C(C)(C)O2 ZINC000049802380 562685670 /nfs/dbraw/zinc/68/56/70/562685670.db2.gz YDSUCOXLALPVPE-RAGCJWRMSA-N 0 1 728.864 6.387 1 0 KKAFMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049823095 562686992 /nfs/dbraw/zinc/68/69/92/562686992.db2.gz DEIIDLOMHTXHPW-RNPORBBMSA-N 0 1 728.355 7.977 1 0 KKAFMN CCOC(=O)[C@@H](C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000049872473 562690056 /nfs/dbraw/zinc/69/00/56/562690056.db2.gz BSAKCTVYTGENGJ-NWFTYUCRSA-N 0 1 554.613 5.043 1 0 KKAFMN CC(=O)N(C)c1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)c1 ZINC000049917525 562693506 /nfs/dbraw/zinc/69/35/06/562693506.db2.gz GIVVEZNNGRCQTH-UHFFFAOYSA-N 0 1 528.534 7.151 1 0 KKAFMN COc1ccc(C(F)(F)F)cc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049917743 562693828 /nfs/dbraw/zinc/69/38/28/562693828.db2.gz DUOZENLOBZABDB-UHFFFAOYSA-N 0 1 589.058 5.952 1 0 KKAFMN CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000049917745 562693867 /nfs/dbraw/zinc/69/38/67/562693867.db2.gz SKZZXDBQDRCXJM-UHFFFAOYSA-N 0 1 541.620 6.671 1 0 KKAFMN O=C(Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)Nc1ccc(F)c(F)c1F ZINC000049917890 562694078 /nfs/dbraw/zinc/69/40/78/562694078.db2.gz COKRJFHRSCXZQY-UHFFFAOYSA-N 0 1 526.440 7.977 1 0 KKAFMN O=C(Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000049917948 562694166 /nfs/dbraw/zinc/69/41/66/562694166.db2.gz FIPHVEFMHWZAKB-UHFFFAOYSA-N 0 1 541.360 8.867 1 0 KKAFMN Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000049938411 562695294 /nfs/dbraw/zinc/69/52/94/562695294.db2.gz MJVSDWUKXXUPBE-FSEITFBQSA-N 0 1 705.856 5.053 1 0 in-vivo KKAFMN CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(O[C@H]3CC[N@@H+](C)C3)c(Cl)c2)C1 ZINC000052996247 562696089 /nfs/dbraw/zinc/69/60/89/562696089.db2.gz OGXOEHAMALUPAX-GNKBHMEESA-N 0 1 583.198 5.173 1 0 KKAFMN COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 ZINC000055768067 562697780 /nfs/dbraw/zinc/69/77/80/562697780.db2.gz YUIZGPPZFYCRQD-UHFFFAOYSA-N 0 1 546.695 5.636 1 0 KKAFMN O=C([O-])c1ccc(Oc2ccc(C[NH+]3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1 ZINC000059634822 562702102 /nfs/dbraw/zinc/70/21/02/562702102.db2.gz OPKQGGZAZZCIJB-LJAQVGFWSA-N 0 1 556.663 5.194 1 0 KKAFMN CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4ccc(OC)cc4[nH]3)cc2[C@@H]1c1ccc(Cl)cc1 ZINC000064446762 562705320 /nfs/dbraw/zinc/70/53/20/562705320.db2.gz WNOORWCZHRCVMF-QFIPXVFZSA-N 0 1 507.999 5.634 1 0 KKAFMN O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccc1)C[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000064448543 562705558 /nfs/dbraw/zinc/70/55/58/562705558.db2.gz AVPLNVLKHWYKNZ-YTTGMZPUSA-N 0 1 604.216 5.342 1 0 KKAFMN O=C([O-])N1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5cnc6ccccc6c5)cc34)cc2C(F)(F)F)CC1 ZINC000064549473 562708046 /nfs/dbraw/zinc/70/80/46/562708046.db2.gz UZUVRFUOLOBORV-UHFFFAOYSA-N 0 1 543.549 7.012 1 0 KKAFMN C[N@@H+](CCN1CCOCC1)[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099869 562711125 /nfs/dbraw/zinc/71/11/25/562711125.db2.gz XIDPKKCVWSCHRR-DEOSSOPVSA-N 0 1 517.670 5.079 1 0 KKAFMN C[C@@H](CN[C@H](C(=O)Nc1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)N1CCOCC1 ZINC000066100826 562711283 /nfs/dbraw/zinc/71/12/83/562711283.db2.gz JSZDJCIBUSBZII-VCPVOTNNSA-N 0 1 629.805 6.455 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000066139110 562713445 /nfs/dbraw/zinc/71/34/45/562713445.db2.gz WYNCONGFJQZCFS-KCYKTTMJSA-N 0 1 590.470 5.627 3 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000068198107 562715908 /nfs/dbraw/zinc/71/59/08/562715908.db2.gz PHOQBEAWVINSIU-UHFFFAOYSA-N 0 1 592.626 5.175 1 0 KKAFMN O=C(CN1c2ccccc2-n2c(-c3ccccc3)nnc2[C@H](Cc2n[nH]c3ccccc32)C1=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000068207459 562716045 /nfs/dbraw/zinc/71/60/45/562716045.db2.gz HKGBTCUFUULILA-JDXGNMNLSA-N 0 1 621.745 6.107 1 0 KKAFMN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC[N@@H+](C)C3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071333316 562719437 /nfs/dbraw/zinc/71/94/37/562719437.db2.gz GWOLZGVCSHOLQV-PCHOQTRTSA-N 0 1 619.766 6.219 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072104631 562720571 /nfs/dbraw/zinc/72/05/71/562720571.db2.gz GSOKOLQABSVSMM-UHFFFAOYSA-N 0 1 507.682 5.407 1 0 KKAFMN O=C1C(c2cccs2)=C(c2cccs2)C(=O)N1CCCN1CCN(CCCN2C(=O)C(c3cccs3)=C(c3cccs3)C2=O)CC1 ZINC000072113125 562722243 /nfs/dbraw/zinc/72/22/43/562722243.db2.gz XGEGCTYXCIFNEL-UHFFFAOYSA-N 0 1 688.922 5.590 1 0 KKAFMN C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000072126794 562725387 /nfs/dbraw/zinc/72/53/87/562725387.db2.gz CWZXBJMDDIOGRX-PQDHALMWSA-N 0 1 651.776 7.939 1 0 KKAFMN O=S(=O)([N-]c1ccc(C[C@@H]2CC[C@H]([C@@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072126805 562725451 /nfs/dbraw/zinc/72/54/51/562725451.db2.gz CVNUDPVQPWCUGZ-GOVYPMRZSA-N 0 1 649.760 7.693 1 0 KKAFMN CCCCNc1nc(NCCCC)[nH+]c(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)n1 ZINC000072128878 562726383 /nfs/dbraw/zinc/72/63/83/562726383.db2.gz HRBYLFSUVRYUMG-UHFFFAOYSA-N 0 1 688.702 5.981 1 0 KKAFMN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)[N-]C(C)C)c(F)cc2Cl)CC1 ZINC000072131638 562726692 /nfs/dbraw/zinc/72/66/92/562726692.db2.gz IOVHYBNUUALRFV-BWMKXQIXSA-N 0 1 724.318 7.395 1 0 KKAFMN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)[N-]C(C)C)c(F)cc2Cl)CC1 ZINC000072131638 562726693 /nfs/dbraw/zinc/72/66/93/562726693.db2.gz IOVHYBNUUALRFV-BWMKXQIXSA-N 0 1 724.318 7.395 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000072134799 562727344 /nfs/dbraw/zinc/72/73/44/562727344.db2.gz ALCLFRAJEMGOIC-GNBJCERTSA-N 0 1 652.667 5.029 3 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000072137711 562728386 /nfs/dbraw/zinc/72/83/86/562728386.db2.gz ORCUQVZUTYUDHO-OWOAZTCBSA-N 0 1 585.532 5.990 1 0 KKAFMN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C=CCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171081 562730481 /nfs/dbraw/zinc/73/04/81/562730481.db2.gz JGUWRDGVCUGGGI-XMMPIXPASA-N 0 1 556.615 5.296 1 0 KKAFMN COC(=O)Nc1ccc2c(c1)CCCCc1cccc(c1)C[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1 ZINC000072316251 562733114 /nfs/dbraw/zinc/73/31/14/562733114.db2.gz AZNAOFHIYNOMBB-SPNSGGJLSA-N 0 1 657.562 6.530 1 0 KKAFMN O=C(N[C@@H](c1ccc(Cl)cc1)c1ccnc(F)c1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000072318466 562733267 /nfs/dbraw/zinc/73/32/67/562733267.db2.gz ABJSOROVZZKJGI-CRFRDXJISA-N 0 1 586.933 6.127 1 0 in-vitro KKAFMN Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2C)c2cccc(F)c2)CC1 ZINC000082138052 562739144 /nfs/dbraw/zinc/73/91/44/562739144.db2.gz LVTIZLQTCNISDX-UHFFFAOYSA-N 0 1 661.760 5.198 1 0 KKAFMN CCN1CCN(C[C@H]2S[C@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164707 562741211 /nfs/dbraw/zinc/74/12/11/562741211.db2.gz SZDNRBMQYZRUIM-QIKUIUABSA-N 0 1 691.862 5.110 1 0 KKAFMN CCN1CCN(C[C@@H]2S[C@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165090 562741363 /nfs/dbraw/zinc/74/13/63/562741363.db2.gz QXSAFGQAHODVKD-AFPLUKJUSA-N 0 1 726.307 5.764 1 0 KKAFMN CCN1CCN(C[C@H]2S[C@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170264 562741480 /nfs/dbraw/zinc/74/14/80/562741480.db2.gz QGOMFWNTZLMDCP-FHPVIJFVSA-N 0 1 721.888 5.119 1 0 KKAFMN CC(C)=CCC1(CC=C(C)C)C(=O)[C@](O)(CC(C)=O)C(=O)c2oc3cc4c(c(O)c3c(=O)c21)C=CC(C)(C)O4 ZINC000084603942 562744227 /nfs/dbraw/zinc/74/42/27/562744227.db2.gz VDCUEILRTFTERJ-HKBQPEDESA-N 0 1 534.605 5.109 1 0 KKAFMN CC[C@H](N)c1oc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)nc1C(=O)NCc1ccc(Cl)cc1 ZINC000084604452 562744287 /nfs/dbraw/zinc/74/42/87/562744287.db2.gz MCCKQHWROTZNBD-KRWDZBQOSA-N 0 1 518.923 5.910 1 0 KKAFMN COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 ZINC000084605415 562744354 /nfs/dbraw/zinc/74/43/54/562744354.db2.gz IJOCSKCDBYPCIX-NSHDSACASA-N 0 1 522.886 5.659 1 0 KKAFMN Cc1cccc(C[C@@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(-c4ccccc4)nnc3[C@H](Cc3n[nH]c4ccccc43)C2=O)c1 ZINC000084635691 562746207 /nfs/dbraw/zinc/74/62/07/562746207.db2.gz DXQILTBKODCQIQ-SMCANUKXSA-N 0 1 635.772 6.416 1 0 KKAFMN Cc1cccc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(-c4ccccc4)nnc3[C@H](Cc3n[nH]c4ccccc43)C2=O)c1 ZINC000084635694 562746229 /nfs/dbraw/zinc/74/62/29/562746229.db2.gz DXQILTBKODCQIQ-VEEOACQBSA-N 0 1 635.772 6.416 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548861 562759547 /nfs/dbraw/zinc/75/95/47/562759547.db2.gz NEUMPLGRWKXMEG-ATBXQPEQSA-N 0 1 754.847 5.600 1 0 KKAFMN C[C@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548854 562759571 /nfs/dbraw/zinc/75/95/71/562759571.db2.gz LSIFUWIWPRWHMV-CWXSISCDSA-N 0 1 778.844 6.372 1 0 KKAFMN 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/nfs/dbraw/zinc/79/24/87/562792487.db2.gz KURNKEVLTNXFLU-MUUNZHRXSA-N 0 1 689.805 6.529 1 0 KKAFMN CCCc1scc(-c2cn[nH]c2)c1C[C@@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)c1nccc(=O)[nH]1 ZINC000096269757 562793005 /nfs/dbraw/zinc/79/30/05/562793005.db2.gz VZGLRGZNIAWDHX-JOCHJYFZSA-N 0 1 521.090 5.482 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302069 562796259 /nfs/dbraw/zinc/79/62/59/562796259.db2.gz ZLYNHSASOQYQSU-ABAVYFCKSA-N 0 1 572.769 6.171 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302069 562796260 /nfs/dbraw/zinc/79/62/60/562796260.db2.gz ZLYNHSASOQYQSU-ABAVYFCKSA-N 0 1 572.769 6.171 1 0 KKAFMN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000096904487 562798364 /nfs/dbraw/zinc/79/83/64/562798364.db2.gz DRIHBCAFYYEGLI-IGMOWHQGSA-N 0 1 791.990 5.138 1 0 KKAFMN 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/nfs/dbraw/zinc/79/99/51/562799951.db2.gz AVYTZTJAALMRFJ-UUQVTFPXSA-N 0 1 550.699 6.693 1 0 KKAFMN CCOc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000096928316 562802851 /nfs/dbraw/zinc/80/28/51/562802851.db2.gz IIKPZXNHNNUOAD-UHFFFAOYSA-N 0 1 614.146 5.965 1 0 KKAFMN CN1CCN(c2nc3c(c(=N)n2-c2ccccc2)c(=S)n(-c2ccccc2)c(=S)n3-c2ccccc2)CC1 ZINC000096938512 562804527 /nfs/dbraw/zinc/80/45/27/562804527.db2.gz ILRKPPLCPCPUEM-UHFFFAOYSA-N 0 1 537.718 5.297 1 0 KKAFMN CCOC(=O)C1=C(COCCNC2=NC(=O)CS2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000100049694 562806436 /nfs/dbraw/zinc/80/64/36/562806436.db2.gz BUTGJIOWDJPZLP-LOFJQREMSA-N 0 1 542.441 5.076 1 0 KKAFMN C[N@@H+]1C(c2ccc(OCc3cc(N4CCCC4=O)ccc3N3CCOCC3)cc2)=C(C2CCCCC2)[C@H]2SC(C(=O)[O-])=C[C@@H]21 ZINC000101112249 562809280 /nfs/dbraw/zinc/80/92/80/562809280.db2.gz HYOXASZMNNXLAB-DODOAAEWSA-N 0 1 615.796 5.918 1 0 KKAFMN COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)[C@@H]2Oc3c(c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000101169910 562809584 /nfs/dbraw/zinc/80/95/84/562809584.db2.gz OSJRZMYTBINECU-DFHRPNOPSA-N 0 1 510.970 5.331 1 0 KKAFMN COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)C2Oc3c(c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000101169910 562809585 /nfs/dbraw/zinc/80/95/85/562809585.db2.gz OSJRZMYTBINECU-DFHRPNOPSA-N 0 1 510.970 5.331 1 0 KKAFMN Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2cccc(Br)c2)c(O)c2ccccc21 ZINC000101425599 562810659 /nfs/dbraw/zinc/81/06/59/562810659.db2.gz TTYJVAAAFMPNHL-LJAQVGFWSA-N 0 1 607.504 7.068 1 0 KKAFMN C[C@@H]1CN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000101696370 562811913 /nfs/dbraw/zinc/81/19/13/562811913.db2.gz IBHCGWDHOSZERH-SZPZYZBQSA-N 0 1 570.711 6.153 1 0 KKAFMN CC(C)N1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696388 562811917 /nfs/dbraw/zinc/81/19/17/562811917.db2.gz VKROKKNAZJKOSP-UHFFFAOYSA-N 0 1 596.753 5.629 1 0 KKAFMN O=C(CN1CCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696577 562811958 /nfs/dbraw/zinc/81/19/58/562811958.db2.gz ZCPMKVRLXQKKKO-UHFFFAOYSA-N 0 1 553.684 6.089 1 0 KKAFMN CCN1CC2=C(N=C3SC=CN3[C@@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929152 562813538 /nfs/dbraw/zinc/81/35/38/562813538.db2.gz XRLXAIBHEHFVBX-AUEATDLBSA-N 0 1 505.640 5.325 1 0 KKAFMN O=C(CNc1c(Cl)cccc1Cl)Nc1ccc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2c1O ZINC000102935230 562813567 /nfs/dbraw/zinc/81/35/67/562813567.db2.gz AAHVZBOFTGNEMJ-FQEVSTJZSA-N 0 1 585.296 5.907 1 0 KKAFMN Cc1[nH]n(-c2ccccc2)c(=O)c1C(N(CCc1ccccc1)C1=NC[C@@H](C)S1)(C(F)(F)F)C(F)(F)F ZINC000102939850 562813620 /nfs/dbraw/zinc/81/36/20/562813620.db2.gz NMHAUEGEWDUFAM-MRXNPFEDSA-N 0 1 542.549 5.830 1 0 KKAFMN CCN(CC)CCN=[S@@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000103070368 562814223 /nfs/dbraw/zinc/81/42/23/562814223.db2.gz NOBFIFQEUVJBSH-QNGWXLTQSA-N 0 1 562.523 5.692 1 0 KKAFMN COCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2nc[nH]c2cc1Cl ZINC000103229629 562818075 /nfs/dbraw/zinc/81/80/75/562818075.db2.gz BFRAHKOHZITNNT-UHFFFAOYSA-N 0 1 534.931 5.263 1 0 KKAFMN Cc1oc([C@@](C)(N)COP(=O)([O-])[O-])nc1-c1ccc(OCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 ZINC000103238252 562819085 /nfs/dbraw/zinc/81/90/85/562819085.db2.gz UHMMIZCDPRBHKJ-SANMLTNESA-N 0 1 562.481 6.198 1 0 KKAFMN Fc1ccc2nc(N[C@](Cc3ccccc3)(c3cc(F)cc(OC(F)(F)C(F)F)c3)c3ccc(Cl)cn3)[nH]c2c1 ZINC000103261151 562821338 /nfs/dbraw/zinc/82/13/38/562821338.db2.gz CLGKMSSPTGEPGJ-HHHXNRCGSA-N 0 1 576.928 7.725 1 0 KKAFMN CN1CCN(c2ccccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268254 562822661 /nfs/dbraw/zinc/82/26/61/562822661.db2.gz ORQLPHMUPMGJPQ-NDKRRWIDSA-N 0 1 632.875 5.246 1 0 KKAFMN CN1CCN(c2ccc(Nc3ncc4cc(S(=O)(=O)Cc5ccc(Cl)cc5)c(=O)n(C5CCCC5)c4n3)cc2)CC1 ZINC000103269233 562822766 /nfs/dbraw/zinc/82/27/66/562822766.db2.gz CCTXAPXPAYKHKY-UHFFFAOYSA-N 0 1 593.153 5.029 1 0 KKAFMN O=C(N[C@@H](c1ccc(Cl)cc1)c1cnccn1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283345 562823654 /nfs/dbraw/zinc/82/36/54/562823654.db2.gz ZYRYGROQEGIXCQ-QUUPDEESSA-N 0 1 569.931 5.383 1 0 KKAFMN [NH3+][C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(F)c5)cc43)cn2)C1 ZINC000114037611 562827250 /nfs/dbraw/zinc/82/72/50/562827250.db2.gz RNDRXUOKCDOSTQ-LJQANCHMSA-N 0 1 515.564 5.544 1 0 KKAFMN C[N@H+]1CCC[C@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)nc1 ZINC000114037952 562827253 /nfs/dbraw/zinc/82/72/53/562827253.db2.gz XPUUSISYMIEIRQ-VWLOTQADSA-N 0 1 517.004 6.898 1 0 KKAFMN Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cccc(Cl)c4)[nH]c3Cl)ccc12 ZINC000115471329 562828957 /nfs/dbraw/zinc/82/89/57/562828957.db2.gz DENOEYKJDXUAQF-NRFANRHFSA-N 0 1 520.424 5.625 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138928380 562832237 /nfs/dbraw/zinc/83/22/37/562832237.db2.gz YTHUQGIGAIZNIM-LJAQVGFWSA-N 0 1 519.653 5.078 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cncc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000140210955 562832968 /nfs/dbraw/zinc/83/29/68/562832968.db2.gz ARMQEXPEPILDKM-XYYXAZEESA-N 0 1 619.214 6.310 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000141258429 562833534 /nfs/dbraw/zinc/83/35/34/562833534.db2.gz SPJYYHRCQGVTHT-UHFFFAOYSA-N 0 1 572.050 5.692 1 0 KKAFMN COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1cccc(C)c1Cl)CC2 ZINC000143052021 562834522 /nfs/dbraw/zinc/83/45/22/562834522.db2.gz GCWDRCMBCSVOIO-UHFFFAOYSA-N 0 1 530.076 5.109 1 0 KKAFMN CC(C)(C)n1cc(C[N@H+]2CCC[C@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(-c2ccc(F)c(F)c2F)n1 ZINC000144543803 562836423 /nfs/dbraw/zinc/83/64/23/562836423.db2.gz GQTPUVOREKBOEK-GDLZYMKVSA-N 0 1 556.585 5.802 1 0 KKAFMN CC(C)(C)n1cc(C[N@@H+]2CC[C@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)C2)c(-c2ccc(F)c(F)c2F)n1 ZINC000144623543 562836493 /nfs/dbraw/zinc/83/64/93/562836493.db2.gz BKWNZAPXGXJSPH-HHHXNRCGSA-N 0 1 528.531 5.022 1 0 KKAFMN CC(C)(C)n1cc(C[N@H+]2CC[C@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)C2)c(-c2ccc(F)c(F)c2F)n1 ZINC000144623543 562836494 /nfs/dbraw/zinc/83/64/94/562836494.db2.gz BKWNZAPXGXJSPH-HHHXNRCGSA-N 0 1 528.531 5.022 1 0 KKAFMN C[N@@H+]1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2[n-]cc(F)s2)C3)CC1 ZINC000147506726 562839449 /nfs/dbraw/zinc/83/94/49/562839449.db2.gz JIHSVBWAKKLMNO-UHFFFAOYSA-N 0 1 552.619 5.402 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCc3cccnc3)nc21 ZINC000148129643 562840263 /nfs/dbraw/zinc/84/02/63/562840263.db2.gz ARHLJYPIRIESLF-UHFFFAOYSA-N 0 1 613.648 6.346 1 0 KKAFMN CCN1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N[C@@H]6CCOC6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000148255132 562840713 /nfs/dbraw/zinc/84/07/13/562840713.db2.gz KBAGSCMZYWHUIY-JOCHJYFZSA-N 0 1 621.668 5.086 1 0 KKAFMN CCCCC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000148345672 562841096 /nfs/dbraw/zinc/84/10/96/562841096.db2.gz HFXHLNFJXQIPEB-WZZFPTNTSA-N 0 1 638.644 7.322 1 0 KKAFMN Cc1[nH]nc2ccc(C)c(-c3nc4c(c(N5CCCC[C@H]5C)n3)CN(c3cc(C(C)C)ccc3C)CC4)c21 ZINC000149153051 562842254 /nfs/dbraw/zinc/84/22/54/562842254.db2.gz SMYHNFUQAVSHCL-JOCHJYFZSA-N 0 1 508.714 7.010 1 0 KKAFMN [NH3+]CCc1c2ccc(Br)cc2[nH]c1[C@H](c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1[nH]c2cc(Br)ccc2c1CC[N-]C(=O)C(F)(F)F ZINC000150522773 562843524 /nfs/dbraw/zinc/84/35/24/562843524.db2.gz IFCHILTVHARJQZ-XIFFEERXSA-N 0 1 841.548 8.268 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(-c2ccc(C(C)(C)C)cc2)[nH]1)C(=O)NCc1ccccc1 ZINC000150523004 562843574 /nfs/dbraw/zinc/84/35/74/562843574.db2.gz RDFDYXNDWVKPCI-LQJZCPKCSA-N 0 1 662.835 6.335 1 0 KKAFMN O=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000150546476 562844450 /nfs/dbraw/zinc/84/44/50/562844450.db2.gz UHVZJGLMCCENGN-UHFFFAOYSA-N 0 1 662.787 6.954 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586034 562845817 /nfs/dbraw/zinc/84/58/17/562845817.db2.gz XUEBXQWSAJBKJO-PZSMLTKBSA-N 0 1 741.878 6.253 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588316 562845971 /nfs/dbraw/zinc/84/59/71/562845971.db2.gz IZLDOWNQXOSBQR-WNOXWKSXSA-N 0 1 820.774 7.015 1 0 KKAFMN CN1CCN(c2cccc(F)c2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606279 562847903 /nfs/dbraw/zinc/84/79/03/562847903.db2.gz HRPFCELYJVARIK-NHZFLZHXSA-N 0 1 664.892 5.428 1 0 KKAFMN CCOCC[N@@H+]1C[C@@]23COC[C@@]2(CN(C(=O)[C@]24C[C@H]2c2cc(OC)ccc2-c2c(C5CCCCC5)c5ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc5n2C4)C3)C1 ZINC000165409229 562850213 /nfs/dbraw/zinc/85/02/13/562850213.db2.gz PEDRYBXFFFSWRH-WHGPXECPSA-N 0 1 758.982 5.517 1 0 KKAFMN CC(C)(C)OC(=O)C1C(=O)NC(=O)C[C@@H]1C[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000169290798 562851835 /nfs/dbraw/zinc/85/18/35/562851835.db2.gz SFRGAJOOYXWWKE-TWXNZYBRSA-N 0 1 587.713 5.385 1 0 KKAFMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)N[C@@]32c3ccccc3N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000169306256 562853517 /nfs/dbraw/zinc/85/35/17/562853517.db2.gz RGXIFMIXXMRVPN-XMLWSKSPSA-N 0 1 683.849 7.126 1 0 KKAFMN CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(c4ccccc4N(Cc4ccc(C(C)(C)C)cc4)C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 ZINC000169306241 562853540 /nfs/dbraw/zinc/85/35/40/562853540.db2.gz LKZPTSTVIYXXMC-HMUUHYCCSA-N 0 1 720.708 7.686 1 0 KKAFMN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@@H]3c3ccc(Cl)cc3)nc12 ZINC000169307144 562853734 /nfs/dbraw/zinc/85/37/34/562853734.db2.gz JACJQEPVGJNOEK-MUUNZHRXSA-N 0 1 541.036 5.363 1 0 KKAFMN CCc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1 ZINC000169311390 562855145 /nfs/dbraw/zinc/85/51/45/562855145.db2.gz HUSRTGBJPIPAKE-UHFFFAOYSA-N 0 1 564.612 5.396 1 0 KKAFMN O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169312094 562855273 /nfs/dbraw/zinc/85/52/73/562855273.db2.gz AQBIPWHIWZFQLT-FCHUYYIVSA-N 0 1 554.638 6.039 1 0 KKAFMN C[C@H](NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=NC23CCC(C(C)(C)C)CC3)cc1)c1nn[nH]n1 ZINC000169313232 562855608 /nfs/dbraw/zinc/85/56/08/562855608.db2.gz SSFDSCROUPZZIQ-SCMCWZEVSA-N 0 1 666.698 8.129 1 0 KKAFMN O=C1OC=C2Nc3ccc4cn[nH]c4c3[C@@H](c3ccc(-c4ccc(-c5cc(F)c(F)c(F)c5)cc4)cc3)C12 ZINC000169337379 562860013 /nfs/dbraw/zinc/86/00/13/562860013.db2.gz KOHIBCWXSWDBKM-RUZDIDTESA-N 0 1 509.487 6.683 1 0 KKAFMN CCn1c(CCCc2ccc(-c3ccc(NS(=O)(=O)c4ccccc4)nc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343883 562861310 /nfs/dbraw/zinc/86/13/10/562861310.db2.gz VCNWUXCYLQFCAQ-UHFFFAOYSA-N 0 1 609.796 6.449 1 0 KKAFMN COc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(c7ccccc7)CC6)ccc5[nH]4)cc3[nH]2)cc1OC ZINC000169352534 562863117 /nfs/dbraw/zinc/86/31/17/562863117.db2.gz QBRWDTXRJWLALG-UHFFFAOYSA-N 0 1 530.632 6.117 1 0 KKAFMN COc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(c7ccc(F)cc7)CC6)ccc5[nH]4)cc3[nH]2)cc1OC ZINC000169352832 562863276 /nfs/dbraw/zinc/86/32/76/562863276.db2.gz SJFYMIMJEODTNG-UHFFFAOYSA-N 0 1 548.622 6.256 1 0 KKAFMN CC[C@@H](C)S(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1 ZINC000169694639 562865432 /nfs/dbraw/zinc/86/54/32/562865432.db2.gz MRPOACDQGFMWBR-JKSUJKDBSA-N 0 1 578.139 5.181 1 0 KKAFMN COc1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702392 562868323 /nfs/dbraw/zinc/86/83/23/562868323.db2.gz SKJDTEQRQLIMED-UHFFFAOYSA-N 0 1 635.172 5.838 1 0 KKAFMN CC(C)n1c(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 ZINC000198988290 562872860 /nfs/dbraw/zinc/87/28/60/562872860.db2.gz VSRRLIKKZGFAMN-UHFFFAOYSA-N 0 1 601.130 7.018 1 0 KKAFMN 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/nfs/dbraw/zinc/87/63/83/562876383.db2.gz UNZCOOAPYFTFKR-NDEPHWFRSA-N 0 1 540.539 5.927 1 0 KKAFMN CC(C)(C)OC(=O)N1C[C@H](Nc2nc3ccc(F)cc3[nH]2)[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000206708767 562876489 /nfs/dbraw/zinc/87/64/89/562876489.db2.gz ONXOLONSBJTOEF-DQEYMECFSA-N 0 1 516.573 5.626 1 0 KKAFMN CC(C)(C)OC(=O)N1C[C@H](Nc2nc3ccc(Cl)cc3[nH]2)[C@@H](OC(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000206708947 562876544 /nfs/dbraw/zinc/87/65/44/562876544.db2.gz TZCXLZVWXGESIG-DQEYMECFSA-N 0 1 549.027 6.265 1 0 KKAFMN CCOc1cc2ncnc(Nc3ccc(OCC4CC4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/CN(C)C ZINC000214025281 562877255 /nfs/dbraw/zinc/87/72/55/562877255.db2.gz CPKOOPNFOWNEFT-UKWGHVSLSA-N 0 1 514.001 5.568 1 0 KKAFMN COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C(F)=C\CN(C)C ZINC000214023562 562877281 /nfs/dbraw/zinc/87/72/81/562877281.db2.gz YGVOTPAIXFJINL-LSFURLLWSA-N 0 1 553.997 6.107 1 0 KKAFMN FC(F)(F)c1cccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccc(Cl)cc4[nH]3)n2)c1 ZINC000215311907 562877385 /nfs/dbraw/zinc/87/73/85/562877385.db2.gz XDVWHCHWZCTNKS-UHFFFAOYSA-N 0 1 511.960 7.728 1 0 KKAFMN CCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(C6CC6)on5)cc4)s3)nc(C)n2)CC1 ZINC000222005195 562879465 /nfs/dbraw/zinc/87/94/65/562879465.db2.gz GCPZPTPTTRYEEE-UHFFFAOYSA-N 0 1 545.673 5.303 1 0 KKAFMN CC[C@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(C)c1)C[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000224845022 562880568 /nfs/dbraw/zinc/88/05/68/562880568.db2.gz ZAWUAUMAVCRUKX-OASJLCFRSA-N 0 1 556.103 5.231 1 0 KKAFMN O=C([O-])[C@@]12C[C@@H](OCc3ccccc3)C[N@H+]1[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000253679570 562882813 /nfs/dbraw/zinc/88/28/13/562882813.db2.gz XLGYEYQAMCYTAF-SRVIBMTNSA-N 0 1 630.322 5.731 1 0 KKAFMN Cc1c(-c2cc(Nc3ccc(N4CCN(C)CC4)cn3)c(=O)n(C)c2)cccc1N1C(=O)c2ccc(C(C)(C)C)cc2C1=O ZINC000299841009 562888685 /nfs/dbraw/zinc/88/86/85/562888685.db2.gz XIIFRYLCYAYLIG-UHFFFAOYSA-N 0 1 590.728 5.349 1 0 KKAFMN CCOc1ccc(-c2nc(NC(=O)[C@@H](N)COCc3ccccc3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299851619 562890777 /nfs/dbraw/zinc/89/07/77/562890777.db2.gz HHQZBKHGGQWBCV-QHCPKHFHSA-N 0 1 563.676 5.384 1 0 KKAFMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccc(Cl)cc3)cc2)n1 ZINC000299857930 562892372 /nfs/dbraw/zinc/89/23/72/562892372.db2.gz FUUNNKUOYSTIJC-QQXSKIMKSA-N 0 1 612.067 5.489 1 0 KKAFMN Clc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(Nc3cccc(OCCN4CCSCC4)c3)n2)cc1 ZINC000299869903 562895377 /nfs/dbraw/zinc/89/53/77/562895377.db2.gz VQADROVCMZMCOZ-UHFFFAOYSA-N 0 1 537.516 7.289 1 0 KKAFMN O=c1sc2ccccc2n1CCCCCCN1CC[NH+](CCCCn2c3ccccc3sc2=O)CC1 ZINC000473083096 562896767 /nfs/dbraw/zinc/89/67/67/562896767.db2.gz MLAORVLYHRLZAJ-UHFFFAOYSA-N 0 1 524.756 5.098 1 0 KKAFMN COc1ccccc1C[N@H+](C)CCCCOc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)cc1 ZINC000473113551 562898810 /nfs/dbraw/zinc/89/88/10/562898810.db2.gz JGPRYZHRUVQQMM-UHFFFAOYSA-N 0 1 519.594 5.482 1 0 KKAFMN COc1ccccc1C[N@@H+](C)CCCCOc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)cc1 ZINC000473113551 562898811 /nfs/dbraw/zinc/89/88/11/562898811.db2.gz JGPRYZHRUVQQMM-UHFFFAOYSA-N 0 1 519.594 5.482 1 0 KKAFMN Cc1ccc(Cn2cc(CN3CCN(c4ccc(Cl)cc4)CC3)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473134868 562900590 /nfs/dbraw/zinc/90/05/90/562900590.db2.gz DCFVTADSSVUZAM-UHFFFAOYSA-N 0 1 504.505 7.449 1 0 KKAFMN CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136167 562900964 /nfs/dbraw/zinc/90/09/64/562900964.db2.gz NMZKUZFCZYLPLW-OIZKAKEOSA-N 0 1 571.146 7.433 1 0 KKAFMN COc1cc(-c2ccc3[nH+]cc(C(=O)C(C)C)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473152151 562901758 /nfs/dbraw/zinc/90/17/58/562901758.db2.gz WNKUFDKZDNWOCP-XGAFWQRZSA-N 0 1 510.078 6.062 1 0 KKAFMN COc1cc2[nH]c([C@@H](CNC(=O)c3c(Cl)cc(-n4cnc(C)n4)cc3Cl)c3cccc(F)c3)nc2cc1Cl ZINC000473156986 562902523 /nfs/dbraw/zinc/90/25/23/562902523.db2.gz TYWWABBJXVGGPH-KRWDZBQOSA-N 0 1 573.843 6.122 1 0 KKAFMN 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/nfs/dbraw/zinc/90/50/48/562905048.db2.gz LSNNAZAFNVZLRL-UHFFFAOYSA-N 0 1 596.573 5.718 1 0 KKAFMN Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCC[NH+](C)C)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653676834 562906266 /nfs/dbraw/zinc/90/62/66/562906266.db2.gz QOOULEPHTXXQFJ-UHFFFAOYSA-N 0 1 547.055 5.694 1 0 KKAFMN CC[NH+](CC)CCOc1ccc(CN(C(=O)c2ccc(O)cc2[O-])c2ccc(-c3nc(C)ncc3C)cc2)cc1 ZINC000653686455 562906486 /nfs/dbraw/zinc/90/64/86/562906486.db2.gz MADDXIDRBJNRSI-UHFFFAOYSA-N 0 1 540.664 5.739 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(O)c5c(=O)c4OCc4ccccc4)ccc3O[C@H]2CO)ccc1O ZINC000653687479 562906526 /nfs/dbraw/zinc/90/65/26/562906526.db2.gz SNXNJCHNDFOVAZ-PIZIKKFZSA-N 0 1 660.675 6.911 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(O)c5c(=O)c4OCc4ccccc4)ccc3O[C@@H]2CO)ccc1O ZINC000653687481 562906533 /nfs/dbraw/zinc/90/65/33/562906533.db2.gz SNXNJCHNDFOVAZ-ZLHGTEGGSA-N 0 1 660.675 6.911 1 0 KKAFMN COc1ccc(Cc2nc(SCc3cccc(Cl)c3)[nH]c(=O)c2I)cc1OC ZINC000653714158 562908321 /nfs/dbraw/zinc/90/83/21/562908321.db2.gz GVSMWVPGPFKHTG-UHFFFAOYSA-N 0 1 528.799 5.341 1 0 KKAFMN COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[C@@H](NC(=O)CN(C)C)C2(C)C ZINC000653728698 562909303 /nfs/dbraw/zinc/90/93/03/562909303.db2.gz PAPRNXKXHZHNHV-AREMUKBSSA-N 0 1 615.200 5.078 1 0 KKAFMN O=c1[nH]c2c(c3cc(-c4cccc(NS(=O)(=O)c5ccc(F)cc5)c4)ccc3oc2=O)n1-c1ccccc1 ZINC000653741184 562910216 /nfs/dbraw/zinc/91/02/16/562910216.db2.gz LWSCTDRCTFTDOV-UHFFFAOYSA-N 0 1 527.533 5.444 1 0 KKAFMN Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(C[NH+]3CCCC3)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653752933 562910755 /nfs/dbraw/zinc/91/07/55/562910755.db2.gz NIFFCPBINGKORT-UHFFFAOYSA-N 0 1 543.667 7.064 1 0 KKAFMN CC[NH2+]Cc1ccc(CN(C(=O)c2ccc(O)cc2[O-])c2ccc(-c3nc4ccccc4cc3C)cc2)cc1 ZINC000653754901 562910866 /nfs/dbraw/zinc/91/08/66/562910866.db2.gz JNFBWHSFRTTWQW-UHFFFAOYSA-N 0 1 517.629 6.578 1 0 KKAFMN C=CC(=O)Nc1cccc(-n2c(=O)cc(-c3ccc(-c4ccccc4)cc3)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1 ZINC000653759932 562911199 /nfs/dbraw/zinc/91/11/99/562911199.db2.gz BJINZCTTXCLMHK-UHFFFAOYSA-N 0 1 663.782 6.743 1 0 KKAFMN CCCCCOc1cc([O-])c2c(=O)c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc2c1 ZINC000653785007 562912313 /nfs/dbraw/zinc/91/23/13/562912313.db2.gz SFSWFZDKBOSBEU-VAVYLYDRSA-N 0 1 550.560 5.028 1 0 KKAFMN C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N(C)C(=O)CN(C)C)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822621 562914174 /nfs/dbraw/zinc/91/41/74/562914174.db2.gz FARNSAZMRIPYES-CQSZACIVSA-N 0 1 538.439 5.472 1 0 KKAFMN O=C(Nc1ccc(F)cc1F)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653823220 562914268 /nfs/dbraw/zinc/91/42/68/562914268.db2.gz IQTVUVOQSJHFBB-UHFFFAOYSA-N 0 1 529.732 5.757 1 0 KKAFMN C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1)c1c(Cl)ccnc1Cl ZINC000653829526 562914479 /nfs/dbraw/zinc/91/44/79/562914479.db2.gz QGVWOPLCQCNGAH-OAHLLOKOSA-N 0 1 507.425 6.938 1 0 KKAFMN O=C(Nc1ccc(Oc2ccnc(-c3nncn3CCCN3CCOCC3)c2)c(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000653842159 562914955 /nfs/dbraw/zinc/91/49/55/562914955.db2.gz XNSIGSSBLGAWFV-UHFFFAOYSA-N 0 1 620.007 6.310 1 0 KKAFMN CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCCN4CCOCC4)cc3)c3ccccc3c2=O)cc1 ZINC000653850173 562915463 /nfs/dbraw/zinc/91/54/63/562915463.db2.gz OGDVMOYVCNDWDH-UHFFFAOYSA-N 0 1 526.681 5.390 1 0 KKAFMN CCc1c(OC)cncc1N1C(=O)c2c(c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2Cl)C1=O ZINC000653852887 562915604 /nfs/dbraw/zinc/91/56/04/562915604.db2.gz BIZCMRZLYLYWDA-UHFFFAOYSA-N 0 1 528.030 5.205 1 0 KKAFMN COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3c(OC)c4c(c(c13)Oc1c3c(cc(OC)c1OC)[C@@H](C2)N(C)CC3)OCO4 ZINC000085541026 565139231 /nfs/dbraw/zinc/13/92/31/565139231.db2.gz OSOKLEWJPLGVBW-MUUNZHRXSA-N 0 1 648.712 7.258 1 0 biogenic,in-vitro KKAFMN COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CCN4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000095098949 565172113 /nfs/dbraw/zinc/17/21/13/565172113.db2.gz FFYNASFFQZNXIU-NSOVKSMOSA-N 0 1 684.786 6.163 1 0 biogenic,in-vitro KKAFMN COc1c([O-])c(CCc2cccc(-c3cc(C4(C)CCCC4)[nH]c3N3CC[NH2+]CC3)c2)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO ZINC000150350023 565202471 /nfs/dbraw/zinc/20/24/71/565202471.db2.gz GIGBMEBZNQMAJU-UHFFFAOYSA-N 0 1 692.833 6.448 1 0 biogenic,in-vitro KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cc4ccccn43)cc2)cc1OC ZINC000003922444 561685886 /nfs/dbraw/zinc/68/58/86/561685886.db2.gz LFTRZGGKYPBWRF-UHFFFAOYSA-N 0 1 550.721 5.856 1 0 KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4oc3C(C)C)cc2)cc1OC ZINC000003922448 561685944 /nfs/dbraw/zinc/68/59/44/561685944.db2.gz YQKXFLGSXCVXCX-UHFFFAOYSA-N 0 1 551.705 6.350 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)CCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CC)cc1 ZINC000013470131 561713751 /nfs/dbraw/zinc/71/37/51/561713751.db2.gz IHPCPJMKFZLPSZ-XUEBXJBISA-N 0 1 506.687 5.454 1 0 KKAFMN COC(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475839 561714698 /nfs/dbraw/zinc/71/46/98/561714698.db2.gz HVDRJOSWHPOEEN-UHFFFAOYSA-N 0 1 517.601 5.914 1 0 KKAFMN CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000013479580 561714990 /nfs/dbraw/zinc/71/49/90/561714990.db2.gz XEQPCWADPBBPBI-MLKSZZLFSA-N 0 1 516.698 5.984 1 0 KKAFMN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000013479580 561714992 /nfs/dbraw/zinc/71/49/92/561714992.db2.gz XEQPCWADPBBPBI-MLKSZZLFSA-N 0 1 516.698 5.984 1 0 KKAFMN O=C(NCCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O ZINC000013534351 561717783 /nfs/dbraw/zinc/71/77/83/561717783.db2.gz HTQLYZCPYPEYGO-UHFFFAOYSA-N 0 1 522.476 5.927 1 0 KKAFMN CC(C)c1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761650 561727901 /nfs/dbraw/zinc/72/79/01/561727901.db2.gz TUHVTOYYHANQMW-MHZLTWQESA-N 0 1 521.679 6.471 1 0 KKAFMN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(CN)nc2ccccc2c1-c1ccccc1 ZINC000013559603 561719586 /nfs/dbraw/zinc/71/95/86/561719586.db2.gz BQDJZPXUORQZMS-UHFFFAOYSA-N 0 1 517.473 6.670 1 0 KKAFMN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761652 561728012 /nfs/dbraw/zinc/72/80/12/561728012.db2.gz OOAVNTQEOJWXBW-MHZLTWQESA-N 0 1 535.706 6.645 1 0 KKAFMN CCCC[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761709 561728146 /nfs/dbraw/zinc/72/81/46/561728146.db2.gz WINNFDUWGPPOBZ-QHCPKHFHSA-N 0 1 513.631 6.266 1 0 KKAFMN CCCCc1[nH+]cc(/C=C(\Cc2cccc(Oc3ccccc3)c2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000013728127 561725143 /nfs/dbraw/zinc/72/51/43/561725143.db2.gz WEVNTHMLXUOYGL-LYBHJNIJSA-N 0 1 501.026 7.430 1 0 KKAFMN COc1ccc(C(OCC[N@H+]2CCC[C@@H](C(=O)[O-])C2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000013737905 561725677 /nfs/dbraw/zinc/72/56/77/561725677.db2.gz HSSYPZBJVLXPLH-HXUWFJFHSA-N 0 1 514.449 6.107 1 0 KKAFMN CC[C@@H](Cc1ccccc1)c1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1 ZINC000013756576 561727294 /nfs/dbraw/zinc/72/72/94/561727294.db2.gz KPHRDRFCGGZQJY-PZGXJGMVSA-N 0 1 529.658 6.424 1 0 KKAFMN COc1cc2c(cc1OC)CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2 ZINC000013781691 561729443 /nfs/dbraw/zinc/72/94/43/561729443.db2.gz QQVFLDPVNBJVOR-LJAQVGFWSA-N 0 1 540.770 6.027 1 0 KKAFMN Clc1cc(Cl)c2c(c1)nc1c(c2NCCCCCCCSc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000014947269 561744543 /nfs/dbraw/zinc/74/45/43/561744543.db2.gz TVJGNZTYBOUSAY-UHFFFAOYSA-N 0 1 578.653 10.002 1 0 KKAFMN Cc1cccc(C)c1OC(=O)N(c1ccccc1)c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000014965401 561749645 /nfs/dbraw/zinc/74/96/45/561749645.db2.gz JHOJBACWBQNOPM-UHFFFAOYSA-N 0 1 508.626 5.926 1 0 KKAFMN CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC(F)(F)F)C(=O)[C@@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966512 561749945 /nfs/dbraw/zinc/74/99/45/561749945.db2.gz UERMDDSMFCIPGD-XMMPIXPASA-N 0 1 521.490 5.132 1 0 KKAFMN CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC(F)(F)F)C(=O)[C@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966508 561749996 /nfs/dbraw/zinc/74/99/96/561749996.db2.gz UERMDDSMFCIPGD-DEOSSOPVSA-N 0 1 521.490 5.132 1 0 KKAFMN Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCN2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000022450331 561759263 /nfs/dbraw/zinc/75/92/63/561759263.db2.gz BRRJNHJWPVIHFG-UHFFFAOYSA-N 0 1 615.888 5.727 1 0 KKAFMN COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)nc4c3)c2cc1OC ZINC000023359481 561762097 /nfs/dbraw/zinc/76/20/97/561762097.db2.gz OGLAJZUWRJDROE-UHFFFAOYSA-N 0 1 560.054 6.330 1 0 KKAFMN CC[C@H](c1ccc(O)c(Br)c1)[C@H](CC)c1cc(Br)c(O)c(Br)c1 ZINC000025966360 561763110 /nfs/dbraw/zinc/76/31/10/561763110.db2.gz CYHLJVJTZORJDH-CHWSQXEVSA-N 0 1 507.060 7.073 1 0 KKAFMN CC[C@@H](c1ccc(O)c(Br)c1)[C@@H](CC)c1cc(Br)c(O)c(Br)c1 ZINC000025966353 561763164 /nfs/dbraw/zinc/76/31/64/561763164.db2.gz CYHLJVJTZORJDH-STQMWFEESA-N 0 1 507.060 7.073 1 0 KKAFMN COc1cc(OC2CCN([C@@H](C)c3cccnc3)CC2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000026248412 561773632 /nfs/dbraw/zinc/77/36/32/561773632.db2.gz KCFRZWANFUYIQH-QHCPKHFHSA-N 0 1 570.690 5.456 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CSC1CCCCC1 ZINC000026275827 561778169 /nfs/dbraw/zinc/77/81/69/561778169.db2.gz ZFLXSLWPWICHNH-RTNMLALUSA-N 0 1 669.933 5.455 1 0 KKAFMN COc1cc(OC2CCN([C@@H]3CCc4ncccc43)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026277358 561778448 /nfs/dbraw/zinc/77/84/48/561778448.db2.gz WKBKYOBZIJPMBM-SSEXGKCCSA-N 0 1 600.691 5.521 1 0 KKAFMN CCCCc1nc2ccccc2n1Cc1ccc(I)c(O)c1I ZINC000026281192 561779008 /nfs/dbraw/zinc/77/90/08/561779008.db2.gz VNAIDXJADKGNQX-UHFFFAOYSA-N 0 1 532.163 5.342 1 0 KKAFMN COC(=O)[C@](CCCN1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026282086 561779098 /nfs/dbraw/zinc/77/90/98/561779098.db2.gz LEPRSEYFDFHJBY-JGCGQSQUSA-N 0 1 565.732 6.029 1 0 KKAFMN NC(N)c1ccc([C@@H](NC(=O)c2ccccc2Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390791 561785777 /nfs/dbraw/zinc/78/57/77/561785777.db2.gz HGGWYECIIAISPG-XIFFEERXSA-N 0 1 579.593 7.175 1 0 KKAFMN CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CCN(C)Cc2ccccc2OC)C1 ZINC000026657580 561809601 /nfs/dbraw/zinc/80/96/01/561809601.db2.gz IDVQINSMOIOUOV-QNGWXLTQSA-N 0 1 698.953 7.332 1 0 KKAFMN COc1ccc(N(C(=O)CN2c3ccccc3N(c3ccccc3)C(=O)[C@](C)(Cc3n[nH]c4ccccc43)C2=O)C(C)C)cc1 ZINC000026579244 561804352 /nfs/dbraw/zinc/80/43/52/561804352.db2.gz HLUCCSPJVQTJTM-PSXMRANNSA-N 0 1 601.707 6.273 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000026642510 561806813 /nfs/dbraw/zinc/80/68/13/561806813.db2.gz AAVVKVVWHPCJSK-WXTZLZKPSA-N 0 1 667.724 7.610 1 0 KKAFMN CN(C[C@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026642871 561806949 /nfs/dbraw/zinc/80/69/49/561806949.db2.gz SZESKYUCLVPQFH-QSSUKDSPSA-N 0 1 591.626 5.943 1 0 KKAFMN C=C1N=C(C)C(C(=O)OCC)[C@@H](c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C1C(=O)OCC ZINC000026840895 561825733 /nfs/dbraw/zinc/82/57/33/561825733.db2.gz QCUCGGLZTFSKRO-IAEPJQJBSA-N 0 1 530.621 6.337 1 0 KKAFMN COc1ccc(S(=O)(=O)n2c(CN[C@@H](C)c3cccc4ccccc43)cc3ccccc32)cc1OC ZINC000026992103 561832585 /nfs/dbraw/zinc/83/25/85/561832585.db2.gz ZIGXCTDJGNJPEL-FQEVSTJZSA-N 0 1 500.620 5.900 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027092488 561837431 /nfs/dbraw/zinc/83/74/31/561837431.db2.gz BQSUSBHVSCBKEG-UHFFFAOYSA-N 0 1 604.769 5.053 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@H](CC(C)(C)C)c2ccccc2)cc1 ZINC000027196067 561844230 /nfs/dbraw/zinc/84/42/30/561844230.db2.gz GQPZSZRJZWLIAV-OSCFFGAZSA-N 0 1 558.675 5.559 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)SCCS3)cc2)cc1 ZINC000027093743 561837713 /nfs/dbraw/zinc/83/77/13/561837713.db2.gz KJJUDKQPANVCQE-UHFFFAOYSA-N 0 1 636.905 6.486 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000027195287 561844270 /nfs/dbraw/zinc/84/42/70/561844270.db2.gz GCISLFODTRCVKS-FLIPHLSNSA-N 0 1 564.638 5.171 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)CCCSc1ccccn1 ZINC000027102501 561839131 /nfs/dbraw/zinc/83/91/31/561839131.db2.gz SQVHGRVONUSHGR-OKDNLZPVSA-N 0 1 692.927 5.357 1 0 KKAFMN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@@](C)(CCS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027106537 561840287 /nfs/dbraw/zinc/84/02/87/561840287.db2.gz VEFHCOLQNWCREK-XIFFEERXSA-N 0 1 562.776 6.322 1 0 KKAFMN CCNc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027191168 561843514 /nfs/dbraw/zinc/84/35/14/561843514.db2.gz SXLJHKWLMOZNAE-UHFFFAOYSA-N 0 1 622.741 7.271 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@H](c2ccccc2)c2cc(C)ccc2C)cc1 ZINC000027194694 561844073 /nfs/dbraw/zinc/84/40/73/561844073.db2.gz YJMPVDOQESXRRN-DSHBGMKMSA-N 0 1 592.692 5.788 1 0 KKAFMN 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531.434 6.780 1 0 KKAFMN O=S(=O)(Nc1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccccc1 ZINC000027847914 561885656 /nfs/dbraw/zinc/88/56/56/561885656.db2.gz MHHVHHXUMOLHOJ-NRFANRHFSA-N 0 1 563.529 5.093 1 0 KKAFMN CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015026 561897125 /nfs/dbraw/zinc/89/71/25/561897125.db2.gz DWPMZRNGNHVNJD-LEFKNYOOSA-N 0 1 576.757 5.733 1 0 KKAFMN CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015026 561897128 /nfs/dbraw/zinc/89/71/28/561897128.db2.gz DWPMZRNGNHVNJD-LEFKNYOOSA-N 0 1 576.757 5.733 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@](C)(C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015967 561897261 /nfs/dbraw/zinc/89/72/61/561897261.db2.gz VNPRRWYEJITHNB-LKQHQURMSA-N 0 1 560.758 6.027 1 0 KKAFMN CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@](C)(C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015967 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CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028092321 561900119 /nfs/dbraw/zinc/90/01/19/561900119.db2.gz RYJRZGRSMBZHTK-NXLXXTAESA-N 0 1 726.959 7.394 1 0 KKAFMN CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028092321 561900120 /nfs/dbraw/zinc/90/01/20/561900120.db2.gz RYJRZGRSMBZHTK-NXLXXTAESA-N 0 1 726.959 7.394 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCCCC(C)C ZINC000028100860 561901541 /nfs/dbraw/zinc/90/15/41/561901541.db2.gz YKFUOMURKPODMI-FMGHJNRGSA-N 0 1 502.696 5.529 1 0 KKAFMN COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028242487 561910639 /nfs/dbraw/zinc/91/06/39/561910639.db2.gz JPEORAAWSUPLJL-UHFFFAOYSA-N 0 1 644.143 7.501 1 0 KKAFMN CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2C[C@@H](O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000028341066 561914055 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COc1cccc(OC)c1CC(=O)N1CC[C@H](C)c2cccc(CCN3CCN(c4nsc5ccccc54)CC3)c21 ZINC000028527655 561932577 /nfs/dbraw/zinc/93/25/77/561932577.db2.gz HWPIJKYZIWLKPB-QHCPKHFHSA-N 0 1 570.759 5.761 1 0 KKAFMN COc1cc2c(cc1N1C[C@@H](C)N(C)[C@@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2 ZINC000028522555 561929541 /nfs/dbraw/zinc/92/95/41/561929541.db2.gz MVOJJKZIKGYDLT-ZRZAMGCNSA-N 0 1 520.677 5.951 1 0 KKAFMN COc1ccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6ccc(OC)cc6[nH]5)cc4)cc3)nc2c1 ZINC000028563985 561935509 /nfs/dbraw/zinc/93/55/09/561935509.db2.gz VMAXGTHJMKBXTH-UHFFFAOYSA-N 0 1 504.550 6.434 1 0 KKAFMN Cc1ccccc1-c1ccc(N2CCN(C)CC2)nc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028571507 561939411 /nfs/dbraw/zinc/93/94/11/561939411.db2.gz ANPYOUVKUYVENR-UHFFFAOYSA-N 0 1 578.601 6.787 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(=O)c2c(O)cc(-c3ccccc3Cl)oc1-2 ZINC000028640445 561942919 /nfs/dbraw/zinc/94/29/19/561942919.db2.gz CVJQADWAPLLQLW-NRFANRHFSA-N 0 1 534.996 5.894 1 0 KKAFMN O=C1Cc2c(-c3ccccc3)cc(-c3cccc(Cl)c3)nc2-c2ccc(OCCCCN3CCOCC3)cc2N1 ZINC000028704139 561948407 /nfs/dbraw/zinc/94/84/07/561948407.db2.gz SCCNLKYWLDDUCP-UHFFFAOYSA-N 0 1 554.090 6.722 1 0 KKAFMN Cc1cc(Nc2ncnc3cnc(N4CCN(C)CC4)cc32)ccc1Oc1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000028706430 561949756 /nfs/dbraw/zinc/94/97/56/561949756.db2.gz ZNIHSZIOJYSEMQ-UHFFFAOYSA-N 0 1 539.684 5.397 1 0 KKAFMN C[C@@H]1CN(CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816501 561964210 /nfs/dbraw/zinc/96/42/10/561964210.db2.gz ZVFYYUNCJRTCOQ-RMXYQJDTSA-N 0 1 546.133 5.177 1 0 KKAFMN O=C(CCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)NCc1ccc(CN2CCOCCOCCOCCOCC2)cc1 ZINC000028817790 561965022 /nfs/dbraw/zinc/96/50/22/561965022.db2.gz GIYGBDWUUSEAGG-UHFFFAOYSA-N 0 1 659.771 5.897 1 0 KKAFMN C[C@@H](N[C@@H](c1cc(-c2nnc([C@](C)(N)Cc3ccc(F)cc3)o2)cc(N(C)S(C)(=O)=O)c1)C(F)(F)F)c1ccc(F)cc1 ZINC000028824390 561969547 /nfs/dbraw/zinc/96/95/47/561969547.db2.gz PAWUWEMCXDNURH-ROEPYBMUSA-N 0 1 623.648 5.781 1 0 KKAFMN CC(C)(C)CC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 ZINC000028826515 561971382 /nfs/dbraw/zinc/97/13/82/561971382.db2.gz GGZLXDQZCPDNHC-UHFFFAOYSA-N 0 1 609.211 5.350 1 0 KKAFMN CC(C)N1CCN(C(=O)OC2([C@@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879666 561976399 /nfs/dbraw/zinc/97/63/99/561976399.db2.gz QRUVSTZLYGAOFS-UIOOFZCWSA-N 0 1 582.113 5.598 1 0 KKAFMN CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(C)C[C@H](C)c3ccco3)sc21 ZINC000028901683 561980055 /nfs/dbraw/zinc/98/00/55/561980055.db2.gz UNYJGAONQYGWJT-SFHVURJKSA-N 0 1 512.075 5.885 1 0 KKAFMN FC(F)(F)c1ccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccccc2)cc1 ZINC000028953835 561982598 /nfs/dbraw/zinc/98/25/98/561982598.db2.gz VCVGVKFIQIWAMK-UHFFFAOYSA-N 0 1 517.477 6.503 1 0 KKAFMN O=C(CCc1ccccc1)N[C@@H]1CCc2ccc(CCN3CCN(c4nsc5ccccc54)CC3)cc21 ZINC000029038665 561989082 /nfs/dbraw/zinc/98/90/82/561989082.db2.gz WLZVXPFXXASTLW-MUUNZHRXSA-N 0 1 510.707 5.397 1 0 KKAFMN O=C(N[C@H]1CCc2cc(CCN3CCN(c4nsc5ccccc54)CC3)ccc21)c1ccc(F)cc1 ZINC000029038752 561989283 /nfs/dbraw/zinc/98/92/83/561989283.db2.gz PHCUGENQVJPTLC-SANMLTNESA-N 0 1 500.643 5.217 1 0 KKAFMN NC(=O)c1cccc(Nc2nccc(-c3nc(C4CC4)[nH]c3-c3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)n2)c1 ZINC000029042572 561991621 /nfs/dbraw/zinc/99/16/21/561991621.db2.gz SJDILUBLGOUKNA-UHFFFAOYSA-N 0 1 633.034 7.570 1 0 KKAFMN O=C(N[C@@H]1CCc2ccc(CCN3CCN(c4nsc5ccccc54)CC3)cc21)c1ccc(F)cc1 ZINC000029038627 561989099 /nfs/dbraw/zinc/98/90/99/561989099.db2.gz ZBUMCITULAAXBQ-AREMUKBSSA-N 0 1 500.643 5.217 1 0 KKAFMN C[C@H]1C[N@@H+](C[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000029126310 561998541 /nfs/dbraw/zinc/99/85/41/561998541.db2.gz GIPDHXNINYPYMG-YHCKDDSDSA-N 0 1 590.764 6.330 1 0 KKAFMN C[C@H]1C[N@@H+](CCC(=O)N(c2ccccc2)[C@@H](Cc2ccccc2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000029126476 561998684 /nfs/dbraw/zinc/99/86/84/561998684.db2.gz LZPSGESQYZAVOM-LAJKQIPCSA-N 0 1 500.639 5.111 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(C(C)(C)C)oc5cc4CC3)n2C)n1 ZINC000029127367 561999890 /nfs/dbraw/zinc/99/98/90/561999890.db2.gz IOJIPFCHEXMFMJ-UHFFFAOYSA-N 0 1 540.737 6.360 1 0 KKAFMN [NH3+]CCc1c2ccc(Br)cc2[nH]c1[C@@H](c1c[nH]c2ccccc21)c1[nH]c2cc(Br)ccc2c1CC[N-]C(=O)C(F)(F)F ZINC000029127846 562000314 /nfs/dbraw/zinc/00/03/14/562000314.db2.gz YZRDPNPPJTVMET-HHHXNRCGSA-N 0 1 701.385 7.558 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 ZINC000029222860 562007471 /nfs/dbraw/zinc/00/74/71/562007471.db2.gz CMXGMUBAOOUNAI-NDEPHWFRSA-N 0 1 639.656 5.288 1 0 KKAFMN Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)[C@@H](c1cccc(Cl)c1)SCC(=O)N2C ZINC000029330483 562013830 /nfs/dbraw/zinc/01/38/30/562013830.db2.gz WVXGQIOPZMEAOO-SXOMAYOGSA-N 0 1 523.489 5.777 1 0 KKAFMN Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)[C@H](c1cccc(Cl)c1)SCC(=O)N2C ZINC000029330478 562013834 /nfs/dbraw/zinc/01/38/34/562013834.db2.gz WVXGQIOPZMEAOO-SVBPBHIXSA-N 0 1 523.489 5.777 1 0 KKAFMN CN(C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1)[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C ZINC000029347144 562016467 /nfs/dbraw/zinc/01/64/67/562016467.db2.gz AQSULLWEJRPAKF-JWPIOKHMSA-N 0 1 697.965 6.187 1 0 KKAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1Br ZINC000029406664 562020837 /nfs/dbraw/zinc/02/08/37/562020837.db2.gz VANYAUBXJRJUTH-UHFFFAOYSA-N 0 1 518.414 5.527 1 0 KKAFMN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](/C=C/[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029466634 562024462 /nfs/dbraw/zinc/02/44/62/562024462.db2.gz MRONPHMQIPIYRP-NTHYAODUSA-N 0 1 724.002 5.103 1 0 KKAFMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000029483519 562027865 /nfs/dbraw/zinc/02/78/65/562027865.db2.gz QKIXWDUWIQVUPK-ZPGRZCPFSA-N 0 1 626.886 5.911 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)N(C(=O)C[C@@H](O)C(=O)[O-])C3=O)cc1)C(C)(C)O2 ZINC000029564059 562033934 /nfs/dbraw/zinc/03/39/34/562033934.db2.gz YDSUCOXLALPVPE-DMULDVAQSA-N 0 1 728.864 6.387 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000029569164 562035162 /nfs/dbraw/zinc/03/51/62/562035162.db2.gz GFBRQRSYEDUWJZ-XIFFEERXSA-N 0 1 606.773 6.692 1 0 KKAFMN CCN1CC[C@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000031871333 562036621 /nfs/dbraw/zinc/03/66/21/562036621.db2.gz HKSABFMJANGSMM-CWTKIQHKSA-N 0 1 521.657 7.300 1 0 KKAFMN CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O ZINC000034315725 562038695 /nfs/dbraw/zinc/03/86/95/562038695.db2.gz ZQTRWSUPLBZZJQ-GDLZYMKVSA-N 0 1 511.666 5.387 1 0 KKAFMN CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc2ncn(Cc3cc(F)ccc3F)c2c(Br)c1 ZINC000034803957 562042840 /nfs/dbraw/zinc/04/28/40/562042840.db2.gz HEZXZGJJNMPIJM-UHFFFAOYSA-N 0 1 557.467 5.026 1 0 in-vitro KKAFMN Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)ccc21 ZINC000034983916 562044196 /nfs/dbraw/zinc/04/41/96/562044196.db2.gz SCUGTCMSRMQNNQ-UHFFFAOYSA-N 0 1 506.532 7.211 1 0 KKAFMN CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc2ncn(Cc3c(Cl)cccc3Cl)c2c(Br)c1 ZINC000036330276 562055479 /nfs/dbraw/zinc/05/54/79/562055479.db2.gz GVTLGCWKXNCALF-UHFFFAOYSA-N 0 1 590.377 6.054 1 0 KKAFMN CN1CCN(Cc2cnc3c(cccc3Cn3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)c2)CC1 ZINC000036351725 562059205 /nfs/dbraw/zinc/05/92/05/562059205.db2.gz VFDUOJZCECYJQM-UHFFFAOYSA-N 0 1 516.070 5.122 1 0 KKAFMN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN4CCN(C)CC4)cc3)n2)c(OC)c1 ZINC000036758573 562061492 /nfs/dbraw/zinc/06/14/92/562061492.db2.gz PELUCDAGCYAICS-UHFFFAOYSA-N 0 1 612.731 5.818 1 0 KKAFMN CCN1CCN(Cc2ccc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3n2)CC1 ZINC000038149728 562066111 /nfs/dbraw/zinc/06/61/11/562066111.db2.gz IPWYSBUTKATQSJ-UHFFFAOYSA-N 0 1 516.070 5.453 1 0 KKAFMN COC(=O)c1cnc(N2CCN(c3nc4cc(C(F)(F)F)cc(-c5cc(F)c(F)c(F)c5)c4[nH]3)[C@H](C)C2)c(Cl)c1 ZINC000038157610 562069221 /nfs/dbraw/zinc/06/92/21/562069221.db2.gz KDNSEVMHCTWZMI-GFCCVEGCSA-N 0 1 583.920 6.216 1 0 KKAFMN O=C(O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000040380299 562073451 /nfs/dbraw/zinc/07/34/51/562073451.db2.gz IADMULLWDVKTFY-AVWDPNAHSA-N 0 1 529.684 6.351 1 0 KKAFMN COC(=O)[C@@](CCCN1CCN(Cc2ccccc2F)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040394445 562074182 /nfs/dbraw/zinc/07/41/82/562074182.db2.gz TZOXLDGQHYFMCA-AREMUKBSSA-N 0 1 505.472 5.253 1 0 KKAFMN COc1cc2c(cc1OC)[C@@H](c1ccccc1NCCOc1ccccc1)N(CCOc1ccccc1)CC2 ZINC000040894608 562082984 /nfs/dbraw/zinc/08/29/84/562082984.db2.gz YVKMEOMVEXNHNK-MGBGTMOVSA-N 0 1 524.661 6.221 1 0 KKAFMN COc1c(C)cnc(CSc2nc3cc(-c4ccc5nc(SCc6ncc(C)c(OC)c6C)[nH]c5c4)ccc3[nH]2)c1C ZINC000042805166 562089062 /nfs/dbraw/zinc/08/90/62/562089062.db2.gz OXSJVYGSJWKPOG-UHFFFAOYSA-N 0 1 596.782 7.732 1 0 KKAFMN C[C@H](NC(=O)c1ccc([C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Br)cc1 ZINC000043080633 562645843 /nfs/dbraw/zinc/64/58/43/562645843.db2.gz QGAXFYZQEFFPKG-SFTDATJTSA-N 0 1 550.497 5.548 1 0 KKAFMN C[C@H]1CN(CC2CC2)CCN1C(=O)OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044087062 562652295 /nfs/dbraw/zinc/65/22/95/562652295.db2.gz ZIDJCKAKCGREPA-UASRBLEQSA-N 0 1 608.151 5.988 1 0 KKAFMN CC(C)=CCC/C(C)=C/Cc1c2c(c(=O)c3c(O)c4c(oc1-3)-c1c3c(c(O)cc1O)OC(C)(C)[C@H]3C4)C=CC(C)(C)O2 ZINC000044280727 562652930 /nfs/dbraw/zinc/65/29/30/562652930.db2.gz QBDLPAZRIQKEQK-VLBBBODESA-N 0 1 570.682 7.807 1 0 biogenic,in-vitro KKAFMN COc1ccc(C(OCCNCc2c(F)cc(F)c(O)c2F)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000044418554 562657300 /nfs/dbraw/zinc/65/73/00/562657300.db2.gz FLIZTQMKECDUSC-UHFFFAOYSA-N 0 1 553.577 5.934 1 0 KKAFMN CS(=O)(=O)CCNCc1cc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)cs1 ZINC000044430703 562657660 /nfs/dbraw/zinc/65/76/60/562657660.db2.gz NXPQOKLTKBGJEH-UHFFFAOYSA-N 0 1 603.166 6.669 1 0 KKAFMN CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000045194266 562658804 /nfs/dbraw/zinc/65/88/04/562658804.db2.gz QVFBRZNXSZJTBZ-UHFFFAOYSA-N 0 1 520.743 5.199 1 0 KKAFMN C[C@H](CCCCCC[C@@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3)C(=O)[O-] ZINC000045245916 562659751 /nfs/dbraw/zinc/65/97/51/562659751.db2.gz COZHNMYHYJDWAU-NWSZGVDVSA-N 0 1 523.758 7.148 1 0 KKAFMN CC[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N3CCN([C@H](C)c4ccccc4)CC3)c2C1=O ZINC000045245327 562659761 /nfs/dbraw/zinc/65/97/61/562659761.db2.gz JGIWRIFEXHLPDP-BWKNWUBXSA-N 0 1 513.638 5.334 1 0 KKAFMN COc1ccc(NC(=O)c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)cc1N1CCN(C)CC1 ZINC000045323549 562661177 /nfs/dbraw/zinc/66/11/77/562661177.db2.gz BRIPIFQESGYWRA-UHFFFAOYSA-N 0 1 507.634 5.945 1 0 KKAFMN CCc1ccccc1N1CCN(CCCC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000045335219 562661332 /nfs/dbraw/zinc/66/13/32/562661332.db2.gz KQQQMCVSAGWUIT-UHFFFAOYSA-N 0 1 524.492 6.593 1 0 KKAFMN CC(C)(C[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045335870 562661386 /nfs/dbraw/zinc/66/13/86/562661386.db2.gz HDZBPHRBCSQKJA-UHFFFAOYSA-N 0 1 516.951 6.464 1 0 KKAFMN CC(C)(C[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000045335870 562661385 /nfs/dbraw/zinc/66/13/85/562661385.db2.gz HDZBPHRBCSQKJA-UHFFFAOYSA-N 0 1 516.951 6.464 1 0 KKAFMN Cc1nc(C)c(CC(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)s1 ZINC000045335882 562661412 /nfs/dbraw/zinc/66/14/12/562661412.db2.gz PVQGQPLKNLQXHD-UHFFFAOYSA-N 0 1 506.553 7.170 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc(-c2ccccc2)n1N1CCCCC1 ZINC000049032998 562663425 /nfs/dbraw/zinc/66/34/25/562663425.db2.gz LFTMQJKIJXUZLM-UHFFFAOYSA-N 0 1 520.121 5.181 1 0 KKAFMN CCCCN(Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000049051180 562663795 /nfs/dbraw/zinc/66/37/95/562663795.db2.gz UHKJTWIDEKDMCF-UHFFFAOYSA-N 0 1 503.012 7.525 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc(-c2ccccc2)n1CC1CCCCC1 ZINC000049089224 562664404 /nfs/dbraw/zinc/66/44/04/562664404.db2.gz KZWBOSLLKMNBLJ-UHFFFAOYSA-N 0 1 533.160 6.639 1 0 KKAFMN O=C(Cc1ccccc1)N[C@H](CCN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049605479 562665987 /nfs/dbraw/zinc/66/59/87/562665987.db2.gz LYKHJUMUTTZIMQ-SSEXGKCCSA-N 0 1 668.609 7.120 1 0 KKAFMN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049679217 562668811 /nfs/dbraw/zinc/66/88/11/562668811.db2.gz YIYLAYRSJCHOLQ-UHFFFAOYSA-N 0 1 608.401 7.126 1 0 KKAFMN O=C([O-])Cc1ccc2oc(CC[N@H+](Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cc2c1 ZINC000049695242 562670315 /nfs/dbraw/zinc/67/03/15/562670315.db2.gz AANMNNSUDXTLGF-UHFFFAOYSA-N 0 1 592.057 8.609 1 0 KKAFMN CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3)C(=O)[O-] ZINC000049695315 562670431 /nfs/dbraw/zinc/67/04/31/562670431.db2.gz YRNGHDGAXGHHKC-UNPBUSPFSA-N 0 1 551.812 7.928 1 0 KKAFMN O=C(Nc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000049722598 562672266 /nfs/dbraw/zinc/67/22/66/562672266.db2.gz QBCBCLXHVIYSNK-ZJJOJAIXSA-N 0 1 644.728 5.594 1 0 KKAFMN C[C@@H](CCOc1cccc(CC(=O)[O-])c1)[N@H+](Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000049723210 562673055 /nfs/dbraw/zinc/67/30/55/562673055.db2.gz ZLJZDYOBXVOTSA-DEOSSOPVSA-N 0 1 596.089 8.478 1 0 KKAFMN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2cccc(OCC(=O)Nc3ccccc3)c2)CC1 ZINC000049744861 562673549 /nfs/dbraw/zinc/67/35/49/562673549.db2.gz GMOBBLGYRZZKCX-PONGOVJZSA-N 0 1 662.618 6.364 1 0 KKAFMN COc1ccc(C(=O)NCC(C)(C)c2nc(-c3ccc(Cl)c([O-])c3)c(-c3ccncc3)[nH]2)cc1OCC[NH+](C(C)C)C(C)C ZINC000049745433 562673855 /nfs/dbraw/zinc/67/38/55/562673855.db2.gz VZAASWLJBLSEAL-UHFFFAOYSA-N 0 1 620.194 6.712 1 0 KKAFMN COc1ccc(C(=O)NCC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c([O-])c3)[nH]2)cc1OCC[NH+](C(C)C)C(C)C ZINC000049745433 562673856 /nfs/dbraw/zinc/67/38/56/562673856.db2.gz VZAASWLJBLSEAL-UHFFFAOYSA-N 0 1 620.194 6.712 1 0 KKAFMN CN1CCC[C@H]1COc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049745521 562673884 /nfs/dbraw/zinc/67/38/84/562673884.db2.gz FINDMJQRIKOCHP-OALUTQOASA-N 0 1 541.317 5.233 1 0 KKAFMN COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000049746608 562674484 /nfs/dbraw/zinc/67/44/84/562674484.db2.gz MRFCEJIBWSAONR-UHFFFAOYSA-N 0 1 554.613 5.299 1 0 KKAFMN Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049756000 562674778 /nfs/dbraw/zinc/67/47/78/562674778.db2.gz NPQDMKARJBIVOT-UHFFFAOYSA-N 0 1 536.489 5.786 1 0 KKAFMN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3O)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049756158 562674850 /nfs/dbraw/zinc/67/48/50/562674850.db2.gz DPYASQWYHILTBI-UHFFFAOYSA-N 0 1 556.692 5.381 1 0 KKAFMN COc1ccc2nc(-c3ccc(Nc4ncnc5cc(OCCC[NH+]6CCN(C)CC6)c(OC)cc54)cc3)sc2c1 ZINC000049756419 562674987 /nfs/dbraw/zinc/67/49/87/562674987.db2.gz MOQBNQNUPNPLCH-UHFFFAOYSA-N 0 1 570.719 5.684 1 0 KKAFMN CN(C(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CCN(C)CC5)c4)cnn3c2N)cc1)C1CCCCC1 ZINC000049775638 562679177 /nfs/dbraw/zinc/67/91/77/562679177.db2.gz NXCRYXWTLYEUAS-UHFFFAOYSA-N 0 1 538.700 5.194 1 0 KKAFMN COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3ccccc3NCc3ccc4ccccc4c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777222 562679764 /nfs/dbraw/zinc/67/97/64/562679764.db2.gz APBCFIJUCKFARF-YTTGMZPUSA-N 0 1 659.831 6.788 1 0 KKAFMN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(c5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777428 562680026 /nfs/dbraw/zinc/68/00/26/562680026.db2.gz RLYGGUMVKCBVKA-PMERELPUSA-N 0 1 609.840 5.977 1 0 KKAFMN CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nc5ccccc5n4-c4cc(N)ncn4)c3)cc2Cl)CC1 ZINC000049777600 562680292 /nfs/dbraw/zinc/68/02/92/562680292.db2.gz KXTIIOOGQPWWGE-UHFFFAOYSA-N 0 1 596.139 5.493 1 0 KKAFMN CN(Cc1c(-c2ccc(NC(=O)NCc3ccccc3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000049780040 562681270 /nfs/dbraw/zinc/68/12/70/562681270.db2.gz POAHYXZXLSZBDG-UHFFFAOYSA-N 0 1 727.837 8.161 1 0 KKAFMN CCCC[C@H](CC)C(O)=C(NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC ZINC000049780200 562681444 /nfs/dbraw/zinc/68/14/44/562681444.db2.gz CQEARRKWGBDBGO-SUXPEFEVSA-N 0 1 660.877 7.048 1 0 KKAFMN COc1cc(C(=O)N2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000049780284 562681600 /nfs/dbraw/zinc/68/16/00/562681600.db2.gz PVRUBEUPMQSJRW-UHFFFAOYSA-N 0 1 552.662 6.141 1 0 KKAFMN CCN1CCN(c2cc(C(=O)Nc3ccc(C)c(Nc4nc5ccccc5n4-c4cc(N)ncn4)c3)cc(C(F)(F)F)c2)CC1 ZINC000049780501 562681808 /nfs/dbraw/zinc/68/18/08/562681808.db2.gz HTEUQPWFMDGLKN-UHFFFAOYSA-N 0 1 615.664 5.863 1 0 KKAFMN CS(=O)(=O)CCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)cc1 ZINC000049793369 562684752 /nfs/dbraw/zinc/68/47/52/562684752.db2.gz CIGNUCKEHATOKY-UHFFFAOYSA-N 0 1 709.747 7.486 1 0 KKAFMN CCN1C(N2CCCCC2)=[NH+]c2ccccc2[C@@H]1CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000049867401 562689476 /nfs/dbraw/zinc/68/94/76/562689476.db2.gz PEIFDCMYVCGNKX-NDEPHWFRSA-N 0 1 563.699 5.183 1 0 in-vivo KKAFMN CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC(C)C)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000049867726 562689602 /nfs/dbraw/zinc/68/96/02/562689602.db2.gz AKDBQZUOKGFQSF-ILJQZKEFSA-N 0 1 559.820 6.691 1 0 KKAFMN CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2C[N@H+]([C@H](CC(C)C)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000049867726 562689603 /nfs/dbraw/zinc/68/96/03/562689603.db2.gz AKDBQZUOKGFQSF-ILJQZKEFSA-N 0 1 559.820 6.691 1 0 KKAFMN CC(C)(C)OC(=O)NCCCCCN=C1Nc2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccccc1 ZINC000049867732 562689613 /nfs/dbraw/zinc/68/96/13/562689613.db2.gz VEEAJIJNOVSTTJ-GDLZYMKVSA-N 0 1 555.723 6.227 1 0 KKAFMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCS(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898557 562692629 /nfs/dbraw/zinc/69/26/29/562692629.db2.gz LKHXERLHWRRRTM-QRRGNZNSSA-N 0 1 726.383 8.531 1 0 KKAFMN C[C@@H]1CCC[N@H+]1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898814 562692864 /nfs/dbraw/zinc/69/28/64/562692864.db2.gz QMRCDMLDODYQSL-MUUNZHRXSA-N 0 1 700.301 7.198 1 0 KKAFMN C[C@H]1CCC[N@H+]1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898815 562692887 /nfs/dbraw/zinc/69/28/87/562692887.db2.gz QMRCDMLDODYQSL-NDEPHWFRSA-N 0 1 700.301 7.198 1 0 KKAFMN COc1ccc(NC(=O)N2CCN(CCCCCNC(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC000049917808 562693960 /nfs/dbraw/zinc/69/39/60/562693960.db2.gz CUJVNLDKZQXMNZ-KPKJPENVSA-N 0 1 553.025 5.517 1 0 KKAFMN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000053059276 562696196 /nfs/dbraw/zinc/69/61/96/562696196.db2.gz YMZHRXONGJQIMG-UHFFFAOYSA-N 0 1 589.622 5.804 1 0 KKAFMN CCCN(c1cccnc1)C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000053204605 562696454 /nfs/dbraw/zinc/69/64/54/562696454.db2.gz CJOPYFQSLHCHSZ-LXLYTFERSA-N 0 1 518.746 5.512 1 0 KKAFMN CCCN(c1cccnc1)C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000053204605 562696455 /nfs/dbraw/zinc/69/64/55/562696455.db2.gz CJOPYFQSLHCHSZ-LXLYTFERSA-N 0 1 518.746 5.512 1 0 KKAFMN C[C@@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058498817 562698246 /nfs/dbraw/zinc/69/82/46/562698246.db2.gz FZYZAZVPXUZVPL-PGPLVTSKSA-N 0 1 530.112 5.657 1 0 KKAFMN Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3cncc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O ZINC000058548709 562699134 /nfs/dbraw/zinc/69/91/34/562699134.db2.gz UUSUCXDJVSXCBL-UHFFFAOYSA-N 0 1 663.581 5.667 1 0 in-vitro KKAFMN CN1CC(=Cc2ccc(Br)cc2)C2=NC(=S)N[C@@H](c3ccc(Br)cc3)C2C1 ZINC000059316065 562701965 /nfs/dbraw/zinc/70/19/65/562701965.db2.gz APLLUVWRENDFQK-XATQLNLPSA-N 0 1 505.279 5.014 1 0 KKAFMN Cn1c(Nc2cccc(C(F)(F)F)c2)nc2cc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)ccc21 ZINC000059767145 562702196 /nfs/dbraw/zinc/70/21/96/562702196.db2.gz DVJYMPYLFMEZMR-UHFFFAOYSA-N 0 1 518.421 6.932 1 0 KKAFMN S=C(NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1)NCc1ccc2nc[nH]c2c1 ZINC000064622084 562708823 /nfs/dbraw/zinc/70/88/23/562708823.db2.gz BQFDRFXGNLDIJB-UHFFFAOYSA-N 0 1 543.922 5.435 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000064622675 562708884 /nfs/dbraw/zinc/70/88/84/562708884.db2.gz DWBBIMOOPOSMMP-WAPJKPAKSA-N 0 1 617.549 6.058 3 0 KKAFMN O=C(CN1CCCC1)Nc1ccc(C(c2ccc(NC(=O)CN3CCCC3)cc2)C2CCCCCC2)cc1 ZINC000066066562 562709446 /nfs/dbraw/zinc/70/94/46/562709446.db2.gz IEKLJYUVBHJITM-UHFFFAOYSA-N 0 1 516.730 5.858 1 0 KKAFMN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3C(F)(F)F)ncc2Cl)c1 ZINC000066102465 562711460 /nfs/dbraw/zinc/71/14/60/562711460.db2.gz BJAFEGHEWRKAGM-UHFFFAOYSA-N 0 1 532.954 5.561 1 0 KKAFMN COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)c4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)c2N)cc1 ZINC000066103017 562711536 /nfs/dbraw/zinc/71/15/36/562711536.db2.gz RJUIPSHAQLVWNM-UHFFFAOYSA-N 0 1 621.664 5.106 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCC(F)(F)F)cccc2C1=O ZINC000066136378 562713084 /nfs/dbraw/zinc/71/30/84/562713084.db2.gz FUJCODGQRRJPPD-YGKZAACZSA-N 0 1 590.470 5.627 3 0 KKAFMN O=C(NCc1nn[nH]n1)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000066258924 562715104 /nfs/dbraw/zinc/71/51/04/562715104.db2.gz NCKNXZMACSRNIH-UHFFFAOYSA-N 0 1 588.377 5.914 1 0 KKAFMN CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198776 562715959 /nfs/dbraw/zinc/71/59/59/562715959.db2.gz TZVXNNVFMGZHLT-QWIPUYGYSA-N 0 1 525.637 5.259 1 0 KKAFMN C[S@](=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000068251019 562716275 /nfs/dbraw/zinc/71/62/75/562716275.db2.gz OAMVGUFHZPRXOM-LDLOPFEMSA-N 0 1 565.070 6.473 1 0 KKAFMN C[S@@](=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000068251015 562716308 /nfs/dbraw/zinc/71/63/08/562716308.db2.gz OAMVGUFHZPRXOM-KDXMTYKHSA-N 0 1 565.070 6.473 1 0 KKAFMN CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(C(F)(F)F)c4)CC3)sc21 ZINC000071318577 562718581 /nfs/dbraw/zinc/71/85/81/562718581.db2.gz OMVHCFMRXIFNMI-UHFFFAOYSA-N 0 1 534.604 5.547 1 0 KKAFMN Cc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000071340815 562719839 /nfs/dbraw/zinc/71/98/39/562719839.db2.gz GBQLALWRLHAJHT-WWFXOLRUSA-N 0 1 537.063 6.731 1 0 KKAFMN Cc1c(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1-c1ccc2c(c1)OCCO2 ZINC000072104701 562720635 /nfs/dbraw/zinc/72/06/35/562720635.db2.gz AUEFNYUPUFEFKV-UHFFFAOYSA-N 0 1 565.718 5.178 1 0 KKAFMN COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CN2CCCCC2)c(OC(C)C)c1 ZINC000072113430 562722363 /nfs/dbraw/zinc/72/23/63/562722363.db2.gz GYKYDSMPLXRLJJ-CONSDPRKSA-N 0 1 580.556 7.347 1 0 KKAFMN C[C@@H]([NH2+][C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1)[C@H](O)c1ccccc1 ZINC000072126793 562725353 /nfs/dbraw/zinc/72/53/53/562725353.db2.gz CWZXBJMDDIOGRX-YBBGPBPVSA-N 0 1 651.776 7.939 1 0 KKAFMN CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1 ZINC000072126771 562725374 /nfs/dbraw/zinc/72/53/74/562725374.db2.gz NBCAOCVSBZCMGG-PDHQKIGBSA-N 0 1 718.339 5.369 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000072134949 562727420 /nfs/dbraw/zinc/72/74/20/562727420.db2.gz PLXZFLBPNWRZHQ-FVBCXUTKSA-N 0 1 619.809 5.568 3 0 KKAFMN O=C(N[C@H](c1ccccc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072139366 562728889 /nfs/dbraw/zinc/72/88/89/562728889.db2.gz DLDMNWMLAYLBII-GDLZYMKVSA-N 0 1 534.487 6.538 3 0 KKAFMN COc1c(C)cnc(C[S@@](=O)c2nc3cc(NC(=O)c4ccco4)c(Oc4ccccc4)cc3[nH]2)c1C ZINC000072174694 562731137 /nfs/dbraw/zinc/73/11/37/562731137.db2.gz OACBBNYUHLVUOC-QNGWXLTQSA-N 0 1 516.579 5.529 1 0 KKAFMN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000073170096 562734904 /nfs/dbraw/zinc/73/49/04/562734904.db2.gz QWXMZVFLKUQTRP-WJOKGBTCSA-N 0 1 570.680 5.927 1 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2ccc(CCNC(=O)c3ccc(O)c4nc(-c5ccc(F)cc5)[nH]c43)cc2)cc1 ZINC000073280101 562737420 /nfs/dbraw/zinc/73/74/20/562737420.db2.gz KTMJNXVUTAIOBB-UHFFFAOYSA-N 0 1 544.608 5.156 1 0 KKAFMN COc1ccc2nc([C@H](c3ccc(C)cc3)n3c4ccccc4nc3-c3ccccc3Br)[nH]c2c1 ZINC000073369735 562738398 /nfs/dbraw/zinc/73/83/98/562738398.db2.gz DAMJKVXRNRCOKA-MHZLTWQESA-N 0 1 523.434 7.297 3 0 KKAFMN Cc1nc(Oc2ccc(CC(=O)NC(C)C)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136642 562738989 /nfs/dbraw/zinc/73/89/89/562738989.db2.gz JSGGZDCNIKOIQC-DHUJRADRSA-N 0 1 696.799 6.274 1 0 KKAFMN Cc1cc(NC(=O)N(c2cccc(F)c2)C2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3C)CC2)cnc1C(N)=O ZINC000082138055 562739139 /nfs/dbraw/zinc/73/91/39/562739139.db2.gz NILDQHLXZPEZHS-UHFFFAOYSA-N 0 1 661.760 5.198 1 0 KKAFMN Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(Cc2ccccc2F)C(=O)Nc2cc(C(N)=O)c(F)cc2F)CC1 ZINC000082138087 562739190 /nfs/dbraw/zinc/73/91/90/562739190.db2.gz QANAVHYSZWKRTD-UHFFFAOYSA-N 0 1 696.752 5.769 1 0 KKAFMN CC(C)Cc1ccc([C@H](C)C(=O)OCCCO[P@@](=O)(COCCn2cnc3c2ncnc3N)OCCCSC(=O)[C@@H](N)C(C)C)cc1 ZINC000082140225 562739356 /nfs/dbraw/zinc/73/93/56/562739356.db2.gz HJYICCQACOCTRF-XNJLXZFGSA-N 0 1 692.820 5.178 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000082140241 562739384 /nfs/dbraw/zinc/73/93/84/562739384.db2.gz RTTAIAHOSBNNAG-UGPXBYQESA-N 0 1 706.847 5.568 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000082140235 562739415 /nfs/dbraw/zinc/73/94/15/562739415.db2.gz RTTAIAHOSBNNAG-RWZIJFFTSA-N 0 1 706.847 5.568 1 0 KKAFMN CC(C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140457 562739477 /nfs/dbraw/zinc/73/94/77/562739477.db2.gz NCLGXQKSEWVACV-LXAAXOQISA-N 0 1 740.820 5.210 1 0 KKAFMN COc1cc(-n2c(-c3ccc(S(=O)(=O)c4ccc(Br)cc4)cc3)n[nH]c2=S)cc(OC)c1OC ZINC000082154346 562740333 /nfs/dbraw/zinc/74/03/33/562740333.db2.gz DELZLUPPFDLYAI-UHFFFAOYSA-N 0 1 562.467 5.218 1 0 KKAFMN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4cccc(Cl)c4O)n3c2)c1 ZINC000082164877 562741300 /nfs/dbraw/zinc/74/13/00/562741300.db2.gz AXNQJZTUBOINCD-UHFFFAOYSA-N 0 1 638.197 8.020 1 0 KKAFMN CCN1CCN(C[C@H]2S[C@@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164944 562741360 /nfs/dbraw/zinc/74/13/60/562741360.db2.gz ANPQBASXSZBVPK-FJQKOURKSA-N 0 1 709.852 5.249 1 0 KKAFMN CCN1CCN(C[C@@H]2S[C@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170266 562741443 /nfs/dbraw/zinc/74/14/43/562741443.db2.gz QGOMFWNTZLMDCP-HJIQQCSTSA-N 0 1 721.888 5.119 1 0 KKAFMN COc1cc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c53)CCCC4)cc(=O)c2cc1OC ZINC000084587122 562743515 /nfs/dbraw/zinc/74/35/15/562743515.db2.gz RUIHUOCBRFKOJD-UHFFFAOYSA-N 0 1 654.635 8.507 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(CC4CCCCC4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000084587671 562743549 /nfs/dbraw/zinc/74/35/49/562743549.db2.gz PQVFHJADTQQVLM-ONPYCXCXSA-N 0 1 566.806 6.559 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(CC4CCCCC4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000084587671 562743550 /nfs/dbraw/zinc/74/35/50/562743550.db2.gz PQVFHJADTQQVLM-ONPYCXCXSA-N 0 1 566.806 6.559 1 0 KKAFMN CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595514 562743613 /nfs/dbraw/zinc/74/36/13/562743613.db2.gz JLVJXUOOJFCQIH-GCFSYYHISA-N 0 1 602.795 6.178 1 0 KKAFMN CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595514 562743614 /nfs/dbraw/zinc/74/36/14/562743614.db2.gz JLVJXUOOJFCQIH-GCFSYYHISA-N 0 1 602.795 6.178 1 0 KKAFMN C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CCN(C)CC5)cc4OC)ncc3CN(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000084668726 562747696 /nfs/dbraw/zinc/74/76/96/562747696.db2.gz HXIOWWFZWFQOMH-UHFFFAOYSA-N 0 1 696.812 6.962 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5c(c4)[nH]nc5NC)c3)cc2C(F)(F)F)CC1 ZINC000084669028 562747877 /nfs/dbraw/zinc/74/78/77/562747877.db2.gz WVTRAYQNVKHUMI-UHFFFAOYSA-N 0 1 536.602 5.680 1 0 KKAFMN O=C([O-])[C@H]1CCC[N@@H+](CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 ZINC000084759207 562752813 /nfs/dbraw/zinc/75/28/13/562752813.db2.gz UTSFXNDJQVCMNP-QFIPXVFZSA-N 0 1 508.540 6.910 1 0 KKAFMN O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CN(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000089780657 562753659 /nfs/dbraw/zinc/75/36/59/562753659.db2.gz DUYYJZWJGLQXPZ-KDXMTYKHSA-N 0 1 631.816 9.123 1 0 KKAFMN O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000089780656 562753688 /nfs/dbraw/zinc/75/36/88/562753688.db2.gz DUYYJZWJGLQXPZ-LDLOPFEMSA-N 0 1 631.816 9.123 1 0 KKAFMN COc1cccc(CNC(=O)c2cnc(N3CCN(C4CCN(Cc5ccc(Cl)cc5)CC4)CC3)c(Cl)c2)c1 ZINC000095536697 562754050 /nfs/dbraw/zinc/75/40/50/562754050.db2.gz JUMRVKLXUFVLMR-UHFFFAOYSA-N 0 1 568.549 5.114 1 0 KKAFMN C[C@H](NC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000095539333 562755002 /nfs/dbraw/zinc/75/50/02/562755002.db2.gz YMSMUBIIQQDAFR-UYCCPRBBSA-N 0 1 816.893 6.563 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(C)=O)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095558771 562762559 /nfs/dbraw/zinc/76/25/59/562762559.db2.gz VMPIXQIKGNKAMT-UHFFFAOYSA-N 0 1 582.652 5.725 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567763 562766068 /nfs/dbraw/zinc/76/60/68/562766068.db2.gz IXNRSUPNSZLJQC-VQDACHMZSA-N 0 1 700.840 6.670 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095568189 562766384 /nfs/dbraw/zinc/76/63/84/562766384.db2.gz NGQWRAJVXVPGQM-LOTJKCTMSA-N 0 1 668.770 5.656 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095568268 562766436 /nfs/dbraw/zinc/76/64/36/562766436.db2.gz MLNWPGCJBNVZPL-NJQVLOCASA-N 0 1 706.265 5.327 1 0 KKAFMN Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](C)C(=O)OCC[NH+](C)C)c(C)c3)c2)c(C)cc1Cl ZINC000095571596 562769173 /nfs/dbraw/zinc/76/91/73/562769173.db2.gz YAOJYGJVQGNNLZ-QHCPKHFHSA-N 0 1 600.181 5.607 1 0 KKAFMN CC[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@@](C)(Cc2nn[nH]n2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000095572209 562769314 /nfs/dbraw/zinc/76/93/14/562769314.db2.gz JJARPYJBPOGMTN-YEPCPMPXSA-N 0 1 558.510 5.933 1 0 KKAFMN N[C@@H](C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1 ZINC000095573011 562769566 /nfs/dbraw/zinc/76/95/66/562769566.db2.gz UEYIAZBJXOAPRD-HHHXNRCGSA-N 0 1 530.525 6.438 1 0 KKAFMN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@@H+](C)C3)ccc2c(C2CCCC2)c1-c1cccc2cccnc21 ZINC000095577017 562770780 /nfs/dbraw/zinc/77/07/80/562770780.db2.gz UKQQCQIJEYERBR-NROLHNTRSA-N 0 1 641.772 6.592 1 0 KKAFMN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@@H+](C)C3)ccc2c(C2CCCC2)c1-c1ccsc1 ZINC000095577051 562770833 /nfs/dbraw/zinc/77/08/33/562770833.db2.gz AYDSKXAFIPUUOG-ATVBPIPYSA-N 0 1 596.753 6.105 1 0 KKAFMN Cc1cn([C@H]2CCC[N@H+]([C@H](CC3CCCCC3)c3ccc(C(=O)[O-])c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095578144 562771165 /nfs/dbraw/zinc/77/11/65/562771165.db2.gz KIAAPOUCAAGGMQ-RPLLCQBOSA-N 0 1 566.098 6.338 1 0 KKAFMN COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)N[C@@]4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CC[N@@H+](C)C4)cc3n2C)cn1 ZINC000095578152 562771179 /nfs/dbraw/zinc/77/11/79/562771179.db2.gz DQAFMFQHAFQJCX-WILYRIFRSA-N 0 1 621.738 5.447 1 0 KKAFMN C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCc4cn(-c5cc6ccc(O)cc6oc5=O)nn4)[C@H]3[C@@H]1CC[C@@H]2O ZINC000095582506 562772601 /nfs/dbraw/zinc/77/26/01/562772601.db2.gz YPLWXUBAJNIFDO-UGVMDCGZSA-N 0 1 555.675 5.641 1 0 KKAFMN CN1C[C@H](c2ccc(Br)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095588191 562774562 /nfs/dbraw/zinc/77/45/62/562774562.db2.gz RDEMHYKOMLLOPQ-CPESWEKQSA-N 0 1 508.415 6.149 1 0 KKAFMN C[NH+](C)CCOc1ccc(-c2nc(-c3ccc4c([C@@H](O)C(F)(F)F)csc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095588340 562774573 /nfs/dbraw/zinc/77/45/73/562774573.db2.gz NARRGMMZZFHNIL-AREMUKBSSA-N 0 1 538.595 6.557 1 0 KKAFMN O=S(=O)(Nc1cc(C(F)(F)F)c(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000095590892 562775383 /nfs/dbraw/zinc/77/53/83/562775383.db2.gz PQZDPDLJIUSAGV-UHFFFAOYSA-N 0 1 565.706 7.673 1 0 KKAFMN COCCOCCOCCOc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)CC2 ZINC000095590834 562775386 /nfs/dbraw/zinc/77/53/86/562775386.db2.gz RTWTTZOCXJIFQF-UHFFFAOYSA-N 0 1 719.835 6.566 1 0 KKAFMN CN1Cc2cc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)ccc2C[C@H]1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 ZINC000095596714 562777085 /nfs/dbraw/zinc/77/70/85/562777085.db2.gz KBBGMLWMEQJHMK-QXUSSCGESA-N 0 1 683.853 5.760 1 0 KKAFMN CN1Cc2cc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)ccc2C[C@@H]1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 ZINC000095596713 562777098 /nfs/dbraw/zinc/77/70/98/562777098.db2.gz KBBGMLWMEQJHMK-XEZIGOATSA-N 0 1 683.853 5.760 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599186 562777828 /nfs/dbraw/zinc/77/78/28/562777828.db2.gz CBAAPWVHONFTKW-TWQFHJJKSA-N 0 1 724.843 6.039 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599249 562777933 /nfs/dbraw/zinc/77/79/33/562777933.db2.gz JUEHVKXRGUAEIX-ZHBPACGQSA-N 0 1 753.690 8.584 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095600899 562779314 /nfs/dbraw/zinc/77/93/14/562779314.db2.gz JQAVPWYOCCRIFQ-UHFQAXKXSA-N 0 1 700.840 6.670 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095601285 562779523 /nfs/dbraw/zinc/77/95/23/562779523.db2.gz AFYWTTPVIQZCSA-WBSRRFCYSA-N 0 1 678.802 6.126 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095601275 562779539 /nfs/dbraw/zinc/77/95/39/562779539.db2.gz DWBBIMOOPOSMMP-HQLBTAIYSA-N 0 1 617.549 6.058 1 0 KKAFMN N=c1oc2ccccc2cc1C(=O)Nc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000095601579 562779615 /nfs/dbraw/zinc/77/96/15/562779615.db2.gz HSSQZTUBGOSCDN-UHFFFAOYSA-N 0 1 517.427 5.249 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095605160 562781428 /nfs/dbraw/zinc/78/14/28/562781428.db2.gz LGFCYAUQAJYOOY-QNBZCSHPSA-N 0 1 711.869 6.495 1 0 KKAFMN COc1ncccc1C(=O)Nc1cccc(-c2nc3c(ncnc3Nc3cccc(C(F)(F)F)c3)[nH]2)c1 ZINC000095605860 562781756 /nfs/dbraw/zinc/78/17/56/562781756.db2.gz GMFVQLPLGPQSQT-UHFFFAOYSA-N 0 1 505.460 5.438 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3csc(-c4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607372 562782787 /nfs/dbraw/zinc/78/27/87/562782787.db2.gz HRDRRQHMSIEVHO-ILJQZKEFSA-N 0 1 543.777 6.739 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3csc(-c4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607372 562782788 /nfs/dbraw/zinc/78/27/88/562782788.db2.gz HRDRRQHMSIEVHO-ILJQZKEFSA-N 0 1 543.777 6.739 1 0 KKAFMN CC(=O)OC1=C2C(C)[C@@H](OC(C)=O)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)C=Cc4ccc5ccccc5c4)[C@@]3(C)C1=O)C2(C)C ZINC000095609652 562783902 /nfs/dbraw/zinc/78/39/02/562783902.db2.gz FCXMYTFAEMMXFL-RFIKMLTLSA-N 0 1 808.877 5.641 1 0 KKAFMN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000095615593 562787383 /nfs/dbraw/zinc/78/73/83/562787383.db2.gz FVHNVQXWBIUQGH-ZGIBFIJWSA-N 0 1 513.682 5.414 1 0 KKAFMN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000095615593 562787384 /nfs/dbraw/zinc/78/73/84/562787384.db2.gz FVHNVQXWBIUQGH-ZGIBFIJWSA-N 0 1 513.682 5.414 1 0 KKAFMN CCC(=O)c1ccc(OC[C@H](O)CN(C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670056 562788238 /nfs/dbraw/zinc/78/82/38/562788238.db2.gz DTCLOSIOZCFUAJ-YWEHKCAJSA-N 0 1 515.572 6.180 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095809901 562789253 /nfs/dbraw/zinc/78/92/53/562789253.db2.gz AOGINIYPPPQZNW-AODHNJGLSA-N 0 1 702.856 5.546 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095818872 562789258 /nfs/dbraw/zinc/78/92/58/562789258.db2.gz MCLYKCAHKFGNAQ-WGKZYHDKSA-N 0 1 728.809 6.975 1 0 KKAFMN COc1ccc2c(c1)[nH]c1c2C2(CCN(Cc3nccs3)CC2)CN(Cc2ccc(Cl)cc2)[C@H]1CO ZINC000095867895 562789886 /nfs/dbraw/zinc/78/98/86/562789886.db2.gz ZKLYAUHYXNYSSM-DEOSSOPVSA-N 0 1 523.102 5.369 1 0 KKAFMN Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nc12 ZINC000096167719 562790530 /nfs/dbraw/zinc/79/05/30/562790530.db2.gz YESWYKJMEYTXTR-UHFFFAOYSA-N 0 1 523.468 5.677 1 0 KKAFMN CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12 ZINC000096169824 562790835 /nfs/dbraw/zinc/79/08/35/562790835.db2.gz FWQZNEMAOKLNKT-UHFFFAOYSA-N 0 1 552.601 5.046 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@H]4CC[N@H+](C)C4)nc32)c1 ZINC000096175757 562791971 /nfs/dbraw/zinc/79/19/71/562791971.db2.gz FJWLTICFCATXQI-NRFANRHFSA-N 0 1 617.776 5.426 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@H]4CC[N@@H+](C)C4)nc32)c1 ZINC000096175757 562791972 /nfs/dbraw/zinc/79/19/72/562791972.db2.gz FJWLTICFCATXQI-NRFANRHFSA-N 0 1 617.776 5.426 1 0 KKAFMN CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)CN(C)C)CC1)C2 ZINC000096177891 562792417 /nfs/dbraw/zinc/79/24/17/562792417.db2.gz NMOIPXYFJUUAQM-UHFFFAOYSA-N 0 1 684.263 5.095 1 0 KKAFMN Cc1cc(Nc2nc3n[nH]cc3c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000096177903 562792496 /nfs/dbraw/zinc/79/24/96/562792496.db2.gz ONNXBOWOUKAJBU-MUUNZHRXSA-N 0 1 675.778 6.220 1 0 KKAFMN Cc1cc(-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)n[nH]2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1 ZINC000096270656 562793286 /nfs/dbraw/zinc/79/32/86/562793286.db2.gz AEOFEGDYORZHFE-UHFFFAOYSA-N 0 1 570.698 5.314 1 0 in-vitro KKAFMN O=C(CN1CCN(CCCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271829 562793880 /nfs/dbraw/zinc/79/38/80/562793880.db2.gz RFMLTHAJELVKLQ-UHFFFAOYSA-N 0 1 616.762 6.302 1 0 KKAFMN O=C(CN1CCN(CCCCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271831 562793934 /nfs/dbraw/zinc/79/39/34/562793934.db2.gz CTGCJJGSKOQITO-UHFFFAOYSA-N 0 1 630.789 6.692 1 0 KKAFMN CCN1CCn2c(cnc2[C@H](Cc2cc3c[nH]nc3c(C)c2)OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000096284738 562795293 /nfs/dbraw/zinc/79/52/93/562795293.db2.gz VEWKJXMBTJTFJT-LJAQVGFWSA-N 0 1 579.705 5.045 1 0 KKAFMN CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)c(C)n2)cc1 ZINC000096285399 562795621 /nfs/dbraw/zinc/79/56/21/562795621.db2.gz GXAULSHQHOUJMH-HKBQPEDESA-N 0 1 583.733 5.164 1 0 KKAFMN O=C([O-])c1ccc(Oc2ccc(C[NH+]3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(Cl)c4)CC3)cn2)cc1 ZINC000096285400 562795675 /nfs/dbraw/zinc/79/56/75/562795675.db2.gz FXULQZUSZUIYOW-LJAQVGFWSA-N 0 1 591.108 5.848 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cccc(F)c5C)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910301 562799924 /nfs/dbraw/zinc/79/99/24/562799924.db2.gz KKBDUEYRBSSRCI-ALKSUCKLSA-N 0 1 506.618 5.473 1 0 KKAFMN NS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000096937286 562804178 /nfs/dbraw/zinc/80/41/78/562804178.db2.gz ZZKJYWJMKZJTKA-UHFFFAOYSA-N 0 1 582.057 5.383 1 0 KKAFMN O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1 ZINC000096941794 562805066 /nfs/dbraw/zinc/80/50/66/562805066.db2.gz MCVRVJVTDQSDFC-WJOKGBTCSA-N 0 1 565.710 5.804 1 0 KKAFMN O=c1oc(C(CC2CC2)CC2CC2)cc(O)c1[C@@H](c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000100909354 562808522 /nfs/dbraw/zinc/80/85/22/562808522.db2.gz BFWDTFXPCUQCAN-GDLZYMKVSA-N 0 1 536.665 6.684 1 0 KKAFMN C[N@@H+]1C(c2ccc(OCc3cc(N4CCCC4=O)ccc3N3CCOCC3)cc2)=C(C2CCCCC2)[C@H]2SC(C(=O)[O-])=C[C@H]21 ZINC000101112244 562809274 /nfs/dbraw/zinc/80/92/74/562809274.db2.gz HYOXASZMNNXLAB-SJHOIFEDSA-N 0 1 615.796 5.918 1 0 KKAFMN CCN(CC)CCNc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000103157994 562814572 /nfs/dbraw/zinc/81/45/72/562814572.db2.gz CPMBNSWRMFWTIE-UHFFFAOYSA-N 0 1 553.761 6.299 1 0 KKAFMN CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000103178913 562815202 /nfs/dbraw/zinc/81/52/02/562815202.db2.gz GQIFGHYUPITAKH-UHFFFAOYSA-N 0 1 590.138 5.440 1 0 KKAFMN CCOc1ccccc1N1CCN(C[C@H](O)CSc2nnc(-c3ccc(Br)cc3)c3ccccc32)CC1 ZINC000103187769 562815507 /nfs/dbraw/zinc/81/55/07/562815507.db2.gz WYQIZJIQGCPDDP-QHCPKHFHSA-N 0 1 579.564 5.733 1 0 KKAFMN CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000103187891 562815541 /nfs/dbraw/zinc/81/55/41/562815541.db2.gz MDLPRFCPQXSMDU-UHFFFAOYSA-N 0 1 615.723 6.289 1 0 KKAFMN C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)[C@@H]1CCCN1C ZINC000103224739 562817602 /nfs/dbraw/zinc/81/76/02/562817602.db2.gz NJLGJIVVVAPJOY-VMWKKPLTSA-N 0 1 542.630 5.046 1 0 KKAFMN Cc1ccc(C[C@@H](CCCSc2ccc(C[NH2+]CCC[P@](=O)([O-])O)cc2)c2cc(F)cc(F)c2)cc1C ZINC000103256040 562820773 /nfs/dbraw/zinc/82/07/73/562820773.db2.gz RTLDMXLBQDYSBI-RUZDIDTESA-N 0 1 547.648 7.138 1 0 KKAFMN CN1CCN(c2ccccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268300 562822629 /nfs/dbraw/zinc/82/26/29/562822629.db2.gz BVBKKSBNHAKHEX-FJQKOURKSA-N 0 1 646.902 5.289 1 0 KKAFMN CN1CCN(c2ccccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268258 562822632 /nfs/dbraw/zinc/82/26/32/562822632.db2.gz ORQLPHMUPMGJPQ-DITALETJSA-N 0 1 632.875 5.246 1 0 KKAFMN CN(C(=O)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 ZINC000103283317 562823689 /nfs/dbraw/zinc/82/36/89/562823689.db2.gz MWKDCAHKUKXUGT-NLDZOOGBSA-N 0 1 547.537 6.282 1 0 KKAFMN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283370 562823697 /nfs/dbraw/zinc/82/36/97/562823697.db2.gz FHIVYCWZQDBZIS-FCEKVYKBSA-N 0 1 533.510 5.939 1 0 KKAFMN Cc1ccc(-c2ncc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)NCc3ccccc3)[nH]2)cc1 ZINC000103298019 562824706 /nfs/dbraw/zinc/82/47/06/562824706.db2.gz WTLMBYWFTFAZND-CONSDPRKSA-N 0 1 620.754 5.346 1 0 KKAFMN COc1ccc(-c2ncc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C(=O)NCc3ccccc3)[nH]2)cc1 ZINC000103298021 562824709 /nfs/dbraw/zinc/82/47/09/562824709.db2.gz BFWBWLXQMUQJGT-CONSDPRKSA-N 0 1 636.753 5.046 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3C[C@H]4C[C@@]4(c4ccc(Cl)c(Cl)c4)C3)n2C)n1 ZINC000113697286 562826681 /nfs/dbraw/zinc/82/66/81/562826681.db2.gz URICTYNITRPTLS-WINIVTDRSA-N 0 1 524.521 6.401 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@H]4C[C@@]4(c4ccc(Cl)c(Cl)c4)C3)n2C)n1 ZINC000113697286 562826682 /nfs/dbraw/zinc/82/66/82/562826682.db2.gz URICTYNITRPTLS-WINIVTDRSA-N 0 1 524.521 6.401 1 0 KKAFMN CCOc1cc(C[N@H+]2CCC[C@@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114356513 562828189 /nfs/dbraw/zinc/82/81/89/562828189.db2.gz RXJQADLHFADIBA-YTTGMZPUSA-N 0 1 562.638 6.370 1 0 KKAFMN Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4c(F)ccc(Cl)c4F)[nH]c3Cl)ccc12 ZINC000115472374 562828924 /nfs/dbraw/zinc/82/89/24/562828924.db2.gz OCMFFWCGTBFTPW-FQEVSTJZSA-N 0 1 556.404 5.903 1 0 KKAFMN Cn1cc(-c2cccc(-n3ccc4cc(C5CC5)cc(Cl)c4c3=O)c2CO)cc(Nc2ccc(N3CCN(C)CC3)cn2)c1=O ZINC000116946531 562829627 /nfs/dbraw/zinc/82/96/27/562829627.db2.gz ZIRNDUAARHAZAY-UHFFFAOYSA-N 0 1 623.157 5.270 1 0 KKAFMN CC(C)c1nc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CCN(C)CC4)ccn32)cs1 ZINC000117883541 562829944 /nfs/dbraw/zinc/82/99/44/562829944.db2.gz UINBBGMOCCFITL-UHFFFAOYSA-N 0 1 598.777 5.068 1 0 KKAFMN CC(C)C[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000140246884 562832998 /nfs/dbraw/zinc/83/29/98/562832998.db2.gz LEUFFUTXGPDLGG-LOBGPBDSSA-N 0 1 624.617 6.788 1 0 KKAFMN CN1CCCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140560930 562833180 /nfs/dbraw/zinc/83/31/80/562833180.db2.gz LBGJNSVXUMNZLY-HQDRYFOSSA-N 0 1 539.664 5.649 1 0 KKAFMN Cc1c(C)c2c(c(C)c1CCCCCC[NH3+])CC[C@@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000142232450 562834083 /nfs/dbraw/zinc/83/40/83/562834083.db2.gz UPIQNDZYPVLCPV-IENUPWEYSA-N 0 1 522.711 6.160 1 0 KKAFMN COc1cc(C(=O)N[C@@H]2CCN(C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145961496 562837819 /nfs/dbraw/zinc/83/78/19/562837819.db2.gz MSULTFPSAMYWKE-OAHLLOKOSA-N 0 1 590.002 5.565 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)cc2)=NC12CCC(C(C)(C)C)CC2 ZINC000147373200 562839316 /nfs/dbraw/zinc/83/93/16/562839316.db2.gz SDNURFLZOHLGIZ-YUDZBJCPSA-N 0 1 601.771 6.400 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)C)nc21 ZINC000148143817 562840293 /nfs/dbraw/zinc/84/02/93/562840293.db2.gz VBNBODOFWOSZTI-UHFFFAOYSA-N 0 1 550.589 5.405 1 0 KKAFMN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(C(C)C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148296695 562840897 /nfs/dbraw/zinc/84/08/97/562840897.db2.gz BVQZGXYHPKUDBF-UHFFFAOYSA-N 0 1 580.615 5.282 1 0 KKAFMN CO[C@@H]1CCN(c2nc(-c3c4c(ccc3C)n[nH]c4C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@H]1C ZINC000149130854 562842149 /nfs/dbraw/zinc/84/21/49/562842149.db2.gz BSVQZQJKSVHJKW-KPURRNSFSA-N 0 1 538.740 6.492 1 0 KKAFMN COc1ccc([C@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588790 562846061 /nfs/dbraw/zinc/84/60/61/562846061.db2.gz DEHAHKKDJRYULL-JGBHCADMSA-N 0 1 801.930 6.270 1 0 KKAFMN NC(=O)c1c(F)ccc(O[C@@H](COC(=O)NCCc2cnc[nH]2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593695 562846439 /nfs/dbraw/zinc/84/64/39/562846439.db2.gz RBAAYWOHJRNGIN-KRWDZBQOSA-N 0 1 644.351 5.312 1 0 KKAFMN COc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c(NS(C)(=O)=O)c1 ZINC000150603126 562847404 /nfs/dbraw/zinc/84/74/04/562847404.db2.gz 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YCSQAOOUGQNJEU-NZEIRVQTSA-N 0 1 556.744 5.827 1 0 KKAFMN CCOC(=O)c1cc(-c2ccccc2)n2c1c(-c1ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc1)nc1ccccc12 ZINC000653737623 562909821 /nfs/dbraw/zinc/90/98/21/562909821.db2.gz LESNNKZLHFFZAI-UHFFFAOYSA-N 0 1 621.741 7.891 1 0 KKAFMN COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccsc3)C(=O)c3cc(Cl)c(O)cc3O)cc2)cc1 ZINC000653768401 562911744 /nfs/dbraw/zinc/91/17/44/562911744.db2.gz DJJXLVHDVQWCDQ-UHFFFAOYSA-N 0 1 537.037 5.941 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5ccc4c3)s2)c[nH]1)C(C)C ZINC000653801613 562913408 /nfs/dbraw/zinc/91/34/08/562913408.db2.gz MZFAYRLULALNAD-ANFUHZJESA-N 0 1 813.070 7.390 1 0 KKAFMN O=C(Nc1ccccc1Br)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653823225 562914276 /nfs/dbraw/zinc/91/42/76/562914276.db2.gz JUOMGWTUGYPOKG-UHFFFAOYSA-N 0 1 572.648 6.241 1 0 KKAFMN CC[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653829556 562914474 /nfs/dbraw/zinc/91/44/74/562914474.db2.gz WZPUHLVKYQFUJW-DEOSSOPVSA-N 0 1 521.452 7.328 1 0 KKAFMN C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1)c1c(Cl)ccnc1Cl ZINC000653829523 562914491 /nfs/dbraw/zinc/91/44/91/562914491.db2.gz QGVWOPLCQCNGAH-HNNXBMFYSA-N 0 1 507.425 6.938 1 0 KKAFMN COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2cccc(Cl)n2)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837792 562914753 /nfs/dbraw/zinc/91/47/53/562914753.db2.gz BPRPPUQEETUALV-LITRCPILSA-N 0 1 686.209 5.446 1 0 KKAFMN COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 ZINC000653852814 562915612 /nfs/dbraw/zinc/91/56/12/562915612.db2.gz IXYGNNGNXNGTKZ-GRKNLSHJSA-N 0 1 571.685 5.168 1 0 KKAFMN CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(N[C@H]3CC[C@H](O)CC3)c2)CC1 ZINC000653861694 562916007 /nfs/dbraw/zinc/91/60/07/562916007.db2.gz COPINYWCESNOFK-YOCNBXQISA-N 0 1 574.676 5.151 1 0 KKAFMN C=CC(=O)Nc1ccc2c(cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)n2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000653912835 562917713 /nfs/dbraw/zinc/91/77/13/562917713.db2.gz DDNYNMICZCPRKQ-UHFFFAOYSA-N 0 1 561.608 5.837 1 0 KKAFMN COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(OC)c(c31)Oc1cc3c(cc1OC)CC[N@H+](C)[C@@H]3C2 ZINC000070454481 565119606 /nfs/dbraw/zinc/11/96/06/565119606.db2.gz ZKHQJCUUEXSGCM-GDLZYMKVSA-N 0 1 606.719 6.979 1 0 biogenic,in-vitro KKAFMN COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(OC)c(c31)Oc1cc3c(cc1OC)CCN(C)[C@@H]3C2 ZINC000070454481 565119613 /nfs/dbraw/zinc/11/96/13/565119613.db2.gz ZKHQJCUUEXSGCM-GDLZYMKVSA-N 0 1 606.719 6.979 1 0 biogenic,in-vitro KKAFMN CCC1C=C(c2cccc(CCc3c([O-])c(OC)c(OCCC4(O)CCCC4)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=N1 ZINC000150350032 565202605 /nfs/dbraw/zinc/20/26/05/565202605.db2.gz KUTLSLSLXXZUCR-UHFFFAOYSA-N 0 1 692.833 6.492 1 0 biogenic,in-vitro KKAFMN COc1c(O)c(C[C@@H]2C=Cc3cc4[nH]ccc4c4cccc2c34)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO ZINC000103533170 291964025 /nfs/dbraw/zinc/96/40/25/291964025.db2.gz PGGRALNEEXVZDL-FQEVSTJZSA-N 0 1 574.609 6.414 1 0 biogenic,in-vitro KKAFMN COc1ccc2c3c(ccc2c1)c(C(=O)NCCN(C)CCNC(=O)c1cn(C)c2c1ccc1cc(OC)ccc21)cn3C ZINC000001861222 561679901 /nfs/dbraw/zinc/67/99/01/561679901.db2.gz ANSOMLSHMKCSIY-UHFFFAOYSA-N 0 1 591.712 5.085 1 0 KKAFMN CN(C)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000003842930 561684179 /nfs/dbraw/zinc/68/41/79/561684179.db2.gz SQCCCUOOWHMPBF-UHFFFAOYSA-N 0 1 692.783 6.275 1 0 KKAFMN CCN(CC)C(=O)CN1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000003950869 561690468 /nfs/dbraw/zinc/69/04/68/561690468.db2.gz LLCGVIGFFQPTGW-WJOKGBTCSA-N 0 1 708.967 6.700 1 0 KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3[nH]c4ccccc4c3C(C)C)cc2)cc1OC ZINC000003996017 561693748 /nfs/dbraw/zinc/69/37/48/561693748.db2.gz KWAAABBJIYOBAJ-UHFFFAOYSA-N 0 1 550.721 6.085 1 0 KKAFMN CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@H]3c1ccc(Cl)cc1 ZINC000005846554 561699413 /nfs/dbraw/zinc/69/94/13/561699413.db2.gz DPRJQEGEYJLPKK-JOCHJYFZSA-N 0 1 548.990 6.093 1 0 KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1 ZINC000013451539 561713513 /nfs/dbraw/zinc/71/35/13/561713513.db2.gz QRENGZQQNFRNRN-UHFFFAOYSA-N 0 1 520.695 5.848 1 0 KKAFMN CCc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761645 561727914 /nfs/dbraw/zinc/72/79/14/561727914.db2.gz NOYADQYONLFGMN-AREMUKBSSA-N 0 1 507.652 5.910 1 0 KKAFMN CCC[C@@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761693 561727971 /nfs/dbraw/zinc/72/79/71/561727971.db2.gz QMJIUGVUFJPDBZ-QFIPXVFZSA-N 0 1 516.059 6.391 1 0 KKAFMN Cc1nnc2cc(-c3cccc(Cl)c3)c3cc([C@](N)(c4cncn4C)c4ccc(Cl)cc4)ccc3n12 ZINC000013587838 561720880 /nfs/dbraw/zinc/72/08/80/561720880.db2.gz ZBVRAORJUFNDAX-NDEPHWFRSA-N 0 1 513.432 6.149 1 0 KKAFMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1cccc(F)c1 ZINC000013646652 561722666 /nfs/dbraw/zinc/72/26/66/561722666.db2.gz JGEJXPDQDZYEEV-NRFANRHFSA-N 0 1 519.661 5.994 1 0 KKAFMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(Cl)cc1 ZINC000013646602 561722675 /nfs/dbraw/zinc/72/26/75/561722675.db2.gz HUIRYPIBXDIZJQ-NRFANRHFSA-N 0 1 536.116 6.508 1 0 KKAFMN COc1ccc(C(OCCC[N@H+]2CCC[C@@H](C(=O)[O-])C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000013737909 561725664 /nfs/dbraw/zinc/72/56/64/561725664.db2.gz YEECPDWLBQWZKU-HSZRJFAPSA-N 0 1 519.638 5.208 1 0 KKAFMN CC(C)[C@H](O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1 ZINC000013738588 561725816 /nfs/dbraw/zinc/72/58/16/561725816.db2.gz ICRGHZIYDWWKSI-RJXYDRFNSA-N 0 1 507.675 5.312 1 0 KKAFMN C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744232 561726650 /nfs/dbraw/zinc/72/66/50/561726650.db2.gz MSYTWGRTZFXVLE-UZUQRXQVSA-N 0 1 510.631 5.398 1 0 KKAFMN COc1ccc([C@@H](CCN2CCN(c3ccccc3OC)CC2)Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000013861746 561734736 /nfs/dbraw/zinc/73/47/36/561734736.db2.gz YMXILHSRXXPJAE-AREMUKBSSA-N 0 1 500.561 6.055 1 0 KKAFMN CCCCC1(CCCC)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000013863925 561735110 /nfs/dbraw/zinc/73/51/10/561735110.db2.gz FDJQARYJQHXLKI-WJOKGBTCSA-N 0 1 532.732 8.600 1 0 KKAFMN CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013864332 561735246 /nfs/dbraw/zinc/73/52/46/561735246.db2.gz NFBNIRNKYJTDIE-UHFFFAOYSA-N 0 1 521.652 5.846 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc(-c5nn[nH]n5)ccc4nc3-c3ccccc3)cc2)CC1 ZINC000014957947 561748092 /nfs/dbraw/zinc/74/80/92/561748092.db2.gz CCGCNRFJWOIIDQ-UHFFFAOYSA-N 0 1 579.668 5.624 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3[nH]c(=O)c(Cc4ccc(O)cc4)nc3-c3ccccc3)cc2)CC1 ZINC000014957921 561748131 /nfs/dbraw/zinc/74/81/31/561748131.db2.gz POLULYJEVDSBIB-UHFFFAOYSA-N 0 1 583.692 5.880 1 0 KKAFMN O=C(Nc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O ZINC000014962061 561748714 /nfs/dbraw/zinc/74/87/14/561748714.db2.gz RVLRVRRSGYQIIQ-UHFFFAOYSA-N 0 1 518.411 5.130 1 0 KKAFMN Cc1cccc(C)c1OC(=O)N(c1cccc(-c2ccccc2)c1)c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000014965435 561749680 /nfs/dbraw/zinc/74/96/80/561749680.db2.gz GPYPLTYWZZWNHS-UHFFFAOYSA-N 0 1 584.724 7.593 1 0 KKAFMN Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCN3CCc4c5ccccc5[nH]c4C3)CC2)cc1 ZINC000022441693 561759103 /nfs/dbraw/zinc/75/91/03/561759103.db2.gz LDFFNESLZJXVMY-UHFFFAOYSA-N 0 1 500.637 5.602 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000022449418 561759231 /nfs/dbraw/zinc/75/92/31/561759231.db2.gz XVJQXIUEEXVEKU-UHFFFAOYSA-N 0 1 562.600 5.004 1 0 KKAFMN CC(C)N(CCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc(C(C)(C)C)ccc1O ZINC000022934256 561760620 /nfs/dbraw/zinc/76/06/20/561760620.db2.gz YLDZFBCNASIHQU-YTTGMZPUSA-N 0 1 534.188 7.355 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1 ZINC000022952943 561761216 /nfs/dbraw/zinc/76/12/16/561761216.db2.gz BQRFGIIHXOVNDN-UHFFFAOYSA-N 0 1 591.634 5.706 3 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000025421646 561762790 /nfs/dbraw/zinc/76/27/90/561762790.db2.gz PXQITGQLJXJUBG-LJAQVGFWSA-N 0 1 624.710 6.557 1 0 KKAFMN O=S(=O)(c1cccc2cccnc21)N1Cc2ccccc2N(Cc2cnc[nH]2)[C@@H](CCc2ccccc2)C1 ZINC000025983328 561763967 /nfs/dbraw/zinc/76/39/67/561763967.db2.gz ZIZPPVVMLFRSCK-MHZLTWQESA-N 0 1 523.662 5.170 1 0 KKAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C(=O)N(C)CC(C)(C)C)c1Cl ZINC000026146672 561767297 /nfs/dbraw/zinc/76/72/97/561767297.db2.gz OOYXLYGKDANTPG-UHFFFAOYSA-N 0 1 553.106 5.486 1 0 KKAFMN COc1ccc(-c2cccc(CNc3[nH]c4ccccc4[nH+]3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000026174650 561770624 /nfs/dbraw/zinc/77/06/24/561770624.db2.gz VEMWYUREVHTDDI-AREMUKBSSA-N 0 1 556.644 5.345 1 0 KKAFMN COc1ccc(-c2cccc(CNc3[nH]c4ccccc4[nH+]3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026174645 561770638 /nfs/dbraw/zinc/77/06/38/561770638.db2.gz VEMWYUREVHTDDI-SANMLTNESA-N 0 1 556.644 5.345 1 0 KKAFMN CCc1c(CN2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)c(C)cc(C)[n+]1[O-] ZINC000026264004 561775969 /nfs/dbraw/zinc/77/59/69/561775969.db2.gz UMYSZUCCPHMZDA-UHFFFAOYSA-N 0 1 628.770 5.313 1 0 KKAFMN O=C([O-])[C@@H]1CCC[N@@H+](CCOCCN2c3ccc(Br)cc3CCc3cc(Br)ccc32)C1 ZINC000026265930 561776349 /nfs/dbraw/zinc/77/63/49/561776349.db2.gz LTESPWSHWABUPA-LJQANCHMSA-N 0 1 552.307 5.262 1 0 KKAFMN O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270044 561776944 /nfs/dbraw/zinc/77/69/44/561776944.db2.gz IFCFNTZOGXOQEH-KVBYWJEESA-N 0 1 644.926 6.421 1 0 KKAFMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccc(O)cc1 ZINC000026282091 561779191 /nfs/dbraw/zinc/77/91/91/561779191.db2.gz JLYJMHQUIUPIOV-KYJUHHDHSA-N 0 1 573.734 5.100 1 0 KKAFMN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C1CCCCC1 ZINC000026382884 561783729 /nfs/dbraw/zinc/78/37/29/561783729.db2.gz NNBHDRJEVSYTPI-NGCAANIMSA-N 0 1 611.835 6.436 1 0 KKAFMN NC(N)c1ccc([C@@H](NC(=O)OCc2cccc3ccccc32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026389937 561785537 /nfs/dbraw/zinc/78/55/37/561785537.db2.gz IYXRXSXQZIARNW-HKBQPEDESA-N 0 1 567.582 7.032 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccccc76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026392975 561786137 /nfs/dbraw/zinc/78/61/37/561786137.db2.gz XRZABVXOXGEMQZ-UHFFFAOYSA-N 0 1 640.802 5.898 1 0 KKAFMN Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CC[N@@H+]([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026466845 561789864 /nfs/dbraw/zinc/78/98/64/561789864.db2.gz JBVORPHTFJNKFO-FNZWTVRRSA-N 0 1 543.678 5.654 1 0 KKAFMN COc1ccc(S(=O)(=O)N(C)C[C@@H](CCN2CCC3(C[S@](=O)c4ccccc43)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026577813 561802362 /nfs/dbraw/zinc/80/23/62/561802362.db2.gz CBYZGFYDJQMMJL-QFGCMMRWSA-N 0 1 621.652 5.951 1 0 KKAFMN COc1ccc(N(C(=O)CN2c3ccccc3N(c3ccccc3)C(=O)[C@@](Cc3n[nH]c4ccccc43)(OC)C2=O)C(C)C)cc1 ZINC000026656483 561809247 /nfs/dbraw/zinc/80/92/47/561809247.db2.gz YXAVZKKJFIOGEL-BHVANESWSA-N 0 1 617.706 5.652 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2[nH]ccc2c1 ZINC000026578891 561803911 /nfs/dbraw/zinc/80/39/11/561803911.db2.gz UQMQSJFZKTWCCK-ILXYDQFHSA-N 0 1 630.663 6.424 1 0 KKAFMN CCN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026579365 561804521 /nfs/dbraw/zinc/80/45/21/561804521.db2.gz JHFSXSQRPYGVML-RJNCKGSUSA-N 0 1 605.653 6.333 1 0 KKAFMN CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S@@](=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 ZINC000026649285 561808100 /nfs/dbraw/zinc/80/81/00/561808100.db2.gz UJGYNDPRZZIZJY-KDXMTYKHSA-N 0 1 622.900 5.131 1 0 KKAFMN CCOC(=O)[C@@H](CC(C)C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026669448 561812016 /nfs/dbraw/zinc/81/20/16/561812016.db2.gz PVTFSFOLZGVZIC-PMUGGPHNSA-N 0 1 729.985 5.100 1 0 KKAFMN CCOC(=O)C1=C(COCCn2c(C)nc(C)c2C)NC(C)=C(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1Cl ZINC000026832160 561823195 /nfs/dbraw/zinc/82/31/95/561823195.db2.gz PHJLCZFCACXHBM-UFEOWHGLSA-N 0 1 563.098 6.436 1 0 KKAFMN C=C1N=C(C)C(C(=O)OCC)[C@@H](c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C1C(=O)OCC ZINC000026840899 561825686 /nfs/dbraw/zinc/82/56/86/561825686.db2.gz LSXRJFMSLRBEHB-FSPIHMFUSA-N 0 1 579.491 7.091 1 0 KKAFMN CC[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026995055 561833104 /nfs/dbraw/zinc/83/31/04/561833104.db2.gz HWLKYGTXYNWEPH-WNOXWKSXSA-N 0 1 673.814 6.165 1 0 KKAFMN CC(C)OCCOc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1 ZINC000027195867 561844204 /nfs/dbraw/zinc/84/42/04/561844204.db2.gz UNUUFLTUZOLRDF-OJSALCDSSA-N 0 1 616.755 5.964 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(C)c6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027094915 561837865 /nfs/dbraw/zinc/83/78/65/561837865.db2.gz LTJMQIGVDRWXTF-UHFFFAOYSA-N 0 1 618.796 5.361 1 0 KKAFMN C[C@@H](C[C@@H](CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027179887 561841646 /nfs/dbraw/zinc/84/16/46/561841646.db2.gz ONTDQIVDLLQOGA-BHBYDHKZSA-N 0 1 519.751 6.263 1 0 KKAFMN CCc1cc(CC)c(NC(=O)C[N@H+]2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)[O-])[C@@H]2c2ccc(OC)cc2)c(CC)c1 ZINC000027190258 561843396 /nfs/dbraw/zinc/84/33/96/561843396.db2.gz BYIKTFONIZDLEI-FUKIBTTHSA-N 0 1 558.675 5.591 1 0 KKAFMN CN(Cc1c(-c2ccc(N)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027191937 561843612 /nfs/dbraw/zinc/84/36/12/561843612.db2.gz FOXVBEONEKPPOA-UHFFFAOYSA-N 0 1 594.687 6.422 1 0 KKAFMN COCCOc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@H](c2ccccc2)C(C)(C)C)cc1 ZINC000027194884 561844052 /nfs/dbraw/zinc/84/40/52/561844052.db2.gz WOQBGOSNHKHPRH-KLWPZSMLSA-N 0 1 588.701 5.185 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000027201782 561845206 /nfs/dbraw/zinc/84/52/06/561845206.db2.gz FFXSFOBUYYTLRH-MLWJCNIFSA-N 0 1 530.621 5.336 1 0 KKAFMN O=C(Cc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1)Nc1ccc(-n2ccccc2=O)cc1 ZINC000027206243 561845952 /nfs/dbraw/zinc/84/59/52/561845952.db2.gz USIINOACWLOALU-UHFFFAOYSA-N 0 1 505.397 5.386 1 0 KKAFMN O=c1c(O)c(O)c(O)c(-c2cccc(-c3nnc(-c4ccc5ccccc5c4)o3)c2)cc1-c1cccc(-c2nnc(-c3ccc4ccccc4c3)o2)c1 ZINC000027419623 561857578 /nfs/dbraw/zinc/85/75/78/561857578.db2.gz QCSBCOROCCUKBD-UHFFFAOYSA-N 0 1 694.703 9.238 1 0 KKAFMN Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(-c3ccccc3)n12 ZINC000027437096 561860299 /nfs/dbraw/zinc/86/02/99/561860299.db2.gz ZGWTZTNRPVIWNM-XIFFEERXSA-N 0 1 575.503 7.507 1 0 KKAFMN CN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC000027558552 561870013 /nfs/dbraw/zinc/87/00/13/561870013.db2.gz BHWYCHMTRSNAIB-UHFFFAOYSA-N 0 1 539.488 6.465 1 0 KKAFMN O=C1CC[C@](CCN2CC(N3CCO[C@@H](c4ccccc4)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000027623365 561872838 /nfs/dbraw/zinc/87/28/38/561872838.db2.gz YBYSBOXLPMEIAC-ZQWAWDFXSA-N 0 1 578.584 6.202 1 0 KKAFMN CC(C)OP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC(C)C ZINC000027625960 561873077 /nfs/dbraw/zinc/87/30/77/561873077.db2.gz QOOPUUQBNPENEC-YDPTYEFTSA-N 0 1 719.861 5.432 1 0 KKAFMN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027733512 561881555 /nfs/dbraw/zinc/88/15/55/561881555.db2.gz RQMJGCSUBDMHRC-JOCHJYFZSA-N 0 1 612.146 5.384 1 0 KKAFMN COc1cc2c(cc1OC)[C@@](CCCN1CCN(c3ccccc3Cl)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887156 561889590 /nfs/dbraw/zinc/88/95/90/561889590.db2.gz UTUCRGRDOADXJQ-SSEXGKCCSA-N 0 1 525.064 5.915 1 0 KKAFMN COc1cc(C(=O)N2CO[C@](CCN3CCC4(CC3)c3ccccc3CS4(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027997764 561894145 /nfs/dbraw/zinc/89/41/45/561894145.db2.gz DEGCEPYVVJVQIG-YTTGMZPUSA-N 0 1 675.631 5.654 1 0 KKAFMN Cc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CC3)CC2)c1C ZINC000028004361 561895220 /nfs/dbraw/zinc/89/52/20/561895220.db2.gz HGNHDNMSOVDSPL-UHFFFAOYSA-N 0 1 576.715 5.013 1 0 KKAFMN CN1CCN(c2cccc(-c3ccc(C(=O)Nc4ccc(Cl)cc4C(=O)Nc4ccc(Cl)cn4)cc3)c2)CC1 ZINC000028017778 561897733 /nfs/dbraw/zinc/89/77/33/561897733.db2.gz NSAUHJNSLPKLQA-UHFFFAOYSA-N 0 1 560.485 6.312 1 0 KKAFMN CCn1nc(CCc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028011839 561896505 /nfs/dbraw/zinc/89/65/05/561896505.db2.gz DXAUQEOHONCARU-FFPQSLRISA-N 0 1 600.823 6.756 1 0 KKAFMN CCn1nc(CCc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028011839 561896506 /nfs/dbraw/zinc/89/65/06/561896506.db2.gz DXAUQEOHONCARU-FFPQSLRISA-N 0 1 600.823 6.756 1 0 KKAFMN CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013628 561896804 /nfs/dbraw/zinc/89/68/04/561896804.db2.gz YTYBDTOBXSWUBR-XXSKFNENSA-N 0 1 638.828 7.429 1 0 KKAFMN CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013628 561896806 /nfs/dbraw/zinc/89/68/06/561896806.db2.gz YTYBDTOBXSWUBR-XXSKFNENSA-N 0 1 638.828 7.429 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028015674 561897294 /nfs/dbraw/zinc/89/72/94/561897294.db2.gz DYYAUPMKHPMGJX-SCBPGGBZSA-N 0 1 616.822 6.568 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028015674 561897296 /nfs/dbraw/zinc/89/72/96/561897296.db2.gz DYYAUPMKHPMGJX-SCBPGGBZSA-N 0 1 616.822 6.568 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016648 561897471 /nfs/dbraw/zinc/89/74/71/561897471.db2.gz NYXHSNJGOQCTBS-MQMFKJKRSA-N 0 1 644.754 6.926 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016648 561897473 /nfs/dbraw/zinc/89/74/73/561897473.db2.gz NYXHSNJGOQCTBS-MQMFKJKRSA-N 0 1 644.754 6.926 1 0 KKAFMN CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018261 561897871 /nfs/dbraw/zinc/89/78/71/561897871.db2.gz SXKNFGNGCSTXQU-HBBZNRFGSA-N 0 1 662.894 8.228 1 0 KKAFMN CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018261 561897873 /nfs/dbraw/zinc/89/78/73/561897873.db2.gz SXKNFGNGCSTXQU-HBBZNRFGSA-N 0 1 662.894 8.228 1 0 KKAFMN CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028021351 561898515 /nfs/dbraw/zinc/89/85/15/561898515.db2.gz LDTUIPCDYVXKIB-AUFCLJJTSA-N 0 1 618.838 6.814 1 0 KKAFMN CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028021351 561898516 /nfs/dbraw/zinc/89/85/16/561898516.db2.gz LDTUIPCDYVXKIB-AUFCLJJTSA-N 0 1 618.838 6.814 1 0 KKAFMN CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086017 561898984 /nfs/dbraw/zinc/89/89/84/561898984.db2.gz OTAQHXMWYBKCMQ-FAQYSXNFSA-N 0 1 630.849 6.959 1 0 KKAFMN CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086017 561898985 /nfs/dbraw/zinc/89/89/85/561898985.db2.gz OTAQHXMWYBKCMQ-FAQYSXNFSA-N 0 1 630.849 6.959 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028086192 561899132 /nfs/dbraw/zinc/89/91/32/561899132.db2.gz NYXHSNJGOQCTBS-KLTPPHAJSA-N 0 1 644.754 6.926 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028086192 561899134 /nfs/dbraw/zinc/89/91/34/561899134.db2.gz NYXHSNJGOQCTBS-KLTPPHAJSA-N 0 1 644.754 6.926 1 0 KKAFMN CCn1nc(Cc2ccc(F)c(F)c2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028087170 561899242 /nfs/dbraw/zinc/89/92/42/561899242.db2.gz KEJUVQKLDUSQJY-AAMSNGAJSA-N 0 1 582.711 5.915 1 0 KKAFMN CCn1nc(Cc2ccc(F)c(F)c2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028087170 561899244 /nfs/dbraw/zinc/89/92/44/561899244.db2.gz KEJUVQKLDUSQJY-AAMSNGAJSA-N 0 1 582.711 5.915 1 0 KKAFMN CCn1nc(Cc2ccc(OCC(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028087288 561899393 /nfs/dbraw/zinc/89/93/93/561899393.db2.gz NDWYKTGTDRMPDY-QOCRQHEPSA-N 0 1 658.781 6.968 1 0 KKAFMN CCn1nc(Cc2ccc(OCC(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028087288 561899395 /nfs/dbraw/zinc/89/93/95/561899395.db2.gz NDWYKTGTDRMPDY-QOCRQHEPSA-N 0 1 658.781 6.968 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028088257 561899566 /nfs/dbraw/zinc/89/95/66/561899566.db2.gz KXTISGVXSYBLGP-MQMFKJKRSA-N 0 1 626.764 6.629 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028088257 561899568 /nfs/dbraw/zinc/89/95/68/561899568.db2.gz KXTISGVXSYBLGP-MQMFKJKRSA-N 0 1 626.764 6.629 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099409 561901331 /nfs/dbraw/zinc/90/13/31/561901331.db2.gz HLZAJLBSYWFNOU-DDEBSJFKSA-N 0 1 666.882 7.606 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099409 561901332 /nfs/dbraw/zinc/90/13/32/561901332.db2.gz HLZAJLBSYWFNOU-DDEBSJFKSA-N 0 1 666.882 7.606 1 0 KKAFMN O=C(c1ccccc1)c1ccc2c(c1[O-])N[C@H](c1ccccc1)[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)O2 ZINC000028113321 561903371 /nfs/dbraw/zinc/90/33/71/561903371.db2.gz IMGVLHPPOZVQNA-NQVJXQQZSA-N 0 1 526.636 6.917 1 0 KKAFMN COc1cccc(CN(CCOc2ccc3ccn(S(=O)(=O)c4ccccc4)c3c2)Cc2cccc(OC)c2)c1 ZINC000028135961 561906613 /nfs/dbraw/zinc/90/66/13/561906613.db2.gz KABVIZGNGLEFOI-UHFFFAOYSA-N 0 1 556.684 5.977 1 0 KKAFMN CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 ZINC000028240950 561910379 /nfs/dbraw/zinc/91/03/79/561910379.db2.gz UACUPFJPFIOIQB-HEHNFIMWSA-N 0 1 515.679 5.067 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234928 561909523 /nfs/dbraw/zinc/90/95/23/561909523.db2.gz FNYIZIMOYQIGJZ-AWJLRTIGSA-N 0 1 574.734 5.200 1 0 KKAFMN NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000028396072 561923045 /nfs/dbraw/zinc/92/30/45/561923045.db2.gz RXXVGNIRWRKRRT-WJOKGBTCSA-N 0 1 653.768 6.557 1 0 KKAFMN O=C([O-])C[C@@H](c1ccc(-c2ccccc2)cc1)n1ccc2cc(OCCc3ccc4c([nH+]3)NCCC4)ccc21 ZINC000028467569 561926243 /nfs/dbraw/zinc/92/62/43/561926243.db2.gz XRZOOOHYYLVTTI-HKBQPEDESA-N 0 1 517.629 6.747 1 0 KKAFMN COc1cc2c(cc1N1C[C@@H](C)N(C)[C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2 ZINC000028524739 561930998 /nfs/dbraw/zinc/93/09/98/561930998.db2.gz NIWNFKULYGXYCB-SZPZYZBQSA-N 0 1 551.691 5.761 1 0 KKAFMN O=C([O-])[C@H]1CCCC[N@H+]1CCC=C(c1sccc1COC1CCCCC1)c1sccc1COC1CCCCC1 ZINC000028565641 561936178 /nfs/dbraw/zinc/93/61/78/561936178.db2.gz JYVOVAPKMWZXIZ-GDLZYMKVSA-N 0 1 571.849 8.269 1 0 KKAFMN O=C([O-])[C@@H]1CCC[N@@H+](CCC=C(c2sccc2COC2CCCCC2)c2sccc2COC2CCCCC2)C1 ZINC000028565783 561936237 /nfs/dbraw/zinc/93/62/37/561936237.db2.gz ANJKFCIPNGLMIF-XMMPIXPASA-N 0 1 571.849 8.127 1 0 KKAFMN CC(C)(C)c1nc(N2CCN(CCCCN3c4ccccc4SCCC3=O)CC2)cc(C(F)(F)F)n1 ZINC000028568303 561937248 /nfs/dbraw/zinc/93/72/48/561937248.db2.gz MGBCZDZRQGYLRL-UHFFFAOYSA-N 0 1 521.653 5.224 1 0 KKAFMN CC(=O)Nc1ccc(-c2cc(CN3[C@@H]4CC[C@H]3CN(Cc3ccnc(-c5ccc(NC(C)=O)cc5)c3)C4)ccn2)cc1 ZINC000028707570 561950144 /nfs/dbraw/zinc/95/01/44/561950144.db2.gz SKLPWWJIGOTWAF-MEKGRNQZSA-N 0 1 560.702 5.576 1 0 KKAFMN Cc1ccn2cc(-c3ccc(OCCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)nc2c1 ZINC000028711428 561951923 /nfs/dbraw/zinc/95/19/23/561951923.db2.gz JCVCZONIULCFAT-UHFFFAOYSA-N 0 1 509.481 6.598 1 0 KKAFMN CN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028759081 561957458 /nfs/dbraw/zinc/95/74/58/561957458.db2.gz FAMLZMYNJFMLTL-UHFFFAOYSA-N 0 1 607.598 8.501 1 0 KKAFMN COc1ccccc1C(=O)OCCc1c2ccccc2[nH]c1[C@H](c1cccc(Br)c1)c1c(O)cc(C)oc1=O ZINC000028820916 561966028 /nfs/dbraw/zinc/96/60/28/561966028.db2.gz JIAJGRUVTSNTEM-HHHXNRCGSA-N 0 1 588.454 6.486 1 0 KKAFMN C[C@@H](N[C@H](c1cc(-c2nnc([C@](C)(N)Cc3ccc(F)cc3)o2)cc(N(C)S(C)(=O)=O)c1)C(F)(F)F)c1ccc(F)cc1 ZINC000028824391 561969524 /nfs/dbraw/zinc/96/95/24/561969524.db2.gz PAWUWEMCXDNURH-ZSRPKCNMSA-N 0 1 623.648 5.781 1 0 KKAFMN O=C(NCCCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 ZINC000028869759 561973859 /nfs/dbraw/zinc/97/38/59/561973859.db2.gz MLUHKGHTLUYKBS-WJOKGBTCSA-N 0 1 512.097 6.410 1 0 KKAFMN O=C(Nc1ccc2cccnc2c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028870772 561974054 /nfs/dbraw/zinc/97/40/54/561974054.db2.gz VRPOCMQEHJZLCO-UHFFFAOYSA-N 0 1 506.798 6.248 1 0 KKAFMN C[C@H]1CN(CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028879180 561976147 /nfs/dbraw/zinc/97/61/47/561976147.db2.gz CKYOUSJBAOMLEO-UYDITSSVSA-N 0 1 582.113 5.455 1 0 KKAFMN O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCc1cc(nc(N3CCCC3)c1)CCCn1cc2c2ccccc21 ZINC000028881958 561977105 /nfs/dbraw/zinc/97/71/05/561977105.db2.gz LXUXFJHDJVXMGK-UHFFFAOYSA-N 0 1 555.682 5.737 1 0 KKAFMN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CCN4CCOCC4)cc3)c3ccccc23)cc1 ZINC000028899785 561979623 /nfs/dbraw/zinc/97/96/23/561979623.db2.gz KHOJCKYLSONCCN-UHFFFAOYSA-N 0 1 587.768 7.817 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2ccc3ccccc3c2)c1 ZINC000028949121 561980434 /nfs/dbraw/zinc/98/04/34/561980434.db2.gz XUBYXZHNJJOWHG-UHFFFAOYSA-N 0 1 506.602 6.512 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc3c(c2)OCO3)cc1 ZINC000028949141 561980455 /nfs/dbraw/zinc/98/04/55/561980455.db2.gz COCLDEIMTMDHQO-UHFFFAOYSA-N 0 1 500.551 5.087 1 0 KKAFMN CN(C(=O)Cn1c2cc(-c3nc(=O)o[n-]3)ccc2c(C2CCCCC2)c1-c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000028949700 561980722 /nfs/dbraw/zinc/98/07/22/561980722.db2.gz DSRLBJZTBBAOST-QHCPKHFHSA-N 0 1 513.642 5.274 1 0 KKAFMN CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)n1 ZINC000029042576 561991609 /nfs/dbraw/zinc/99/16/09/561991609.db2.gz WFHIMRZMKUCYOZ-UHFFFAOYSA-N 0 1 529.453 5.702 1 0 KKAFMN FC(F)(F)c1ccc2[nH]c(-c3ccc(OCCCCCOc4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)cc4)cc3)nc2c1 ZINC000029044601 561992250 /nfs/dbraw/zinc/99/22/50/561992250.db2.gz LOTLVYVWWUUYCE-UHFFFAOYSA-N 0 1 624.585 9.439 1 0 KKAFMN C[C@H]1C[N@@H+](C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000029126179 561998511 /nfs/dbraw/zinc/99/85/11/561998511.db2.gz VXOIRRPDOYHHNF-ZWANYAMLSA-N 0 1 528.693 5.053 1 0 KKAFMN CCNC(=O)Nc1nc2ccc(C(=O)Nc3cc(NC(=O)c4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)cc2s1 ZINC000029126754 561998909 /nfs/dbraw/zinc/99/89/09/561998909.db2.gz YWUVWFGRGVDWGG-UHFFFAOYSA-N 0 1 639.704 6.021 1 0 KKAFMN Nc1[nH]c(=O)nc2nc(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126829 561999108 /nfs/dbraw/zinc/99/91/08/561999108.db2.gz QGFDTTHSJZPGML-UHFFFAOYSA-N 0 1 543.631 5.127 1 0 KKAFMN COCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126993 561999215 /nfs/dbraw/zinc/99/92/15/561999215.db2.gz TZVRVTZSSPWUGF-UHFFFAOYSA-N 0 1 528.682 5.209 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(C(C)(C)C)oc5c(C)c4CC3)n2C)n1 ZINC000029127420 561999794 /nfs/dbraw/zinc/99/97/94/561999794.db2.gz MJLHCRFMFPSGBF-UHFFFAOYSA-N 0 1 554.764 6.669 1 0 KKAFMN CCc1nc2c(ccc3c2CCN(CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)o1 ZINC000029127325 561999811 /nfs/dbraw/zinc/99/98/11/561999811.db2.gz ZJBDUXLBLPXVOM-UHFFFAOYSA-N 0 1 512.683 5.625 1 0 KKAFMN CC(C)S(=O)(=O)n1c2cc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)ccc2nc1N(C)Cc1ccccc1 ZINC000029131052 562002854 /nfs/dbraw/zinc/00/28/54/562002854.db2.gz ZTTHFIQOSZGDPY-UHFFFAOYSA-N 0 1 597.691 7.261 1 0 KKAFMN CCCCCc1cc([O-])cc2c1C(=O)[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000029219061 562006907 /nfs/dbraw/zinc/00/69/07/562006907.db2.gz NNKPTRBXTNSWCK-ZQWAWDFXSA-N 0 1 529.677 6.795 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000029222934 562007466 /nfs/dbraw/zinc/00/74/66/562007466.db2.gz ONAKFVRVSCBFPV-NDEPHWFRSA-N 0 1 623.657 5.408 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000029223709 562007574 /nfs/dbraw/zinc/00/75/74/562007574.db2.gz ZYHPMMUOAAZPHR-NDEPHWFRSA-N 0 1 655.655 5.276 1 0 KKAFMN O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCCCCN2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029342531 562015636 /nfs/dbraw/zinc/01/56/36/562015636.db2.gz DUZDBSMMXWAKOU-CYTLCNBWSA-N 0 1 657.664 5.414 1 0 KKAFMN CCOC(=O)C1=C(COCCN2CCN(c3ccc(F)cc3)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029462967 562023400 /nfs/dbraw/zinc/02/34/00/562023400.db2.gz QIUWNYZCCWKEAE-MCKMWFOCSA-N 0 1 572.077 5.109 1 0 KKAFMN Nc1ccc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc32)cc1 ZINC000034608465 562039113 /nfs/dbraw/zinc/03/91/13/562039113.db2.gz JNTGBUJJXLSOMJ-UHFFFAOYSA-N 0 1 506.454 5.571 1 0 KKAFMN CCN1CC[C@@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000031871332 562036598 /nfs/dbraw/zinc/03/65/98/562036598.db2.gz HKSABFMJANGSMM-ZFEZZJPFSA-N 0 1 521.657 7.300 1 0 KKAFMN Cc1ccc(CN[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)o1 ZINC000036351611 562058842 /nfs/dbraw/zinc/05/88/42/562058842.db2.gz HANLAPNDBNRKKI-FTJBHMTQSA-N 0 1 554.613 5.404 1 0 KKAFMN CCOc1ccc(Cn2c3ccc(C(=O)N4CCC(C)CC4)cc3c3c2CCN(C2CCOCC2)C3)cc1 ZINC000036478722 562061005 /nfs/dbraw/zinc/06/10/05/562061005.db2.gz ZZPRUFQKSMSCLW-UHFFFAOYSA-N 0 1 515.698 5.498 1 0 KKAFMN C[C@@H]1CN(c2ncc(Br)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1 ZINC000038157608 562069263 /nfs/dbraw/zinc/06/92/63/562069263.db2.gz JFKZAACOMOMDJO-LLVKDONJSA-N 0 1 604.780 7.192 1 0 KKAFMN C[C@@H]1CN(c2ncccc2Br)CCN1c1nc2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1 ZINC000038157630 562069328 /nfs/dbraw/zinc/06/93/28/562069328.db2.gz XXIWXQGVLZUIOD-GFCCVEGCSA-N 0 1 570.335 6.539 1 0 KKAFMN CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)c3ccccc23)n1 ZINC000039205007 562072859 /nfs/dbraw/zinc/07/28/59/562072859.db2.gz VIHXUAKPZPXVSW-UHFFFAOYSA-N 0 1 527.510 7.165 1 0 in-vitro KKAFMN O=C([O-])Cn1ccc2c1cccc2OCCC[N@H+](Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000039716198 562073173 /nfs/dbraw/zinc/07/31/73/562073173.db2.gz RHWNXOWPCIQOAH-UHFFFAOYSA-N 0 1 621.099 8.501 1 0 in-vitro KKAFMN CC(C)C[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000040895527 562083045 /nfs/dbraw/zinc/08/30/45/562083045.db2.gz LGMKPRIBFIJWTC-TUMTZTIRSA-N 0 1 530.725 6.374 1 0 KKAFMN CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000040895527 562083047 /nfs/dbraw/zinc/08/30/47/562083047.db2.gz LGMKPRIBFIJWTC-TUMTZTIRSA-N 0 1 530.725 6.374 1 0 KKAFMN COc1ccc2c(c1)[C@H]1[C@@H](CC[N@@H+]1CCN(C)C)Cn1c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c1-2 ZINC000040935705 562085113 /nfs/dbraw/zinc/08/51/13/562085113.db2.gz VODSKNZEQBMLAF-PZGXJGMVSA-N 0 1 501.671 6.001 1 0 KKAFMN COc1ccc2c(c1)[C@H]1[C@@H](CC[N@H+]1CCN(C)C)Cn1c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c1-2 ZINC000040935705 562085114 /nfs/dbraw/zinc/08/51/14/562085114.db2.gz VODSKNZEQBMLAF-PZGXJGMVSA-N 0 1 501.671 6.001 1 0 KKAFMN CC(C)=CCC/C(C)=C/Cc1c(O)c2c(=O)c3c(oc2c2c1OC(C)(C)C=C2)-c1c2c(c(O)cc1O)OC(C)(C)[C@@H]2C3 ZINC000042803156 562088146 /nfs/dbraw/zinc/08/81/46/562088146.db2.gz UJHMTIUPFDVYQA-OJHVLRHSSA-N 0 1 570.682 7.807 1 0 KKAFMN CC(C)=CCC/C(C)=C/Cc1c(=O)c2c(O)c3c(oc-2c2c1OC(C)(C)C=C2)-c1c2c(c(O)cc1O)OC(C)(C)[C@@H]2C3 ZINC000042803156 562088148 /nfs/dbraw/zinc/08/81/48/562088148.db2.gz UJHMTIUPFDVYQA-OJHVLRHSSA-N 0 1 570.682 7.807 1 0 KKAFMN COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C)C[C@@H](C2)N3)cc1 ZINC000042806979 562089983 /nfs/dbraw/zinc/08/99/83/562089983.db2.gz MSCHGOQQFZZRLE-DLFZDVPBSA-N 0 1 590.164 5.422 1 0 KKAFMN CCc1cc2c([nH]1)CCc1c(CCc3c(=O)c(OC)c(O)c4c(O)cc(-c5ccc(O)cc5)oc3-4)cccc1-2 ZINC000103533326 560050889 /nfs/dbraw/zinc/05/08/89/560050889.db2.gz CXJAWQUIUNHJHV-UHFFFAOYSA-N 0 1 522.577 5.813 1 0 biogenic,in-vitro KKAFMN COc1cc(CCC(=O)C=C(O)CCCC2CCCCC2)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631532 560067784 /nfs/dbraw/zinc/06/77/84/560067784.db2.gz IEUSJIQVTQLLCQ-UBOZLPQGSA-N 0 1 574.742 5.687 1 0 biogenic,in-vitro KKAFMN CC(C)=CCc1c2c(c(O)c3c(=O)c(CC=C(C)C)c(-c4ccc(O)cc4O)oc13)C[C@H](C(C)(C)O)O2 ZINC000013373204 560215283 /nfs/dbraw/zinc/21/52/83/560215283.db2.gz YJANCZZITMMVGS-HSZRJFAPSA-N 0 1 506.595 5.669 1 0 biogenic,in-vitro KKAFMN O=C(N[C@@H](Cc1cnc[nH]1)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2ccccc21 ZINC000043065928 562645356 /nfs/dbraw/zinc/64/53/56/562645356.db2.gz WMYSVTHOKCTZBS-QNGWXLTQSA-N 0 1 619.721 7.395 1 0 KKAFMN O=C([O-])CCCC[N@H+]1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043065620 562645377 /nfs/dbraw/zinc/64/53/77/562645377.db2.gz MUVZBOJFQKTBTP-RVDMUPIBSA-N 0 1 550.102 7.675 1 0 KKAFMN O=C([O-])/C=C/C[N@@H+]1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043119989 562646051 /nfs/dbraw/zinc/64/60/51/562646051.db2.gz ZFQPMHOCTSJGGH-VDIYVKJESA-N 0 1 534.059 7.061 1 0 KKAFMN O=C([O-])/C=C/C[N@H+]1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043119989 562646052 /nfs/dbraw/zinc/64/60/52/562646052.db2.gz ZFQPMHOCTSJGGH-VDIYVKJESA-N 0 1 534.059 7.061 1 0 KKAFMN Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCc3nn[nH]n3)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000043174814 562646615 /nfs/dbraw/zinc/64/66/15/562646615.db2.gz ZQTIEFGJUPAYBC-SANMLTNESA-N 0 1 565.640 7.174 1 0 KKAFMN Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccnc(Cc3cccc(F)c3C)c2n1-c1ccccc1 ZINC000043206829 562647107 /nfs/dbraw/zinc/64/71/07/562647107.db2.gz HRNAWJYGEYBSRZ-UHFFFAOYSA-N 0 1 550.653 6.148 1 0 KKAFMN CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CC)[C@]1(C)C4=CCC(C(=O)OC)=C1C(=O)OC)c(C)c3CC ZINC000043504308 562648727 /nfs/dbraw/zinc/64/87/27/562648727.db2.gz ZUBNUJWKGLODPE-LHEWISCISA-N 0 1 618.778 7.592 1 0 KKAFMN CCc1c(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)[C@]1(C)C5=CCC(C(=O)OC)=C1C(=O)OC)c(C)c4CC)c(C)c3CC ZINC000043504308 562648728 /nfs/dbraw/zinc/64/87/28/562648728.db2.gz ZUBNUJWKGLODPE-LHEWISCISA-N 0 1 618.778 7.592 1 0 KKAFMN O=C1CC[C@](CCN2CC(N3CCO[C@H](c4ccccc4)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000043911093 562651194 /nfs/dbraw/zinc/65/11/94/562651194.db2.gz YBYSBOXLPMEIAC-CQTOTRCISA-N 0 1 578.584 6.202 1 0 KKAFMN C[C@H]1CN(CC2CC2)CCN1C(=O)OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044087065 562652290 /nfs/dbraw/zinc/65/22/90/562652290.db2.gz ZIDJCKAKCGREPA-KSCXJQRSSA-N 0 1 608.151 5.988 1 0 KKAFMN COc1ccnc(CSc2nc3cc(-c4ccc5nc(SCc6nccc(OC)c6OC)[nH]c5c4)ccc3[nH]2)c1OC ZINC000044307081 562653965 /nfs/dbraw/zinc/65/39/65/562653965.db2.gz HMHDTAYXNLPCEI-UHFFFAOYSA-N 0 1 600.726 6.515 1 0 KKAFMN COc1ccnc(CSc2nc3ccc(-c4ccc5nc(SCc6nccc(OC)c6OC)[nH]c5c4)cc3[nH]2)c1OC ZINC000044307081 562653966 /nfs/dbraw/zinc/65/39/66/562653966.db2.gz HMHDTAYXNLPCEI-UHFFFAOYSA-N 0 1 600.726 6.515 1 0 KKAFMN CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000044350649 562654331 /nfs/dbraw/zinc/65/43/31/562654331.db2.gz OUTFXOAVNANEPM-XAGDYJCDSA-N 0 1 555.763 6.366 1 0 KKAFMN CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000044350649 562654332 /nfs/dbraw/zinc/65/43/32/562654332.db2.gz OUTFXOAVNANEPM-XAGDYJCDSA-N 0 1 555.763 6.366 1 0 KKAFMN COc1cccc(S(=O)(=O)N(Cc2cccs2)C[C@@H](O)[C@H](Cc2ccccc2)Nc2cc(F)c(F)c(O)c2F)c1 ZINC000044419029 562657409 /nfs/dbraw/zinc/65/74/09/562657409.db2.gz SFBJOSRJJBGAGJ-UKILVPOCSA-N 0 1 592.661 5.155 1 0 KKAFMN Cc1cc2[nH]c(-c3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)cc3)nc2cc1Cl ZINC000045189052 562658369 /nfs/dbraw/zinc/65/83/69/562658369.db2.gz NADLJHUJKCFRKS-UHFFFAOYSA-N 0 1 522.480 5.787 1 0 KKAFMN CN1CCN(c2ccc3[nH]c(-c4ccc(Cc5cc(Cl)ccc5OCc5ccccc5)o4)nc3c2)CC1 ZINC000045202759 562659190 /nfs/dbraw/zinc/65/91/90/562659190.db2.gz XDERAFJBCIXZMV-UHFFFAOYSA-N 0 1 513.041 6.398 1 0 KKAFMN COc1ccc(NC(=O)[C@H](Cc2ccccc2)Nc2cc(C)nc(NCCc3ccccc3OC)n2)cc1 ZINC000045228100 562659446 /nfs/dbraw/zinc/65/94/46/562659446.db2.gz TVOGVADXNHIUJW-SANMLTNESA-N 0 1 511.626 5.119 1 0 KKAFMN C[C@@H](CCCCCC[C@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3)C(=O)[O-] ZINC000045245917 562659818 /nfs/dbraw/zinc/65/98/18/562659818.db2.gz COZHNMYHYJDWAU-XESKADFSSA-N 0 1 523.758 7.148 1 0 KKAFMN CC(C)c1nc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)[nH]c1=O ZINC000045291252 562660355 /nfs/dbraw/zinc/66/03/55/562660355.db2.gz ZLKPEAGWQXRCSO-UHFFFAOYSA-N 0 1 519.649 5.707 1 0 KKAFMN CN1CCN(c2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn32)CC1 ZINC000045291622 562660372 /nfs/dbraw/zinc/66/03/72/562660372.db2.gz HNKRMPJIWHKDDU-UHFFFAOYSA-N 0 1 529.670 5.897 1 0 KKAFMN CN1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)Oc5ccccc5)cc3)c4N)cc2)CC1 ZINC000049036267 562663578 /nfs/dbraw/zinc/66/35/78/562663578.db2.gz QPSCCNWGOLMGKW-UHFFFAOYSA-N 0 1 519.609 5.008 1 0 KKAFMN CN1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)Oc5ccccc5)cc3)c4N)c2)CC1 ZINC000049046932 562663715 /nfs/dbraw/zinc/66/37/15/562663715.db2.gz RNRCLARSVNONBS-UHFFFAOYSA-N 0 1 519.609 5.008 1 0 KKAFMN O=C(CSc1nc(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n[nH]1)c1ccccc1 ZINC000049112706 562664591 /nfs/dbraw/zinc/66/45/91/562664591.db2.gz DFNRDAOYVQYICV-UHFFFAOYSA-N 0 1 514.426 5.042 1 0 KKAFMN FC(F)(F)c1ccc2nc(-c3cccc(-c4ccc(CNCc5cnn(-c6ccccc6)n5)cc4)c3)[nH]c2c1 ZINC000049604937 562665094 /nfs/dbraw/zinc/66/50/94/562665094.db2.gz WIUGXKFJDPSVFB-UHFFFAOYSA-N 0 1 524.550 6.786 1 0 KKAFMN CC(C)(C[NH2+]Cc1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccnc(N)n2)[nH]1 ZINC000049604995 562665183 /nfs/dbraw/zinc/66/51/83/562665183.db2.gz FMMMGYSXVUFDRI-UHFFFAOYSA-N 0 1 541.055 6.335 1 0 KKAFMN CC(C)(C[NH2+]Cc1cccc(Oc2ccccc2)c1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049604995 562665184 /nfs/dbraw/zinc/66/51/84/562665184.db2.gz FMMMGYSXVUFDRI-UHFFFAOYSA-N 0 1 541.055 6.335 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605027 562665207 /nfs/dbraw/zinc/66/52/07/562665207.db2.gz OFVSQCJEUHXQPB-WUXMJOGZSA-N 0 1 571.471 6.552 1 0 KKAFMN CC(=O)Nc1ccc(C[N@@H+]2CCc3ccc([N-]S(=O)(=O)c4cccc(OCc5ccc(Cl)cc5)c4)cc3CC2)s1 ZINC000049605083 562665349 /nfs/dbraw/zinc/66/53/49/562665349.db2.gz YTMSPHSNASRQIH-UHFFFAOYSA-N 0 1 596.174 6.341 1 0 KKAFMN CC(=O)Nc1ccc(C[N@H+]2CCc3ccc([N-]S(=O)(=O)c4cccc(OCc5ccc(Cl)cc5)c4)cc3CC2)s1 ZINC000049605083 562665350 /nfs/dbraw/zinc/66/53/50/562665350.db2.gz YTMSPHSNASRQIH-UHFFFAOYSA-N 0 1 596.174 6.341 1 0 KKAFMN COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1N1CC[NH+](CC2CC2)CC1 ZINC000049605172 562665466 /nfs/dbraw/zinc/66/54/66/562665466.db2.gz KNFGWIWGTIFIRX-UHFFFAOYSA-N 0 1 604.651 5.179 1 0 KKAFMN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCCN1CCN(c2ccccc2OC)CC1 ZINC000049605473 562665927 /nfs/dbraw/zinc/66/59/27/562665927.db2.gz FRUHZCPDYCIFKN-CZPVMAHZSA-N 0 1 557.522 5.745 1 0 KKAFMN COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OCc3ccc(Br)cc3)cc1)CC[N@@H+](C1CCC1)CC2 ZINC000049639109 562667613 /nfs/dbraw/zinc/66/76/13/562667613.db2.gz YNIPKLFLENFCFN-UHFFFAOYSA-N 0 1 571.537 5.791 1 0 KKAFMN COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OCc3ccc(Br)cc3)cc1)CC[N@H+](C1CCC1)CC2 ZINC000049639109 562667614 /nfs/dbraw/zinc/66/76/14/562667614.db2.gz YNIPKLFLENFCFN-UHFFFAOYSA-N 0 1 571.537 5.791 1 0 KKAFMN COc1ccc([C@H](CNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049678765 562668667 /nfs/dbraw/zinc/66/86/67/562668667.db2.gz PDSUGZQHFWZCJV-FIPFOOKPSA-N 0 1 614.743 5.449 1 0 KKAFMN CCCCCCN1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049694404 562669315 /nfs/dbraw/zinc/66/93/15/562669315.db2.gz GKGWRALXTFQWFR-FKAPRUDGSA-N 0 1 576.749 6.568 1 0 KKAFMN C[C@@H](CC[N@H+](Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1)Oc1cccc(CC(=O)[O-])c1 ZINC000049695187 562670267 /nfs/dbraw/zinc/67/02/67/562670267.db2.gz XFIORQLIQIPEBM-DEOSSOPVSA-N 0 1 596.089 8.478 1 0 KKAFMN CC(C)(CNC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049723289 562673138 /nfs/dbraw/zinc/67/31/38/562673138.db2.gz PBDZLXXLJJBEML-UHFFFAOYSA-N 0 1 608.570 6.336 1 0 KKAFMN O=C(Nc1ccc(C(=O)OCC(c2ccccc2)c2ccccc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000049723304 562673216 /nfs/dbraw/zinc/67/32/16/562673216.db2.gz ZODMUAAVGKXMFB-RIEGYYRVSA-N 0 1 698.820 6.210 1 0 KKAFMN CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000049756555 562675113 /nfs/dbraw/zinc/67/51/13/562675113.db2.gz MRMMGDLQIQYRDA-HODKFENTSA-N 0 1 590.798 5.610 1 0 KKAFMN CN1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)c5ccc(C(F)(F)F)cc5)cc3)c4N)c2)CC1 ZINC000049777350 562679951 /nfs/dbraw/zinc/67/99/51/562679951.db2.gz PHVRYQBXECZHNT-UHFFFAOYSA-N 0 1 571.607 5.668 1 0 KKAFMN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccnc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049802148 562685495 /nfs/dbraw/zinc/68/54/95/562685495.db2.gz OUUBFURQCNHLLS-YTTGMZPUSA-N 0 1 623.867 5.973 1 0 KKAFMN Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049852130 562688828 /nfs/dbraw/zinc/68/88/28/562688828.db2.gz XWAXDNIZFDHSSU-RUZDIDTESA-N 0 1 593.128 5.519 1 0 KKAFMN C[C@H]1CCC[N@@H+](CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)C1 ZINC000049853700 562689050 /nfs/dbraw/zinc/68/90/50/562689050.db2.gz RCTCDFOAGDHGEB-LJAQVGFWSA-N 0 1 714.328 7.446 1 0 KKAFMN COc1ccnc(CSc2nc3cc(-c4ccc5nc(SCc6nccc(OC)c6C)[nH]c5c4)ccc3[nH]2)c1C ZINC000049877791 562690275 /nfs/dbraw/zinc/69/02/75/562690275.db2.gz KDVGNRRXHUHAMG-UHFFFAOYSA-N 0 1 568.728 7.115 1 0 KKAFMN COc1ccnc(CSc2nc3ccc(-c4ccc5nc(SCc6nccc(OC)c6C)[nH]c5c4)cc3[nH]2)c1C ZINC000049877791 562690276 /nfs/dbraw/zinc/69/02/76/562690276.db2.gz KDVGNRRXHUHAMG-UHFFFAOYSA-N 0 1 568.728 7.115 1 0 KKAFMN O=C(C=Cc1ccc(Sc2ccccc2OCc2cnc[nH]2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 ZINC000049881515 562690887 /nfs/dbraw/zinc/69/08/87/562690887.db2.gz VZSWCQOTQDDSHT-SOFGYWHQSA-N 0 1 557.516 6.050 1 0 KKAFMN C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049889376 562692042 /nfs/dbraw/zinc/69/20/42/562692042.db2.gz UQPGEMRGMILDTH-GDLZYMKVSA-N 0 1 714.328 7.588 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)Nc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000053050559 562696117 /nfs/dbraw/zinc/69/61/17/562696117.db2.gz FWYVIDHPTFCOBL-UHFFFAOYSA-N 0 1 601.614 5.107 1 0 KKAFMN COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 ZINC000053178310 562696397 /nfs/dbraw/zinc/69/63/97/562696397.db2.gz SMRCIXIIGDJROI-UHFFFAOYSA-N 0 1 528.705 5.497 1 0 KKAFMN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C)cc3)cc1)CC2 ZINC000053226696 562696596 /nfs/dbraw/zinc/69/65/96/562696596.db2.gz YZRFXVQCBQMVFL-PMERELPUSA-N 0 1 531.741 6.219 1 0 KKAFMN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 ZINC000053230937 562696769 /nfs/dbraw/zinc/69/67/69/562696769.db2.gz OZJZLSFHVWYGCM-PMERELPUSA-N 0 1 547.740 5.920 1 0 KKAFMN CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(F)cc3)cc1)CC2 ZINC000053242708 562696771 /nfs/dbraw/zinc/69/67/71/562696771.db2.gz VURBJJWGUCRDTO-LJAQVGFWSA-N 0 1 535.704 6.050 1 0 KKAFMN CN1CCN(c2cnc3c(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)c(F)c4)ccnc3n2)CC1 ZINC000058538038 562698784 /nfs/dbraw/zinc/69/87/84/562698784.db2.gz FYJYZQYGCSFZQW-UHFFFAOYSA-N 0 1 559.499 5.510 1 0 KKAFMN CCCC(=O)N(Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2F)cc1)[C@H](C(=O)NC(C)C)C(C)C ZINC000058575920 562699624 /nfs/dbraw/zinc/69/96/24/562699624.db2.gz SXCHKYJSYSDMGD-MHZLTWQESA-N 0 1 572.703 5.268 1 0 KKAFMN O=C1N(c2cccc(Cl)c2)[C@H](c2ccccn2)C12CCN(c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)CC2 ZINC000058603499 562700880 /nfs/dbraw/zinc/70/08/80/562700880.db2.gz BPPDNWBUKUHLNZ-JOCHJYFZSA-N 0 1 529.925 6.144 1 0 KKAFMN COc1ccc([N-]S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000058621719 562701101 /nfs/dbraw/zinc/70/11/01/562701101.db2.gz XGBXESVSCSHHQI-IBGZPJMESA-N 0 1 506.093 5.347 1 0 KKAFMN CCCCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=Nc1ccc(OCCCC)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000059033357 562701626 /nfs/dbraw/zinc/70/16/26/562701626.db2.gz JLMJSZDPFXZNPI-RUZDIDTESA-N 0 1 578.794 8.094 1 0 KKAFMN CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccc4)ccc3Cl)sc2c1 ZINC000059244336 562701928 /nfs/dbraw/zinc/70/19/28/562701928.db2.gz OHOZLCLODUUATN-UHFFFAOYSA-N 0 1 574.128 5.208 1 0 KKAFMN CCN(CC)CCN=[S@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059287885 562701992 /nfs/dbraw/zinc/70/19/92/562701992.db2.gz NOBFIFQEUVJBSH-DIPNUNPCSA-N 0 1 562.523 5.692 1 0 KKAFMN Cc1ccccc1[C@H](c1ncccc1C)N(C)C(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061906048 562703027 /nfs/dbraw/zinc/70/30/27/562703027.db2.gz SMHWNDJHYPROPY-MUUNZHRXSA-N 0 1 526.508 6.344 3 0 KKAFMN O=C1NC(=O)C(=C(C=Cc2c3cc(Cl)ccc3[nH]c2-c2ccccc2)c2ccc(Cl)cc2)C(=O)N1 ZINC000064503338 562705995 /nfs/dbraw/zinc/70/59/95/562705995.db2.gz AQPZTJRTKUTBNF-VAWYXSNFSA-N 0 1 502.357 6.815 1 0 KKAFMN CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(OC/C=C(\C)CCC=C(C)C)c2=O ZINC000064504086 562706135 /nfs/dbraw/zinc/70/61/35/562706135.db2.gz PGWZSRXDPLOEDZ-RPCRKUJJSA-N 0 1 558.715 9.014 1 0 KKAFMN CN(C)Cc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1 ZINC000066123464 562712520 /nfs/dbraw/zinc/71/25/20/562712520.db2.gz WYRQQURJJXPEAL-XMMPIXPASA-N 0 1 552.597 5.590 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000066139089 562713414 /nfs/dbraw/zinc/71/34/14/562713414.db2.gz HPUMWFTUTXMAAY-RLYJWURVSA-N 0 1 613.780 5.507 3 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000066148771 562713657 /nfs/dbraw/zinc/71/36/57/562713657.db2.gz AGQRDMGTSVKJPI-GTNJKRJXSA-N 0 1 599.654 5.025 3 0 KKAFMN CC(C)=CCC/C(C)=C/COc1cc2oc(-c3ccccc3)cc(O)c-2c(=O)c1OC/C=C(\C)CCC=C(C)C ZINC000071280882 562716591 /nfs/dbraw/zinc/71/65/91/562716591.db2.gz HUJHLPJSELMVRD-BFNWXZRRSA-N 0 1 542.716 9.309 1 0 KKAFMN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nc(=S)o[n-]3)c2)CC1 ZINC000071294871 562717031 /nfs/dbraw/zinc/71/70/31/562717031.db2.gz WHZHFIXHFVIZHI-BETPUDKTSA-N 0 1 632.834 7.116 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccc(C(=O)[O-])c(NC(=O)c4ccc5ncccc5c4)c3)cc1)CC2 ZINC000071295183 562717130 /nfs/dbraw/zinc/71/71/30/562717130.db2.gz FKSZETRAJNMSIC-UHFFFAOYSA-N 0 1 630.701 6.056 1 0 KKAFMN COc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000071334638 562719652 /nfs/dbraw/zinc/71/96/52/562719652.db2.gz QFGLZVPTFMTCKV-UJLHVFMHSA-N 0 1 569.061 6.132 1 0 KKAFMN c1ccc2c(c1)Cc1c-2nc2ccccc2c1NCCCCCCCNc1c2c(nc3ccccc31)-c1ccccc1C2 ZINC000072113363 562722353 /nfs/dbraw/zinc/72/23/53/562722353.db2.gz NQXQNWAFOUTKOY-UHFFFAOYSA-N 0 1 560.745 9.400 1 0 KKAFMN CCN1CCN(Cc2cc(NC(=O)Nc3ccc(C(=O)Nc4cnn(Cc5ccc(OC)cc5)c4N)c(C)c3)cc(C(F)(F)F)c2)CC1 ZINC000072122183 562724480 /nfs/dbraw/zinc/72/44/80/562724480.db2.gz MZRFKQKFMIGNHV-UHFFFAOYSA-N 0 1 664.733 5.883 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000072136094 562727760 /nfs/dbraw/zinc/72/77/60/562727760.db2.gz VLUBEHZZNKTZLC-RWYJCYHVSA-N 0 1 603.522 6.129 1 0 KKAFMN Cc1cccnc1[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072136537 562728012 /nfs/dbraw/zinc/72/80/12/562728012.db2.gz WFTORSOXVDSRQK-HHHXNRCGSA-N 0 1 530.471 6.175 3 0 KKAFMN O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137864 562728445 /nfs/dbraw/zinc/72/84/45/562728445.db2.gz ZUFKXVUREMYOOB-LJAQVGFWSA-N 0 1 552.477 6.677 3 0 KKAFMN O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000072138377 562728754 /nfs/dbraw/zinc/72/87/54/562728754.db2.gz SGXJPGOGXFONHH-LJAQVGFWSA-N 0 1 530.594 6.280 3 0 KKAFMN CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cccc(OC)c3)n[nH]c2-c2ccccc2)cc1 ZINC000072173137 562730817 /nfs/dbraw/zinc/73/08/17/562730817.db2.gz IMXODAOFWBSHSV-UHFFFAOYSA-N 0 1 503.668 6.006 1 0 KKAFMN COc1c(C)cnc(C[S@](=O)c2nc3cc(NC(=O)c4ccco4)c(Oc4ccccc4)cc3[nH]2)c1C ZINC000072174695 562731155 /nfs/dbraw/zinc/73/11/55/562731155.db2.gz OACBBNYUHLVUOC-DIPNUNPCSA-N 0 1 516.579 5.529 1 0 KKAFMN Cc1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136603 562738930 /nfs/dbraw/zinc/73/89/30/562738930.db2.gz CTGSOWJIAUEWCB-YTTGMZPUSA-N 0 1 675.758 5.611 1 0 KKAFMN CC(C)c1c(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082154898 562740418 /nfs/dbraw/zinc/74/04/18/562740418.db2.gz NMPLROITLQYWAS-WOXYUUSFSA-N 0 1 504.759 6.402 1 0 KKAFMN CCN1CCN(C[C@@H]2S[C@@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157520 562740963 /nfs/dbraw/zinc/74/09/63/562740963.db2.gz UUJNEICCDMYHRP-SHUZPENHSA-N 0 1 705.889 5.419 1 0 KKAFMN CCN1CCN(C[C@@H]2S[C@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164953 562741347 /nfs/dbraw/zinc/74/13/47/562741347.db2.gz ANPQBASXSZBVPK-AFPLUKJUSA-N 0 1 709.852 5.249 1 0 KKAFMN CCN1CCN(C[C@@H]2S[C@@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165064 562741367 /nfs/dbraw/zinc/74/13/67/562741367.db2.gz YPTCVVCGFGDLDX-VBTAUBHQSA-N 0 1 709.852 5.249 1 0 KKAFMN COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3Cl)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 ZINC000084615116 562744440 /nfs/dbraw/zinc/74/44/40/562744440.db2.gz SIMOVLXVNFYMQI-NSHDSACASA-N 0 1 522.886 5.659 1 0 KKAFMN CNc1nc2ccc(C)cc2c(NCc2ccc(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cc2)n1 ZINC000084616867 562744679 /nfs/dbraw/zinc/74/46/79/562744679.db2.gz YXPQMNZUCFFYIX-UHFFFAOYSA-N 0 1 512.633 5.126 1 0 KKAFMN CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc4c(c(F)c3)NCC43CCC(F)(F)CC3)[C@@H]2O)c1 ZINC000084654025 562747126 /nfs/dbraw/zinc/74/71/26/562747126.db2.gz YSVPVGYQIWTLEZ-UDZXTKBFSA-N 0 1 564.714 5.102 1 0 in-vitro KKAFMN O=C([O-])[C@H](Cc1ccc(OCCc2cccc(NC3CCCC3)[nH+]2)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084654773 562747291 /nfs/dbraw/zinc/74/72/91/562747291.db2.gz XOZRHQVPPRGARQ-DEOSSOPVSA-N 0 1 542.463 5.790 1 0 KKAFMN O=C([O-])[C@H](Cc1ccc(OCCc2cccc(NCC3CC3)[nH+]2)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084654771 562747316 /nfs/dbraw/zinc/74/73/16/562747316.db2.gz JIYOXFLRVUFAQT-QHCPKHFHSA-N 0 1 528.436 5.258 1 0 KKAFMN CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2C)[nH+]1 ZINC000084655500 562747524 /nfs/dbraw/zinc/74/75/24/562747524.db2.gz FAEHBENUBLUAIB-NRFANRHFSA-N 0 1 516.425 5.094 1 0 KKAFMN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1Cl ZINC000084756694 562752283 /nfs/dbraw/zinc/75/22/83/562752283.db2.gz YPCRUJMGDCLYRX-UHFFFAOYSA-N 0 1 576.284 8.252 1 0 KKAFMN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1Cl ZINC000084757045 562752345 /nfs/dbraw/zinc/75/23/45/562752345.db2.gz YLMBDLILZJVQAF-UHFFFAOYSA-N 0 1 542.732 7.887 1 0 KKAFMN COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(C)cc6)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000095536709 562754061 /nfs/dbraw/zinc/75/40/61/562754061.db2.gz DRQHEEXWOUGFAE-WGYIJZORSA-N 0 1 774.779 6.405 1 0 KKAFMN CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)NCc1ccccn1 ZINC000095541935 562756417 /nfs/dbraw/zinc/75/64/17/562756417.db2.gz ATVAFUOHBKPGNW-RVGRUIDQSA-N 0 1 802.037 6.160 1 0 KKAFMN C[C@@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548800 562759511 /nfs/dbraw/zinc/75/95/11/562759511.db2.gz PUWXIJWAYYMLGI-ALGJUVBXSA-N 0 1 788.864 5.797 1 0 KKAFMN CC(C)[C@H](NC(=O)[C@H](NCCc1cc2ccccc2[nH]1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 ZINC000095558008 562762280 /nfs/dbraw/zinc/76/22/80/562762280.db2.gz WYNCAJGPRWRKFD-WVBQXTTCSA-N 0 1 788.990 5.165 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)Nc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1 ZINC000095558836 562762545 /nfs/dbraw/zinc/76/25/45/562762545.db2.gz JBCJJEHPSVVXAK-UHFFFAOYSA-N 0 1 623.705 6.507 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566635 562765123 /nfs/dbraw/zinc/76/51/23/562765123.db2.gz HSYUUPPAKBJHIW-SGHJWQDXSA-N 0 1 628.648 5.430 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567324 562765677 /nfs/dbraw/zinc/76/56/77/562765677.db2.gz AOGINIYPPPQZNW-QKPBDYBRSA-N 0 1 702.856 5.546 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567478 562765850 /nfs/dbraw/zinc/76/58/50/562765850.db2.gz YUKCNNACWFASQX-BCDQWZCSSA-N 0 1 628.648 5.430 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095568643 562766817 /nfs/dbraw/zinc/76/68/17/562766817.db2.gz XHCFGJIATIGRMD-UTKFAANNSA-N 0 1 650.780 5.517 1 0 KKAFMN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095570238 562768023 /nfs/dbraw/zinc/76/80/23/562768023.db2.gz XHKHZLHSPYTKDF-MJZSVGSSSA-N 0 1 690.838 5.965 3 0 KKAFMN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095570822 562768553 /nfs/dbraw/zinc/76/85/53/562768553.db2.gz RPRLDAPZKHIQPO-MZXMJASYSA-N 0 1 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C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599530 562778122 /nfs/dbraw/zinc/77/81/22/562778122.db2.gz LZRMYYQDLQFCEK-LFSBMLFJSA-N 0 1 728.809 7.006 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599988 562778531 /nfs/dbraw/zinc/77/85/31/562778531.db2.gz JUEHVKXRGUAEIX-MEEIBLSFSA-N 0 1 753.690 8.584 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600713 562779156 /nfs/dbraw/zinc/77/91/56/562779156.db2.gz ORCUQVZUTYUDHO-SEXOINJZSA-N 0 1 585.532 5.990 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095601310 562779561 /nfs/dbraw/zinc/77/95/61/562779561.db2.gz NLLHBBQRIGOQNO-SNCSJZQCSA-N 0 1 641.813 5.392 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095601981 562779861 /nfs/dbraw/zinc/77/98/61/562779861.db2.gz LGFCYAUQAJYOOY-XDAUYTPDSA-N 0 1 711.869 6.495 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603349 562780460 /nfs/dbraw/zinc/78/04/60/562780460.db2.gz ZKPAWGOFKUDAFA-FYZNHFMZSA-N 0 1 685.788 6.672 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604643 562781182 /nfs/dbraw/zinc/78/11/82/562781182.db2.gz BXFZIXJRVHHTCE-BWLKTWDLSA-N 0 1 678.336 6.448 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604643 562781183 /nfs/dbraw/zinc/78/11/83/562781183.db2.gz BXFZIXJRVHHTCE-BWLKTWDLSA-N 0 1 678.336 6.448 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095605754 562781714 /nfs/dbraw/zinc/78/17/14/562781714.db2.gz JUEHVKXRGUAEIX-YIQPJHJLSA-N 0 1 753.690 8.584 1 0 KKAFMN CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000095606410 562782074 /nfs/dbraw/zinc/78/20/74/562782074.db2.gz MRFRACBBILXIMQ-JYIZODLMSA-N 0 1 632.865 7.206 1 0 KKAFMN CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000095606410 562782075 /nfs/dbraw/zinc/78/20/75/562782075.db2.gz MRFRACBBILXIMQ-JYIZODLMSA-N 0 1 632.865 7.206 1 0 KKAFMN Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)[C@H](N)CO)cc3)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095614575 562786745 /nfs/dbraw/zinc/78/67/45/562786745.db2.gz PZAQSNXCLNHCHR-TZWQOCTPSA-N 0 1 764.974 9.217 1 0 KKAFMN COc1cc2c(cc1OCCCN1CCN(CCCOc3cc4c(cc3OC)C(=O)N3CC(=C(F)F)C[C@H]3C=N4)CC1)N=C[C@@H]1CC(=C(F)F)CN1C2=O ZINC000095615010 562786988 /nfs/dbraw/zinc/78/69/88/562786988.db2.gz LKEXXJWCSOWFBU-UIOOFZCWSA-N 0 1 754.782 5.721 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095846276 562789501 /nfs/dbraw/zinc/78/95/01/562789501.db2.gz HPUMWFTUTXMAAY-ZJDJHBDQSA-N 0 1 613.780 5.507 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2C(F)(F)F)OCc2ccccc2-c2ccccc2C1=O ZINC000095867121 562789796 /nfs/dbraw/zinc/78/97/96/562789796.db2.gz FDAULICGQFNBRP-IEOSBIPESA-N 0 1 540.626 5.862 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869069 562789981 /nfs/dbraw/zinc/78/99/81/562789981.db2.gz GFQKDUOYURHVMT-IQLGONJTSA-N 0 1 543.683 5.474 1 0 KKAFMN CC(C)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](CN(C)Cc2ccc(Cl)cc2)[C@H]1C ZINC000095872164 562790024 /nfs/dbraw/zinc/79/00/24/562790024.db2.gz DIHBGHFRRATSBS-KBMIEXCESA-N 0 1 507.034 5.119 1 0 KKAFMN COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3)nc12 ZINC000096169838 562790875 /nfs/dbraw/zinc/79/08/75/562790875.db2.gz GZWAVMOEACERMF-UHFFFAOYSA-N 0 1 552.601 5.435 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4c(C)c(OC)cc(C)c4Cl)c4nccnc34)nc2)CC1 ZINC000096173414 562791414 /nfs/dbraw/zinc/79/14/14/562791414.db2.gz PEUFIKJSIMEVCZ-UHFFFAOYSA-N 0 1 545.087 5.360 1 0 KKAFMN Fc1ccccc1N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096173997 562791588 /nfs/dbraw/zinc/79/15/88/562791588.db2.gz CAGKRJGVFHKFPN-UHFFFAOYSA-N 0 1 503.585 5.515 1 0 KKAFMN COCC[N@@H+]1CC[C@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175759 562791990 /nfs/dbraw/zinc/79/19/90/562791990.db2.gz KEQFQZOUNFMJHA-QHCPKHFHSA-N 0 1 661.829 5.442 1 0 KKAFMN COCC[N@H+]1CC[C@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175759 562791991 /nfs/dbraw/zinc/79/19/91/562791991.db2.gz KEQFQZOUNFMJHA-QHCPKHFHSA-N 0 1 661.829 5.442 1 0 KKAFMN CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)C3CN(C)C3)CC1)C2 ZINC000096177898 562792494 /nfs/dbraw/zinc/79/24/94/562792494.db2.gz PKNIWALQPVKUCD-UHFFFAOYSA-N 0 1 696.274 5.095 1 0 KKAFMN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(CC)c2ccc(F)cc2)c[nH+]1 ZINC000096273526 562794536 /nfs/dbraw/zinc/79/45/36/562794536.db2.gz HJVXPUDBIZSBTO-VWLOTQADSA-N 0 1 564.662 5.322 1 0 KKAFMN CC(C)Oc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)[nH+]ccc3c2)n1 ZINC000096283225 562794807 /nfs/dbraw/zinc/79/48/07/562794807.db2.gz OZZMVGJQVVRCDZ-UHFFFAOYSA-N 0 1 555.635 5.393 1 0 KKAFMN Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CCN(C2CCCCC2)C3)cc2c[nH]nc21 ZINC000096284741 562795311 /nfs/dbraw/zinc/79/53/11/562795311.db2.gz AMWSJQSAVVUQOG-XIFFEERXSA-N 0 1 633.797 6.358 1 0 KKAFMN Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5ccc(C(F)(F)F)cc54)CC3)CC2)ccn1 ZINC000096285183 562795485 /nfs/dbraw/zinc/79/54/85/562795485.db2.gz PWJAOGFKLATTAX-UHFFFAOYSA-N 0 1 585.671 6.281 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302068 562796223 /nfs/dbraw/zinc/79/62/23/562796223.db2.gz MDTAKMHHAHITNR-FKCWAMBHSA-N 0 1 560.758 6.027 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302068 562796224 /nfs/dbraw/zinc/79/62/24/562796224.db2.gz MDTAKMHHAHITNR-FKCWAMBHSA-N 0 1 560.758 6.027 1 0 KKAFMN CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302084 562796255 /nfs/dbraw/zinc/79/62/55/562796255.db2.gz JJPCMURNTDRPSJ-QRLJAKNQSA-N 0 1 547.719 5.032 1 0 KKAFMN CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302084 562796256 /nfs/dbraw/zinc/79/62/56/562796256.db2.gz JJPCMURNTDRPSJ-QRLJAKNQSA-N 0 1 547.719 5.032 1 0 KKAFMN CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000096909602 562799666 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552.483 6.537 1 0 KKAFMN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3n[nH]c(-c4nc5ccccc5s4)c3c2)C1 ZINC000205038285 562874835 /nfs/dbraw/zinc/87/48/35/562874835.db2.gz JANKEFFANZEYJE-GOSISDBHSA-N 0 1 515.614 5.382 1 0 KKAFMN O=S(=O)(c1ccccc1)n1ccc2c1cccc2N1CCN(CCCOc2ccc3ccoc3c2)CC1 ZINC000206275042 562876429 /nfs/dbraw/zinc/87/64/29/562876429.db2.gz VFHUXBVWZQEOJG-UHFFFAOYSA-N 0 1 515.635 5.216 1 0 KKAFMN COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000221495936 562879027 /nfs/dbraw/zinc/87/90/27/562879027.db2.gz SWDUUFOEGXYQAO-UHFFFAOYSA-N 0 1 571.062 5.175 1 0 KKAFMN C=CC(=O)Nc1cccc(-n2c3nc(Nc4ccc(N5CCN(C)CC5)cc4OC)ncc3c(C)c(-c3ccccc3)c2=O)c1 ZINC000222981574 562880023 /nfs/dbraw/zinc/88/00/23/562880023.db2.gz NYVLCULBBGEPQX-UHFFFAOYSA-N 0 1 601.711 5.385 1 0 KKAFMN Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2nc3sccc3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299833947 562886359 /nfs/dbraw/zinc/88/63/59/562886359.db2.gz ATYOWQCIQMMFMA-UHFFFAOYSA-N 0 1 632.712 7.309 1 0 KKAFMN COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1F ZINC000299838705 562887915 /nfs/dbraw/zinc/88/79/15/562887915.db2.gz NIRJIZSOOLMPKB-UHFFFAOYSA-N 0 1 688.760 6.143 1 0 KKAFMN COc1ccc(-c2c(/C=C/C(=O)N3CCN(c4ccccc4OC)CC3)noc2-c2cc(Cl)c(O)cc2O)cc1 ZINC000299838978 562888058 /nfs/dbraw/zinc/88/80/58/562888058.db2.gz RQHOVOFQMVYWSJ-VAWYXSNFSA-N 0 1 562.022 5.452 1 0 KKAFMN CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299842993 562888948 /nfs/dbraw/zinc/88/89/48/562888948.db2.gz RCRKUTFIUCSOQL-QNOHRKODSA-N 0 1 810.938 5.296 1 0 KKAFMN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)N5CCCC5)cc(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 ZINC000299843835 562889062 /nfs/dbraw/zinc/88/90/62/562889062.db2.gz OFFBKACOAWRZCJ-HPUSGAEMSA-N 0 1 808.922 5.050 1 0 KKAFMN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C5SCCS5)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 ZINC000299844205 562889199 /nfs/dbraw/zinc/88/91/99/562889199.db2.gz GCEUDIONNAAMRI-WAGZQRBJSA-N 0 1 801.977 6.233 1 0 KKAFMN CCOc1ccc(-c2nc(NC(=O)[C@H](N)COCc3ccccc3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299851618 562890784 /nfs/dbraw/zinc/89/07/84/562890784.db2.gz HHQZBKHGGQWBCV-HSZRJFAPSA-N 0 1 563.676 5.384 1 0 KKAFMN C[N@@H+](CCOC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC=C1C(=O)[O-] ZINC000299860789 562893013 /nfs/dbraw/zinc/89/30/13/562893013.db2.gz HCWZPKGUFPMMPO-OAQYLSRUSA-N 0 1 501.467 6.326 1 0 KKAFMN CCOC(=O)/C=C/COc1cc(O)c2c(=O)c(OC/C=C/C(=O)OCC)c(-c3ccc(OC)cc3)oc2c1CC=C(C)C ZINC000473089907 562897452 /nfs/dbraw/zinc/89/74/52/562897452.db2.gz MSLXAMQUUZRWNN-GFULKKFKSA-N 0 1 592.641 5.679 1 0 KKAFMN CCOC(=O)/C=C/COc1cc(=O)c2c(O)c(OC/C=C/C(=O)OCC)c(-c3ccc(OC)cc3)oc-2c1CC=C(C)C ZINC000473089907 562897453 /nfs/dbraw/zinc/89/74/53/562897453.db2.gz MSLXAMQUUZRWNN-GFULKKFKSA-N 0 1 592.641 5.679 1 0 KKAFMN Clc1cccc(N2CCN(CCCCn3cc(-c4ccc5c(c4)Cc4ccccc4-5)nn3)CC2)c1Cl ZINC000473103972 562898159 /nfs/dbraw/zinc/89/81/59/562898159.db2.gz NJOGRMMAMLWHAA-UHFFFAOYSA-N 0 1 518.492 6.426 1 0 KKAFMN COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)cc1)CC2 ZINC000473135983 562900919 /nfs/dbraw/zinc/90/09/19/562900919.db2.gz MHQPOEYODAZTSH-UHFFFAOYSA-N 0 1 589.689 5.497 1 0 KKAFMN CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136636 562901089 /nfs/dbraw/zinc/90/10/89/562901089.db2.gz TWRGSFQMYKPGBO-KQYNGZBLSA-N 0 1 536.701 6.780 1 0 KKAFMN C[N@@H+](CCO)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159098 562902687 /nfs/dbraw/zinc/90/26/87/562902687.db2.gz GFSJRZDPTMGMKE-CYWCHRQTSA-N 0 1 526.052 5.309 1 0 KKAFMN Cc1cc(C[N@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473228754 562904212 /nfs/dbraw/zinc/90/42/12/562904212.db2.gz DPGRMYOKVDCHMV-FXSPECFOSA-N 0 1 568.114 5.042 1 0 KKAFMN CC[C@@H](c1ccc2c(c1)CCO2)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473228780 562904272 /nfs/dbraw/zinc/90/42/72/562904272.db2.gz KHWLPKAZIGNLOR-AGJHTDJMSA-N 0 1 562.707 5.302 1 0 KKAFMN Cc1cc(C[N@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1CCCN1C(=O)CCC1=O ZINC000473228761 562904281 /nfs/dbraw/zinc/90/42/81/562904281.db2.gz FMPPDCJOHSNKLX-WCYRKSIYSA-N 0 1 539.116 6.184 1 0 KKAFMN Cc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473228759 562904287 /nfs/dbraw/zinc/90/42/87/562904287.db2.gz FDASGQXFJFJJMH-MYIHVTGJSA-N 0 1 553.099 5.557 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1[C@@H]1C[C@H]1CN1C(=O)CCC1=O ZINC000473228821 562904348 /nfs/dbraw/zinc/90/43/48/562904348.db2.gz QZKLRPRXJFHVFG-MHJVEJPHSA-N 0 1 574.718 5.337 1 0 KKAFMN CCc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3cc(F)c(Cl)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473243775 562904715 /nfs/dbraw/zinc/90/47/15/562904715.db2.gz AOAFVAFPXVIKMW-GTFGCAHESA-N 0 1 585.116 5.950 1 0 KKAFMN CCc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473244585 562904870 /nfs/dbraw/zinc/90/48/70/562904870.db2.gz OOCLHVKLQDANMA-VSPOGIRPSA-N 0 1 567.126 5.811 1 0 KKAFMN Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653663052 562905908 /nfs/dbraw/zinc/90/59/08/562905908.db2.gz HJCYHYZYHRDVBU-UHFFFAOYSA-N 0 1 621.140 5.904 1 0 KKAFMN Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653685089 562906426 /nfs/dbraw/zinc/90/64/26/562906426.db2.gz YTHZYTZTWHGKMK-UHFFFAOYSA-N 0 1 626.181 6.570 1 0 KKAFMN Clc1ccc(N2CCN(CCCCNc3noc(-c4ccc(Br)cc4)n3)CC2)c(Cl)c1 ZINC000653808149 562913737 /nfs/dbraw/zinc/91/37/37/562913737.db2.gz YAYIMLBPJAGCJR-UHFFFAOYSA-N 0 1 525.278 5.820 1 0 KKAFMN CCCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)c(OCCCC)c2=O ZINC000653701036 562907424 /nfs/dbraw/zinc/90/74/24/562907424.db2.gz GSMSNEOZIULMAW-IZEXYCQBSA-N 0 1 592.641 6.111 1 0 KKAFMN CCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)c(OCCC)c2=O ZINC000653701098 562907483 /nfs/dbraw/zinc/90/74/83/562907483.db2.gz WPQBCUYBRTZYCY-LITSAYRRSA-N 0 1 564.587 5.331 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5ccc4c3)cc2F)c[nH]1)C(C)C ZINC000653707678 562907923 /nfs/dbraw/zinc/90/79/23/562907923.db2.gz CVPYUMMSFOVPMB-ZYADHFCISA-N 0 1 825.031 7.468 1 0 KKAFMN COc1ccc(CN(C)C(=O)c2ccc(N(Cc3cc(C)no3)C(=O)c3cc(Cl)c(O)cc3O)cc2)cc1 ZINC000653775799 562911923 /nfs/dbraw/zinc/91/19/23/562911923.db2.gz VKRJGZNMDIROFE-UHFFFAOYSA-N 0 1 535.984 5.175 1 0 KKAFMN Cc1ccc(-c2cn(-c3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653802018 562913451 /nfs/dbraw/zinc/91/34/51/562913451.db2.gz GWWBQHHZTOGIHP-UHFFFAOYSA-N 0 1 585.638 5.605 1 0 KKAFMN CC[NH+]1CCN(c2ccc3nc(-c4n[nH]c5ccc(O[C@H](C)c6c(Cl)cncc6Cl)cc54)[nH]c3c2)CC1 ZINC000653825434 562914377 /nfs/dbraw/zinc/91/43/77/562914377.db2.gz WTYAEMYGNSRASK-MRXNPFEDSA-N 0 1 536.467 6.090 1 0 KKAFMN CCOc1cncc(N2C(=O)c3c(c(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3Cl)C2=O)c1 ZINC000653845096 562915105 /nfs/dbraw/zinc/91/51/05/562915105.db2.gz NBAUJRSKYNXFHS-UHFFFAOYSA-N 0 1 514.003 5.033 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5ccc4c3)cc2O)c[nH]1)C(C)C ZINC000653895762 562917399 /nfs/dbraw/zinc/91/73/99/562917399.db2.gz KJKGYZIRLQRCHG-IIFAZUGRSA-N 0 1 778.911 6.567 1 0 KKAFMN COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1 ZINC000085570786 565145334 /nfs/dbraw/zinc/14/53/34/565145334.db2.gz BKKZWEKKSWPVJV-UHFFFAOYSA-N 0 1 608.599 6.649 1 0 biogenic,in-vitro KKAFMN COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(-c4cc(-c5cc(O)c6c(=O)cc(OC)cc-6o5)ccc4OC)c3o2)cc1 ZINC000085570786 565145341 /nfs/dbraw/zinc/14/53/41/565145341.db2.gz BKKZWEKKSWPVJV-UHFFFAOYSA-N 0 1 608.599 6.649 1 0 biogenic,in-vitro KKAFMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CC[C@@H](c5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000008695439 553121694 /nfs/dbraw/zinc/12/16/94/553121694.db2.gz OEWAZWLVYAICKM-PQDREZMGSA-N 0 1 549.549 5.292 2 0 KKAFMN CN(C)c1ccc(-c2nc(-c3ccc(C=CCOc4ccccc4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000001546482 561677311 /nfs/dbraw/zinc/67/73/11/561677311.db2.gz JMNWFYUVWLELQA-CMDGGOBGSA-N 0 1 514.673 7.635 1 0 KKAFMN CN(CCNC(=S)c1cn(C)c2c1ccc1ccccc21)CCNC(=S)c1cn(C)c2c1ccc1ccccc21 ZINC000001863089 561679975 /nfs/dbraw/zinc/67/99/75/561679975.db2.gz ZWGPMGUNYKQDAJ-UHFFFAOYSA-N 0 1 563.796 6.139 1 0 KKAFMN CC[C@@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1 ZINC000003815650 561683012 /nfs/dbraw/zinc/68/30/12/561683012.db2.gz KPHRDRFCGGZQJY-ZTOMLWHTSA-N 0 1 529.658 6.424 1 0 KKAFMN Nc1nc(N)c2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)nc2n1 ZINC000003917937 561685244 /nfs/dbraw/zinc/68/52/44/561685244.db2.gz MMAPPCKCHYYOBX-UHFFFAOYSA-N 0 1 542.647 5.003 1 0 KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3cc4ccccc4nc3C(C)C)cc2)cc1OC ZINC000003922477 561685912 /nfs/dbraw/zinc/68/59/12/561685912.db2.gz BMVATFZXMWUVSA-UHFFFAOYSA-N 0 1 562.732 6.152 1 0 KKAFMN CC(C)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000003935745 561688457 /nfs/dbraw/zinc/68/84/57/561688457.db2.gz MYBBTGORNPKHDT-BHVANESWSA-N 0 1 673.814 5.949 1 0 KKAFMN Cn1nc(C[C@@H](CC(=O)[O-])c2cnc(-c3ccc(Cl)cc3)s2)cc1OCCc1ccc2c([nH+]1)NCCC2 ZINC000003962001 561691116 /nfs/dbraw/zinc/69/11/16/561691116.db2.gz XKXMEMPIHRKAQX-IBGZPJMESA-N 0 1 538.073 5.373 1 0 KKAFMN CC(=O)NC(=Cc1ccc(C=C(NC(C)=O)c2nc3ccc(Cl)cc3[nH]2)cc1)c1nc2ccccc2[nH]1 ZINC000005545745 561696690 /nfs/dbraw/zinc/69/66/90/561696690.db2.gz LIQGHQIADVHFLU-WFBNZKAHSA-N 0 1 510.985 5.361 1 0 KKAFMN CCN1CC[C@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000005823029 561698760 /nfs/dbraw/zinc/69/87/60/561698760.db2.gz HKSABFMJANGSMM-TWJUONSBSA-N 0 1 521.657 7.300 1 0 KKAFMN COc1cccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)c1 ZINC000013451533 561713479 /nfs/dbraw/zinc/71/34/79/561713479.db2.gz YHDPFSHCPVWHIB-UHFFFAOYSA-N 0 1 520.695 5.848 1 0 KKAFMN Cc1nnc2cc(-c3cccc(Cl)c3)c3cc([C@@](N)(c4cncn4C)c4ccc(Cl)cc4)ccc3n12 ZINC000013587839 561720932 /nfs/dbraw/zinc/72/09/32/561720932.db2.gz ZBVRAORJUFNDAX-MUUNZHRXSA-N 0 1 513.432 6.149 1 0 KKAFMN COc1ccc(C[N@@H+](CCCOc2cccc(CC(=O)[O-])c2)CC(c2ccccc2)c2ccccc2)cc1 ZINC000013473318 561714359 /nfs/dbraw/zinc/71/43/59/561714359.db2.gz HSYNLNWVLYRQES-UHFFFAOYSA-N 0 1 509.646 6.426 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC(CCC)CCC ZINC000013780884 561729299 /nfs/dbraw/zinc/72/92/99/561729299.db2.gz GGXRDIRMSIBPGB-BEYSDYMESA-N 0 1 516.723 5.919 1 0 KKAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(OCC3CC3)c2C)c1Cl ZINC000013801646 561730655 /nfs/dbraw/zinc/73/06/55/561730655.db2.gz CGAJTYLBGHPSIZ-UHFFFAOYSA-N 0 1 510.037 5.465 1 0 KKAFMN Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(OCCF)c(N5CCN(C)CC5)c4)cc3)c(C)c2)no1 ZINC000013805069 561731379 /nfs/dbraw/zinc/73/13/79/561731379.db2.gz DUMFBDNWYSCVRA-UHFFFAOYSA-N 0 1 529.616 5.373 1 0 KKAFMN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NCC[C@@H]2CCC[N@H+]2CC2CCCCC2)ccc2c1CCCC2 ZINC000014964624 561749283 /nfs/dbraw/zinc/74/92/83/561749283.db2.gz WJKUUVHLJCAMEU-DEOSSOPVSA-N 0 1 539.742 5.911 1 0 KKAFMN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000014965440 561749655 /nfs/dbraw/zinc/74/96/55/561749655.db2.gz KPQJQFYLUIIHKC-UHFFFAOYSA-N 0 1 598.704 5.952 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000022449423 561759268 /nfs/dbraw/zinc/75/92/68/561759268.db2.gz KEIRBRQKXFLPHS-UHFFFAOYSA-N 0 1 561.612 5.609 1 0 KKAFMN Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C(=O)c2ccccc2)c1Cl ZINC000026151483 561767677 /nfs/dbraw/zinc/76/76/77/561767677.db2.gz JLRRDGMHNRQGQM-UHFFFAOYSA-N 0 1 530.027 5.599 1 0 KKAFMN O=C1CC[C@@](CCN2CC(N3CCSCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927761 561759882 /nfs/dbraw/zinc/75/98/82/561759882.db2.gz HUERSZSCUMQRFY-MHZLTWQESA-N 0 1 518.554 5.177 1 0 KKAFMN O[C@@H](COc1ccnc2cc(C(F)(F)F)ccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022934071 561760482 /nfs/dbraw/zinc/76/04/82/561760482.db2.gz AZZZOUXQECPSMI-RUZDIDTESA-N 0 1 521.583 5.401 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc5cccc(OC)c5o4)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952990 561761397 /nfs/dbraw/zinc/76/13/97/561761397.db2.gz JDJYWNRPLBNDBK-UHFFFAOYSA-N 0 1 610.633 6.111 3 0 KKAFMN CCN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1 ZINC000023359298 561762159 /nfs/dbraw/zinc/76/21/59/561762159.db2.gz URWOFVWFYVNSPO-UHFFFAOYSA-N 0 1 551.927 6.350 1 0 KKAFMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccc(Br)cc1 ZINC000026270631 561777132 /nfs/dbraw/zinc/77/71/32/561777132.db2.gz HCVKFRCXTOIGDM-KYJUHHDHSA-N 0 1 636.631 6.157 1 0 KKAFMN CCOC(=O)C1C(=CS(=O)(=O)c2ccccc2Cl)N=C(C)C(C(=O)OC)[C@H]1c1ccccc1C(F)(F)F ZINC000026377782 561782579 /nfs/dbraw/zinc/78/25/79/561782579.db2.gz RBGZQNCKRAGWBQ-PZJQAWQVSA-N 0 1 557.974 5.624 1 0 KKAFMN C=C1N=C(C)C(C(=O)OC)[C@H](c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)C1C(=O)OC ZINC000026399113 561787997 /nfs/dbraw/zinc/78/79/97/561787997.db2.gz CDXJFHZNFPQEPV-OHQITXMPSA-N 0 1 505.574 6.385 1 0 KKAFMN FC(F)(F)c1ccc([C@@H](c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026505142 561796386 /nfs/dbraw/zinc/79/63/86/561796386.db2.gz WTNIWSHLUDQHLC-AREMUKBSSA-N 0 1 514.555 5.746 1 0 KKAFMN CCCCN(CCCC)c1ccc(-c2nc(-c3ccc(C=CC(=O)OC)cc3)[nH]c2-c2ccc(NC)cc2)cc1 ZINC000026576404 561800191 /nfs/dbraw/zinc/80/01/91/561800191.db2.gz QGVFZJNCGPJKDO-SSDVNMTOSA-N 0 1 536.720 8.045 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 ZINC000026577534 561801780 /nfs/dbraw/zinc/80/17/80/561801780.db2.gz JAGRLYPMZPJKJU-BUFIKQNTSA-N 0 1 583.647 5.826 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl ZINC000026579600 561805000 /nfs/dbraw/zinc/80/50/00/561805000.db2.gz HMEFFWIAISUKDO-IMISRGLISA-N 0 1 626.071 6.596 1 0 KKAFMN CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)ccc1O ZINC000026825247 561821837 /nfs/dbraw/zinc/82/18/37/561821837.db2.gz GRXKGMFBAMEGTB-WNJJXGMVSA-N 0 1 518.635 5.163 1 0 KKAFMN C[C@@H](Nc1cc(-c2[nH]c(SCc3ccc([S@@](C)=O)cc3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000026961529 561829690 /nfs/dbraw/zinc/82/96/90/561829690.db2.gz SZLYSQJIZDNCQP-UNFLUOAUSA-N 0 1 542.705 7.481 1 0 KKAFMN C[S@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccccc4)c3)[nH]2)cc1 ZINC000026970904 561830278 /nfs/dbraw/zinc/83/02/78/561830278.db2.gz KVXOCOUVUJHXOI-DIPNUNPCSA-N 0 1 528.678 6.920 1 0 KKAFMN CCCN(CC[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000026979944 561831250 /nfs/dbraw/zinc/83/12/50/561831250.db2.gz XUIJEMYAUJYNJA-ZJGIAAPESA-N 0 1 601.121 5.020 1 0 KKAFMN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000026988068 561832104 /nfs/dbraw/zinc/83/21/04/561832104.db2.gz YZKDSEWVOOJDTJ-YBUJKPIWSA-N 0 1 522.667 5.268 1 0 KKAFMN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000026988068 561832105 /nfs/dbraw/zinc/83/21/05/561832105.db2.gz YZKDSEWVOOJDTJ-YBUJKPIWSA-N 0 1 522.667 5.268 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000027078237 561834622 /nfs/dbraw/zinc/83/46/22/561834622.db2.gz ROPVYNUGSZRGBD-MZNRBSJDSA-N 0 1 694.902 5.531 1 0 KKAFMN CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@](C)(C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027107754 561840621 /nfs/dbraw/zinc/84/06/21/561840621.db2.gz AYVFJDPITYUMTH-IPZQJPLYSA-N 0 1 576.803 6.710 1 0 KKAFMN CN(Cc1ccccc1)C(=O)CN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000027186540 561842666 /nfs/dbraw/zinc/84/26/66/561842666.db2.gz HMFVPOKPHBIIOI-XCZPVHLTSA-N 0 1 564.570 7.105 1 0 KKAFMN C[C@H](OC[C@@H](c1ccccc1)[NH+]1CCN(CCOCC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517595 561861310 /nfs/dbraw/zinc/86/13/10/561861310.db2.gz VONJODYKTRPIQC-MBSDFSHPSA-N 0 1 548.524 5.262 1 0 KKAFMN CC(C)SC[C@H](O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1 ZINC000027621162 561872529 /nfs/dbraw/zinc/87/25/29/561872529.db2.gz SMOFSYOMVNYIGV-UJWBSGRQSA-N 0 1 699.918 5.392 1 0 KKAFMN O=C(NCCc1cnc[nH]1)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000027657879 561878267 /nfs/dbraw/zinc/87/82/67/561878267.db2.gz GOYDJMAPJITTBZ-HSZRJFAPSA-N 0 1 535.431 5.041 1 0 KKAFMN O=S(=O)(Nc1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccccc1 ZINC000027847907 561885660 /nfs/dbraw/zinc/88/56/60/561885660.db2.gz MHHVHHXUMOLHOJ-OAQYLSRUSA-N 0 1 563.529 5.093 1 0 KKAFMN CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013481 561896866 /nfs/dbraw/zinc/89/68/66/561896866.db2.gz VSDOQRBIRZGCHV-HROZJBRQSA-N 0 1 616.822 6.568 1 0 KKAFMN CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013481 561896868 /nfs/dbraw/zinc/89/68/68/561896868.db2.gz VSDOQRBIRZGCHV-HROZJBRQSA-N 0 1 616.822 6.568 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028015379 561897094 /nfs/dbraw/zinc/89/70/94/561897094.db2.gz HBHXAVXLZKWCKM-GTRCSXEUSA-N 0 1 622.801 6.565 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028015379 561897096 /nfs/dbraw/zinc/89/70/96/561897096.db2.gz HBHXAVXLZKWCKM-GTRCSXEUSA-N 0 1 622.801 6.565 1 0 KKAFMN CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018741 561897972 /nfs/dbraw/zinc/89/79/72/561897972.db2.gz NDYUTCXPKZFGFW-TUTZNEALSA-N 0 1 624.823 5.041 1 0 KKAFMN CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018741 561897973 /nfs/dbraw/zinc/89/79/73/561897973.db2.gz NDYUTCXPKZFGFW-TUTZNEALSA-N 0 1 624.823 5.041 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028086162 561899080 /nfs/dbraw/zinc/89/90/80/561899080.db2.gz XNRDIULNKXSIMU-NGZLLANBSA-N 0 1 632.865 7.205 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028086162 561899082 /nfs/dbraw/zinc/89/90/82/561899082.db2.gz XNRDIULNKXSIMU-NGZLLANBSA-N 0 1 632.865 7.205 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028087201 561899430 /nfs/dbraw/zinc/89/94/30/561899430.db2.gz ZTXBUYCSHALQDM-AUFCLJJTSA-N 0 1 618.838 6.816 1 0 KKAFMN CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028087201 561899431 /nfs/dbraw/zinc/89/94/31/561899431.db2.gz ZTXBUYCSHALQDM-AUFCLJJTSA-N 0 1 618.838 6.816 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087967 561899448 /nfs/dbraw/zinc/89/94/48/561899448.db2.gz ICFBKVPIXDVRSY-YJCNYCIJSA-N 0 1 630.849 6.959 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087967 561899449 /nfs/dbraw/zinc/89/94/49/561899449.db2.gz ICFBKVPIXDVRSY-YJCNYCIJSA-N 0 1 630.849 6.959 1 0 KKAFMN CCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093214 561900381 /nfs/dbraw/zinc/90/03/81/561900381.db2.gz OHJXUFLNJCDPTF-ARESMVSKSA-N 0 1 666.882 7.606 1 0 KKAFMN CCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093214 561900382 /nfs/dbraw/zinc/90/03/82/561900382.db2.gz OHJXUFLNJCDPTF-ARESMVSKSA-N 0 1 666.882 7.606 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028096329 561900955 /nfs/dbraw/zinc/90/09/55/561900955.db2.gz MLKJWAJODRUMOO-RFUUAGDRSA-N 0 1 700.921 6.860 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028096329 561900957 /nfs/dbraw/zinc/90/09/57/561900957.db2.gz MLKJWAJODRUMOO-RFUUAGDRSA-N 0 1 700.921 6.860 1 0 KKAFMN CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000028119793 561904357 /nfs/dbraw/zinc/90/43/57/561904357.db2.gz WBEAZUXNTIFSLN-UHFFFAOYSA-N 0 1 543.269 8.931 1 0 KKAFMN CN1CCN(c2cc(-c3ccccc3)c3c(n2)OCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)CC1 ZINC000028132086 561905900 /nfs/dbraw/zinc/90/59/00/561905900.db2.gz MZCJZOKHAHCBDA-UHFFFAOYSA-N 0 1 578.557 5.963 1 0 KKAFMN COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238147 561910155 /nfs/dbraw/zinc/91/01/55/561910155.db2.gz VJKYDSYACPUUAN-UHFFFAOYSA-N 0 1 639.724 6.857 1 0 KKAFMN CC[C@H](C)CNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000028257302 561911667 /nfs/dbraw/zinc/91/16/67/561911667.db2.gz SHGYNXXABXGXNI-LWOVQYQGSA-N 0 1 703.928 6.289 1 0 investigational KKAFMN CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2C[C@H](O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000028341072 561914051 /nfs/dbraw/zinc/91/40/51/561914051.db2.gz JOMUOBXQCQBUHB-SSEXGKCCSA-N 0 1 620.144 5.154 1 0 KKAFMN CCC(=O)N(C)c1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238519 561910067 /nfs/dbraw/zinc/91/00/67/561910067.db2.gz QMNVBIOUMGUBCW-UHFFFAOYSA-N 0 1 694.804 7.221 1 0 KKAFMN CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000028362807 561917015 /nfs/dbraw/zinc/91/70/15/561917015.db2.gz HZIWSQKABKJOQE-UHFFFAOYSA-N 0 1 630.854 7.258 1 0 KKAFMN O=C([O-])[C@@H]1CCC[N@@H+](CCC=C(c2sccc2COCc2ccccc2)c2sccc2COCc2ccccc2)C1 ZINC000028564890 561935805 /nfs/dbraw/zinc/93/58/05/561935805.db2.gz RMCJBBDEHANNHI-MUUNZHRXSA-N 0 1 587.807 7.862 1 0 KKAFMN CC[C@H](C(=O)Nc1onc(C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1 ZINC000028569409 561937986 /nfs/dbraw/zinc/93/79/86/561937986.db2.gz XBRLJCMSNZNYPV-SFHVURJKSA-N 0 1 514.466 6.910 1 0 KKAFMN N=C(N)Nc1ccc(Cc2ccc(N3c4ccccc4C(C4CCCCC4)=NN(Cc4ccccc4)C3=O)cc2)cc1 ZINC000028711860 561952442 /nfs/dbraw/zinc/95/24/42/561952442.db2.gz ANCNOLKRROKZMH-UHFFFAOYSA-N 0 1 556.714 7.641 1 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VZWZQSHHQNIRAG-RUZDIDTESA-N 0 1 524.086 5.127 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2ccc(Oc3ccccc3)cc2)c1 ZINC000028949106 561980408 /nfs/dbraw/zinc/98/04/08/561980408.db2.gz LJZHNKCEYGGJMB-UHFFFAOYSA-N 0 1 548.639 7.151 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000028949144 561980495 /nfs/dbraw/zinc/98/04/95/561980495.db2.gz DTWOWMJMAWJRCE-UHFFFAOYSA-N 0 1 548.639 7.151 1 0 KKAFMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2cc(-c3nc(=O)o[n-]3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000028949704 561980767 /nfs/dbraw/zinc/98/07/67/561980767.db2.gz HNRSWIBLSLTBRF-QFIPXVFZSA-N 0 1 541.696 5.500 1 0 KKAFMN COc1ccccc1/C(C)=C/C[N@@H+](C)CCC[C@@H](P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[P@](=O)([O-])OCOC(=O)C(C)(C)C ZINC000028968408 561985468 /nfs/dbraw/zinc/98/54/68/561985468.db2.gz KLDYXDPEEBRHBO-PDUUCECCSA-N 0 1 749.772 7.205 1 0 KKAFMN CC(=O)c1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000028968381 561985523 /nfs/dbraw/zinc/98/55/23/561985523.db2.gz FDKPPPRYYPDLJW-GHJOZJBHSA-N 0 1 653.823 6.881 1 0 KKAFMN O=C1NCCN1CCNc1nccc(-c2nc(C3CC3)[nH]c2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)n1 ZINC000029042574 561991625 /nfs/dbraw/zinc/99/16/25/561991625.db2.gz NTUPINFPCXIWMM-UHFFFAOYSA-N 0 1 627.558 5.097 1 0 KKAFMN COc1ccc(C(=O)CSc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)c(=O)[nH]2)cc1 ZINC000029058407 561995308 /nfs/dbraw/zinc/99/53/08/561995308.db2.gz HTIYXSBKZZAXKQ-UHFFFAOYSA-N 0 1 516.463 5.690 1 0 KKAFMN O=C(CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029123673 561996993 /nfs/dbraw/zinc/99/69/93/561996993.db2.gz YMKNGMZECOSVRW-UHFFFAOYSA-N 0 1 568.480 5.050 1 0 KKAFMN CCc1nc2cc3c(c(C)c2o1)CCN(CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127298 561999788 /nfs/dbraw/zinc/99/97/88/561999788.db2.gz DYDLMZLLICKPBG-UHFFFAOYSA-N 0 1 540.737 6.324 1 0 KKAFMN Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3 ZINC000029127366 561999867 /nfs/dbraw/zinc/99/98/67/561999867.db2.gz XJLKTBWZJKVXJX-UHFFFAOYSA-N 0 1 501.578 5.534 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4ccc5nc(C(F)(F)F)oc5c4CC3)n2C)n1 ZINC000029127525 561999975 /nfs/dbraw/zinc/99/99/75/561999975.db2.gz GGTFAVLCBBVKHN-UHFFFAOYSA-N 0 1 552.626 6.082 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 ZINC000029218545 562006824 /nfs/dbraw/zinc/00/68/24/562006824.db2.gz HCRWXYFCVVDWAC-YTTGMZPUSA-N 0 1 605.720 5.542 1 0 KKAFMN O=P(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1)(Oc1ccccc1)Oc1ccccc1 ZINC000029322443 562013124 /nfs/dbraw/zinc/01/31/24/562013124.db2.gz AHIFMZUYRNPRJK-MHZLTWQESA-N 0 1 511.522 6.049 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)[C@@H](c1cccc(Cl)c1)SCC(=O)N2C ZINC000029330494 562013867 /nfs/dbraw/zinc/01/38/67/562013867.db2.gz WVXGQIOPZMEAOO-KAYWLYCHSA-N 0 1 523.489 5.777 1 0 KKAFMN CCOC(=O)C1=C(COCCN2CCN(Cc3ccc(Cl)cc3)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029463658 562023545 /nfs/dbraw/zinc/02/35/45/562023545.db2.gz LKVXLSYXZNNVFV-UFEOWHGLSA-N 0 1 602.559 5.619 1 0 KKAFMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000029475466 562026467 /nfs/dbraw/zinc/02/64/67/562026467.db2.gz OGLNCNGICKDUAN-COCZKOEFSA-N 0 1 702.984 7.482 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029561044 562033236 /nfs/dbraw/zinc/03/32/36/562033236.db2.gz VDGCNOYTIPMBBA-BKHJTQGXSA-N 0 1 614.808 6.883 1 0 KKAFMN Cc1oc2c(c1C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560010 562032834 /nfs/dbraw/zinc/03/28/34/562032834.db2.gz BOLMOAXJMNTWTF-BHBYDHKZSA-N 0 1 598.765 7.183 1 0 KKAFMN CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)[N-]c4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 ZINC000029566258 562034439 /nfs/dbraw/zinc/03/44/39/562034439.db2.gz CGOIQOHYFAKMEL-DHUJRADRSA-N 0 1 640.875 7.661 1 0 KKAFMN C[C@@H]1CN(c2ncc(N)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(-c3ccc(F)cc3)c2[nH]1 ZINC000035975032 562045901 /nfs/dbraw/zinc/04/59/01/562045901.db2.gz VKYMEZDEEIGFCN-CYBMUJFWSA-N 0 1 504.919 5.734 1 0 KKAFMN Cc1ccc(CN2CCN(C3=Nc4cc(Cl)ccc4N(NC(=O)c4ccccc4Cl)c4ccccc43)CC2)c(C)c1 ZINC000036188199 562050868 /nfs/dbraw/zinc/05/08/68/562050868.db2.gz SSGXOSRVRMKOMB-UHFFFAOYSA-N 0 1 584.551 7.303 1 0 KKAFMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294663 562054749 /nfs/dbraw/zinc/05/47/49/562054749.db2.gz MUAQEKVYFBHQJO-HXUWFJFHSA-N 0 1 526.855 5.899 1 0 KKAFMN O=C(Nc1ccc2nc(-c3ccc(NC(=O)c4cccnc4Cl)cc3)[nH]c2c1)c1ccccc1Cl ZINC000038147873 562065765 /nfs/dbraw/zinc/06/57/65/562065765.db2.gz YWJAPPQRDYDOGQ-UHFFFAOYSA-N 0 1 502.361 6.436 1 0 KKAFMN CN(C)c1ccc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc32)cc1 ZINC000038157637 562069200 /nfs/dbraw/zinc/06/92/00/562069200.db2.gz KQIYEDLDIYJYPG-UHFFFAOYSA-N 0 1 534.508 6.055 1 0 KKAFMN C[C@@H]1CN(c2ncc(NC(=O)CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(-c3ccc(F)cc3)c2[nH]1 ZINC000038157611 562069241 /nfs/dbraw/zinc/06/92/41/562069241.db2.gz FEHIRMWSAFWMRU-CQSZACIVSA-N 0 1 562.955 5.082 1 0 KKAFMN C[C@@H]1CN(c2nc3cc(C(F)(F)F)cc(-c4cc(F)c(F)c(F)c4)c3[nH]2)CCN1c1ncccc1Br ZINC000038157628 562069273 /nfs/dbraw/zinc/06/92/73/562069273.db2.gz LBTSPUYNHKIJJS-GFCCVEGCSA-N 0 1 570.335 6.539 1 0 KKAFMN CCN1CCN(CC(=O)Nc2cc(C)nc3ccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)cc32)CC1 ZINC000040392343 562073667 /nfs/dbraw/zinc/07/36/67/562073667.db2.gz AJNHEEVPXLJFHK-UHFFFAOYSA-N 0 1 515.445 5.070 1 0 KKAFMN COc1ccc2c(c1)[C@@H]1[C@H](CC[N@@H+]1CCN(C)C)Cn1c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c1-2 ZINC000040410840 562075195 /nfs/dbraw/zinc/07/51/95/562075195.db2.gz VODSKNZEQBMLAF-MNNSJKJDSA-N 0 1 501.671 6.001 1 0 KKAFMN COc1ccc2c(c1)[C@@H]1[C@H](CC[N@H+]1CCN(C)C)Cn1c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c1-2 ZINC000040410840 562075196 /nfs/dbraw/zinc/07/51/96/562075196.db2.gz VODSKNZEQBMLAF-MNNSJKJDSA-N 0 1 501.671 6.001 1 0 KKAFMN O=C(N1CCC[C@@](c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1)C(F)(F)F ZINC000040430003 562076726 /nfs/dbraw/zinc/07/67/26/562076726.db2.gz KLGLMVXXCWGYNY-XMMPIXPASA-N 0 1 509.410 5.784 1 0 KKAFMN [O-]c1cc(Cl)ccc1Oc1ccc(Cl)cc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000040617236 562078573 /nfs/dbraw/zinc/07/85/73/562078573.db2.gz IGFMDPVCMXEVMZ-UHFFFAOYSA-N 0 1 519.472 7.399 1 0 KKAFMN c1ccc2c(c1)cccc2CCc1cc(NCc2cccc3ccccc32)nc(NCc2cccc3ccccc32)n1 ZINC000042805576 562089217 /nfs/dbraw/zinc/08/92/17/562089217.db2.gz DZNCYCYKSMOVGF-UHFFFAOYSA-N 0 1 544.702 8.946 1 0 KKAFMN Cc1[nH]nc2ccc(NC(=O)C3=C(C)NC(c4ccnc(Cl)c4)=N[C@@H]3c3ccc(Cl)cc3F)cc12 ZINC000040937498 562085429 /nfs/dbraw/zinc/08/54/29/562085429.db2.gz VLMQNCCSDWVDDD-HSZRJFAPSA-N 0 1 509.372 5.716 1 0 KKAFMN COc1cc2c(cc1OC)[C@@H](Cc1ccc3ccccc3c1)N([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000040950063 562085920 /nfs/dbraw/zinc/08/59/20/562085920.db2.gz RWSZLMVCERHQGM-PPTMTGTBSA-N 0 1 506.646 6.019 1 0 KKAFMN CCCCC1(CCCC)OC(c2ccc(Cl)cc2Cl)=NN1C(=O)NC(=O)c1c(F)cccc1F ZINC000040979994 562087341 /nfs/dbraw/zinc/08/73/41/562087341.db2.gz YGNIKJDUBFQLAC-UHFFFAOYSA-N 0 1 512.384 6.892 1 0 KKAFMN COc1c(O)c(Oc2ccc([C@@H]3COc4cc(O)ccc4C3)c(OC)c2O)ccc1[C@@H]1COc2cc(O)ccc2C1 ZINC000085851902 560066560 /nfs/dbraw/zinc/06/65/60/560066560.db2.gz YNSOGFXHKXTWBP-PMACEKPBSA-N 0 1 558.583 5.756 1 0 biogenic,in-vitro KKAFMN CC(=O)N1CCC[C@@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000043059967 562645178 /nfs/dbraw/zinc/64/51/78/562645178.db2.gz GHBDLNUMMWOHOL-RUZDIDTESA-N 0 1 504.612 5.283 1 0 KKAFMN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(O)(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)CC1 ZINC000043409079 562648205 /nfs/dbraw/zinc/64/82/05/562648205.db2.gz YDXARWPQNQHLAN-UHFFFAOYSA-N 0 1 545.573 5.871 1 0 KKAFMN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@](O)(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000043409132 562648232 /nfs/dbraw/zinc/64/82/32/562648232.db2.gz PTEAYHWSRKORAG-SSEXGKCCSA-N 0 1 541.610 6.334 1 0 KKAFMN CC(C)=CCC/C(C)=C/Cc1c2c(c(=O)c3c(O)c4c(oc1-3)-c1c3c(c(O)cc1O)OC(C)(C)[C@@H]3C4)C=CC(C)(C)O2 ZINC000044280724 562652958 /nfs/dbraw/zinc/65/29/58/562652958.db2.gz QBDLPAZRIQKEQK-OJHVLRHSSA-N 0 1 570.682 7.807 1 0 KKAFMN O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCC1)c1cc(-c2ccncc2)c(-c2cccc(O)c2)o1 ZINC000045191417 562658565 /nfs/dbraw/zinc/65/85/65/562658565.db2.gz VQBDLCIGFKQZLG-VWLOTQADSA-N 0 1 521.539 6.300 1 0 KKAFMN CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NC(=O)Nc4c(Cl)cccc4Cl)c3CC[C@@H]21 ZINC000045389801 562662514 /nfs/dbraw/zinc/66/25/14/562662514.db2.gz SVNHWLZUROYKTP-LADGPHEKSA-N 0 1 516.856 6.931 1 0 KKAFMN COC(=O)c1cccc(N2CCN(CCCNC(=O)/C(=C/C=C/c3cc4cc(Cl)c(Cl)cc4[nH]3)OC)CC2)c1 ZINC000048307353 562663022 /nfs/dbraw/zinc/66/30/22/562663022.db2.gz XKGDZJPPIYRCDT-HPVCSJJCSA-N 0 1 571.505 5.133 1 0 KKAFMN Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC[C@H]4Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049051648 562663787 /nfs/dbraw/zinc/66/37/87/562663787.db2.gz SOBWJJMARWEHLE-NRFANRHFSA-N 0 1 500.996 6.930 1 0 KKAFMN O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049054481 562663898 /nfs/dbraw/zinc/66/38/98/562663898.db2.gz VKEKQOWZBFVSMP-FIBWVYCGSA-N 0 1 520.595 6.148 1 0 KKAFMN CCn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049088415 562664331 /nfs/dbraw/zinc/66/43/31/562664331.db2.gz FYYAPMGYQONMQC-NDEPHWFRSA-N 0 1 503.433 5.979 1 0 KKAFMN Oc1ccc2c(c1)O[C@@H](c1cccc(OCCN3CCSCC3)c1)C1=C2CCOc2cc(O)ccc21 ZINC000049112283 562664602 /nfs/dbraw/zinc/66/46/02/562664602.db2.gz IYLBPELTTFJGJQ-LJAQVGFWSA-N 0 1 503.620 5.352 1 0 KKAFMN CC(=O)c1ccc(N2CCN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)COCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000049605021 562665213 /nfs/dbraw/zinc/66/52/13/562665213.db2.gz ORFLLYVBWQYOCA-HKBQPEDESA-N 0 1 566.529 5.776 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049605351 562665750 /nfs/dbraw/zinc/66/57/50/562665750.db2.gz LFOSZTKCLLCZKM-PKNBQFBNSA-N 0 1 537.919 6.186 1 0 KKAFMN O=C(CNC(=O)c1ccc(O)cc1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 ZINC000049627014 562667477 /nfs/dbraw/zinc/66/74/77/562667477.db2.gz UTFHEEGUJDZKBH-UHFFFAOYSA-N 0 1 530.506 5.990 1 0 KKAFMN CC(C)=CCC/C(C)=C/CN1CCC(N(Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000049639176 562667673 /nfs/dbraw/zinc/66/76/73/562667673.db2.gz WYHDONXSVXQVLA-ZTKZIYFRSA-N 0 1 615.840 7.785 1 0 KKAFMN COc1ccc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC ZINC000049694617 562669542 /nfs/dbraw/zinc/66/95/42/562669542.db2.gz TUWKXYAHIYRCAT-MHZLTWQESA-N 0 1 533.631 5.351 1 0 KKAFMN C[C@H](C(=O)[O-])c1cccc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000049695514 562670650 /nfs/dbraw/zinc/67/06/50/562670650.db2.gz AVNLUJALSLNPNX-DEOSSOPVSA-N 0 1 596.089 8.650 1 0 KKAFMN COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)Nc4cccnc4)cc3)sc2n1 ZINC000049709466 562671336 /nfs/dbraw/zinc/67/13/36/562671336.db2.gz DHBRPNVHJRZIDB-NRFANRHFSA-N 0 1 537.667 5.198 1 0 KKAFMN Cc1ccc([C@H]2N(c3ccccc3)O[C@H](c3ccccc3)[C@@]23CN([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049722655 562672334 /nfs/dbraw/zinc/67/23/34/562672334.db2.gz ZFIXAPLUCJNISD-BREOONDBSA-N 0 1 502.658 7.252 1 0 KKAFMN COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CN[C@H](CF)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049757118 562675568 /nfs/dbraw/zinc/67/55/68/562675568.db2.gz DDKJURVNAYNPKH-WIHCDAFUSA-N 0 1 591.768 5.717 1 0 KKAFMN COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CN[C@@H](CF)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2 ZINC000049757119 562675572 /nfs/dbraw/zinc/67/55/72/562675572.db2.gz DDKJURVNAYNPKH-XFCANUNOSA-N 0 1 591.768 5.717 1 0 KKAFMN O=C([O-])C[C@@H]1CC[N@@H+]([C@@H](c2ccc(C(F)(F)F)nc2)C2CCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000049762923 562676745 /nfs/dbraw/zinc/67/67/45/562676745.db2.gz UKATWJPGHPBHAB-VEDVITAVSA-N 0 1 528.537 7.669 1 0 KKAFMN CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5nc(-c6ccc(NC(C)=O)cc6)[nH]c5-c5ccccc5)cc4)cc3)[nH]2)cc1 ZINC000049767453 562677600 /nfs/dbraw/zinc/67/76/00/562677600.db2.gz NLTLUUSOJYZZFZ-UHFFFAOYSA-N 0 1 720.833 10.844 1 0 KKAFMN CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(NC(C)=O)cc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1 ZINC000049767453 562677601 /nfs/dbraw/zinc/67/76/01/562677601.db2.gz NLTLUUSOJYZZFZ-UHFFFAOYSA-N 0 1 720.833 10.844 1 0 KKAFMN Cc1ccc(/C=C/C(=O)NCCCCCN2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000049774508 562678641 /nfs/dbraw/zinc/67/86/41/562678641.db2.gz KWYDYKYVNVHXKJ-FMIVXFBMSA-N 0 1 537.026 5.817 1 0 KKAFMN Clc1ccc(CN2CCN(c3c4nc(-c5ccc(CN6CCOCC6)cc5)[nH]c4ncc3Br)CC2)cc1 ZINC000049775621 562679158 /nfs/dbraw/zinc/67/91/58/562679158.db2.gz IZRXRZKKTJHSGV-UHFFFAOYSA-N 0 1 581.946 5.195 1 0 in-vitro KKAFMN CN1CCN(c2ccc(-c3cnn4c3ncc(-c3ccc(NC(=O)Nc5ccccc5Cl)cc3)c4N)cc2)CC1 ZINC000049777033 562679550 /nfs/dbraw/zinc/67/95/50/562679550.db2.gz MXPLPMSWGMUSSK-UHFFFAOYSA-N 0 1 553.070 5.695 1 0 KKAFMN O=S(=O)(NC[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)c1c(F)cccc1F ZINC000049777167 562679736 /nfs/dbraw/zinc/67/97/36/562679736.db2.gz XPFZJZJNCLEILX-HWIKTNENSA-N 0 1 604.043 5.353 1 0 KKAFMN O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049780193 562681416 /nfs/dbraw/zinc/68/14/16/562681416.db2.gz ZUFUIYOZVFSEPX-GOJCVTOHSA-N 0 1 542.723 6.714 1 0 KKAFMN O=C(N[C@H](Cc1ccccc1)CN(Cc1cnc2ccccc2c1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1nccs1 ZINC000049780324 562681640 /nfs/dbraw/zinc/68/16/40/562681640.db2.gz FNQUUONWSOHCPS-JHOUSYSJSA-N 0 1 706.894 7.025 1 0 KKAFMN CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCCCC4)nc4c(C(F)(F)F)cccn43)c2)c1 ZINC000049785723 562684134 /nfs/dbraw/zinc/68/41/34/562684134.db2.gz BSNQJTLXVANSQQ-UHFFFAOYSA-N 0 1 529.584 6.202 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)N(C(=O)C[C@H](O)C(=O)[O-])C3=O)cc1)O2 ZINC000049808408 562686640 /nfs/dbraw/zinc/68/66/40/562686640.db2.gz DISHVVHOELSQLB-YIWLWJHVSA-N 0 1 730.880 5.787 1 0 KKAFMN C[C@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)c1nn[nH]n1 ZINC000049853636 562689045 /nfs/dbraw/zinc/68/90/45/562689045.db2.gz GKQYYVGEGDRSBE-GOTSBHOMSA-N 0 1 637.209 7.854 1 0 KKAFMN CS(=O)(=O)CCNCc1ccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)s1 ZINC000049867408 562689416 /nfs/dbraw/zinc/68/94/16/562689416.db2.gz VKGQZQGDXLIZTP-UHFFFAOYSA-N 0 1 603.166 6.669 1 0 KKAFMN COC[C@@H]1CCC[N@H+]1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049872481 562690070 /nfs/dbraw/zinc/69/00/70/562690070.db2.gz SVVGZEGLPGLFQA-XIFFEERXSA-N 0 1 730.327 6.825 1 0 KKAFMN O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049917572 562693549 /nfs/dbraw/zinc/69/35/49/562693549.db2.gz KDGHLQNWPWACRF-UHFFFAOYSA-N 0 1 646.201 7.302 1 0 KKAFMN CCCCN1C(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053230797 562696681 /nfs/dbraw/zinc/69/66/81/562696681.db2.gz VOTLOSHWWAQODX-SSEXGKCCSA-N 0 1 569.702 5.074 1 0 KKAFMN CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000058523515 562698565 /nfs/dbraw/zinc/69/85/65/562698565.db2.gz AKCGOXREZJOGPS-UHFFFAOYSA-N 0 1 506.622 5.121 1 0 KKAFMN CCCn1c(C)c(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)cc1-c1ccc(Cl)cc1 ZINC000058541102 562698904 /nfs/dbraw/zinc/69/89/04/562698904.db2.gz UYFMEWDOLMKQRJ-UHFFFAOYSA-N 0 1 507.122 6.086 1 0 KKAFMN CCOc1cc(CN2CCC(NC(=O)c3ccc(N)nc3)CC2)cc(OCc2ccccc2)c1-c1ccc(F)cc1 ZINC000058602866 562700884 /nfs/dbraw/zinc/70/08/84/562700884.db2.gz VGTBCHGQRVWGCK-UHFFFAOYSA-N 0 1 554.666 5.842 1 0 KKAFMN Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nccc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O ZINC000058655646 562701392 /nfs/dbraw/zinc/70/13/92/562701392.db2.gz LWFRBSJHBRLMJP-UHFFFAOYSA-N 0 1 663.581 5.667 1 0 KKAFMN CCCCC[C@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(=Nc1ccc(C)cc1C)C1C(=O)OC(C)(C)OC1=O ZINC000059033315 562701654 /nfs/dbraw/zinc/70/16/54/562701654.db2.gz YJCSDJWCEZYZLC-VWLOTQADSA-N 0 1 548.768 7.823 1 0 KKAFMN COc1ccccc1[C@@H](NC(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1)c1ccccn1 ZINC000061895724 562702899 /nfs/dbraw/zinc/70/28/99/562702899.db2.gz SNDFWWDPMZJTJO-AREMUKBSSA-N 0 1 514.453 5.394 3 0 KKAFMN O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2n1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061906343 562703023 /nfs/dbraw/zinc/70/30/23/562703023.db2.gz WXGJVXKVWKQHHE-NDEPHWFRSA-N 0 1 503.568 6.371 3 0 KKAFMN COc1ccc([C@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2ccccc2C)cn1 ZINC000061930828 562703653 /nfs/dbraw/zinc/70/36/53/562703653.db2.gz JEUHINYNAOUGIF-MHZLTWQESA-N 0 1 528.480 5.702 3 0 KKAFMN COc1ccc([C@@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2ccccc2C)cn1 ZINC000061930826 562703656 /nfs/dbraw/zinc/70/36/56/562703656.db2.gz JEUHINYNAOUGIF-HHHXNRCGSA-N 0 1 528.480 5.702 3 0 KKAFMN O=S(=O)(c1ccc(Cl)c(Cl)c1)N(C[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)CC1CC1 ZINC000064447625 562705386 /nfs/dbraw/zinc/70/53/86/562705386.db2.gz FQUWLGICPYBBAF-SANMLTNESA-N 0 1 588.601 5.162 1 0 KKAFMN O=S(=O)(c1ccc(Cl)c(Cl)c1)N(C[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)CC1CC1 ZINC000064447617 562705418 /nfs/dbraw/zinc/70/54/18/562705418.db2.gz FQUWLGICPYBBAF-AREMUKBSSA-N 0 1 588.601 5.162 1 0 KKAFMN O=C([O-])c1ccc(-c2ccc(OCCc3cc([C@](O)(CC[NH+]4CCOCC4)c4ccc(Cl)cc4)ccc3Cl)cc2)cc1 ZINC000064513155 562706345 /nfs/dbraw/zinc/70/63/45/562706345.db2.gz CYNBHDONBLRMMT-UMSFTDKQSA-N 0 1 606.546 6.938 1 0 KKAFMN CN(CCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1)C(=S)NCCCc1cnc[nH]1 ZINC000064721433 562709069 /nfs/dbraw/zinc/70/90/69/562709069.db2.gz QYMZWBJVJVDZDT-UHFFFAOYSA-N 0 1 535.943 5.056 1 0 KKAFMN C[C@H]1CN(c2ncc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066073931 562709602 /nfs/dbraw/zinc/70/96/02/562709602.db2.gz LENKUUPXOOPDDB-FQEVSTJZSA-N 0 1 621.440 6.800 1 0 KKAFMN CCOC(=O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)Cc2cccc(C3(OC)CCOCC3)c2)c1 ZINC000066073915 562709636 /nfs/dbraw/zinc/70/96/36/562709636.db2.gz 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CS(=O)(=O)c1ccc(-c2nc(-c3ccnc4[nH]c(-c5ccccc5)cc43)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000095578122 562771184 /nfs/dbraw/zinc/77/11/84/562771184.db2.gz SVHGEDVSMMGBNW-UHFFFAOYSA-N 0 1 508.578 6.497 1 0 KKAFMN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@@H+](C)C3)ccc2c(C2CCCC2)c1-c1nccs1 ZINC000095579211 562771471 /nfs/dbraw/zinc/77/14/71/562771471.db2.gz DAHMDSFELYJJLE-UOUHTQAHSA-N 0 1 597.741 5.500 1 0 KKAFMN C[NH+]1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2F)C1 ZINC000095583473 562772906 /nfs/dbraw/zinc/77/29/06/562772906.db2.gz YOMNBFDPZACIQP-UHFFFAOYSA-N 0 1 538.001 5.018 1 0 KKAFMN CS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1 ZINC000095591754 562775770 /nfs/dbraw/zinc/77/57/70/562775770.db2.gz HKTCATSIOBBJNZ-UHFFFAOYSA-N 0 1 507.804 5.038 1 0 KKAFMN O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(-c2nn[nH]c2-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cc2)cc1 ZINC000095594940 562776589 /nfs/dbraw/zinc/77/65/89/562776589.db2.gz LTSVJTNWOOAGTJ-HEVIKAOCSA-N 0 1 681.797 5.483 1 0 KKAFMN O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)cc3[nH]2)cc1 ZINC000095596173 562776913 /nfs/dbraw/zinc/77/69/13/562776913.db2.gz PADLXATYXKWKTJ-HEVIKAOCSA-N 0 1 654.771 5.574 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095598944 562777655 /nfs/dbraw/zinc/77/76/55/562777655.db2.gz RIKKTKCVINKHQI-HQLBTAIYSA-N 0 1 667.556 6.937 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095600302 562778824 /nfs/dbraw/zinc/77/88/24/562778824.db2.gz DWBBIMOOPOSMMP-IKDMDFKBSA-N 0 1 617.549 6.058 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600716 562779142 /nfs/dbraw/zinc/77/91/42/562779142.db2.gz XHCFGJIATIGRMD-WTBTXGFSSA-N 0 1 650.780 5.517 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095600890 562779322 /nfs/dbraw/zinc/77/93/22/562779322.db2.gz CHFYKRHHVBHPRB-GJWZSCNASA-N 0 1 685.693 7.565 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600967 562779350 /nfs/dbraw/zinc/77/93/50/562779350.db2.gz KBXMRUCREHCPDM-ZUDLYUOYSA-N 0 1 672.288 6.068 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600967 562779351 /nfs/dbraw/zinc/77/93/51/562779351.db2.gz KBXMRUCREHCPDM-ZUDLYUOYSA-N 0 1 672.288 6.068 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601612 562779697 /nfs/dbraw/zinc/77/96/97/562779697.db2.gz BXFZIXJRVHHTCE-WYOWBBOASA-N 0 1 678.336 6.448 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601612 562779698 /nfs/dbraw/zinc/77/96/98/562779698.db2.gz BXFZIXJRVHHTCE-WYOWBBOASA-N 0 1 678.336 6.448 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095604037 562780802 /nfs/dbraw/zinc/78/08/02/562780802.db2.gz CHFYKRHHVBHPRB-DLVGFNCXSA-N 0 1 685.693 7.565 1 0 KKAFMN COc1ccc(CN2CCN(c3ccc(Br)cc3NC(=O)c3cc4ccccc4o/c3=N\c3ccccc3)CC2)cc1 ZINC000095604185 562780867 /nfs/dbraw/zinc/78/08/67/562780867.db2.gz QQFLBQDAVMESCN-ZSWXBHCYSA-N 0 1 623.551 7.011 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095604101 562780884 /nfs/dbraw/zinc/78/08/84/562780884.db2.gz ORCUQVZUTYUDHO-VKIDHGPPSA-N 0 1 585.532 5.990 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095604827 562781233 /nfs/dbraw/zinc/78/12/33/562781233.db2.gz QWTHGLUFUCUWTA-RLJUXYCZSA-N 0 1 684.705 7.102 1 0 KKAFMN CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CCN(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000095611025 562784775 /nfs/dbraw/zinc/78/47/75/562784775.db2.gz RDKQAVZIXBHKDK-QNGWXLTQSA-N 0 1 804.921 9.361 1 0 KKAFMN COc1ccccc1NC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1Cl)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680512 562788385 /nfs/dbraw/zinc/78/83/85/562788385.db2.gz SOQATTOXXPOAEE-NPKFRGRUSA-N 0 1 595.140 5.999 1 0 KKAFMN COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095751758 562788811 /nfs/dbraw/zinc/78/88/11/562788811.db2.gz URUYPBZFUNKRKA-FBIDWWCOSA-N 0 1 673.898 5.485 1 0 KKAFMN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@H](C)O3)cc1 ZINC000095771409 562788957 /nfs/dbraw/zinc/78/89/57/562788957.db2.gz XHKHZLHSPYTKDF-PUNARZIMSA-N 0 1 690.838 5.965 1 0 KKAFMN COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095772841 562789009 /nfs/dbraw/zinc/78/90/09/562789009.db2.gz URUYPBZFUNKRKA-ZYMMPZCLSA-N 0 1 673.898 5.485 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC1CCCCC1)OCCCC[C@@H](C)O2 ZINC000095781899 562789042 /nfs/dbraw/zinc/78/90/42/562789042.db2.gz WIHMVTBVTHNAAG-MTCUJEMASA-N 0 1 662.894 5.400 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095836258 562789418 /nfs/dbraw/zinc/78/94/18/562789418.db2.gz CHJXKWAEWBFEIT-WOGZVKCMSA-N 0 1 628.751 5.143 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095847012 562789532 /nfs/dbraw/zinc/78/95/32/562789532.db2.gz NLNOREAGNASAOL-PXFJVXAFSA-N 0 1 643.872 5.476 1 0 KKAFMN COc1ccc2c(c1)[nH]c1c2C2(CCN(Cc3cc(-c4ccccc4)on3)CC2)CN(C(=O)Nc2ccc(F)cc2)[C@H]1CO ZINC000095865533 562789747 /nfs/dbraw/zinc/78/97/47/562789747.db2.gz JTMYGCMOOIOLPA-LJAQVGFWSA-N 0 1 595.675 6.086 1 0 KKAFMN COc1ccc2c(c1)[nH]c1c2C2(CCN(Cc3nccs3)CC2)CN(Cc2ccc(Cl)cc2)[C@@H]1CO ZINC000095867817 562789863 /nfs/dbraw/zinc/78/98/63/562789863.db2.gz ZKLYAUHYXNYSSM-XMMPIXPASA-N 0 1 523.102 5.369 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869146 562789992 /nfs/dbraw/zinc/78/99/92/562789992.db2.gz GFQKDUOYURHVMT-DUELTEGESA-N 0 1 543.683 5.474 1 0 KKAFMN Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1cccc(Cl)c1Cl ZINC000096167761 562790576 /nfs/dbraw/zinc/79/05/76/562790576.db2.gz ZUKCYBKSACCVGT-UHFFFAOYSA-N 0 1 557.507 5.425 1 0 KKAFMN Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12 ZINC000096167807 562790593 /nfs/dbraw/zinc/79/05/93/562790593.db2.gz TUMITOMFWDJDDQ-UHFFFAOYSA-N 0 1 571.534 5.767 1 0 KKAFMN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cn3)c3ncccc23)c1F ZINC000096173433 562791408 /nfs/dbraw/zinc/79/14/08/562791408.db2.gz UCAVVCJHHRIZEP-UHFFFAOYSA-N 0 1 550.034 5.106 1 0 KKAFMN COCC[N@@H+]1CC[C@@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175758 562792017 /nfs/dbraw/zinc/79/20/17/562792017.db2.gz KEQFQZOUNFMJHA-HSZRJFAPSA-N 0 1 661.829 5.442 1 0 KKAFMN COCC[N@H+]1CC[C@@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175758 562792018 /nfs/dbraw/zinc/79/20/18/562792018.db2.gz KEQFQZOUNFMJHA-HSZRJFAPSA-N 0 1 661.829 5.442 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4=CC[N@H+](C)CC4)nc32)c1 ZINC000096175745 562792024 /nfs/dbraw/zinc/79/20/24/562792024.db2.gz LOANICCBOIOMOJ-UHFFFAOYSA-N 0 1 629.787 5.726 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4=CC[N@@H+](C)CC4)nc32)c1 ZINC000096175745 562792025 /nfs/dbraw/zinc/79/20/25/562792025.db2.gz LOANICCBOIOMOJ-UHFFFAOYSA-N 0 1 629.787 5.726 1 0 KKAFMN COc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271830 562793858 /nfs/dbraw/zinc/79/38/58/562793858.db2.gz ZRZOBRDQJAZAHG-UHFFFAOYSA-N 0 1 598.744 5.424 1 0 KKAFMN Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CCN(C2CCCCC2)C3)cc2c[nH]nc21 ZINC000096284742 562795331 /nfs/dbraw/zinc/79/53/31/562795331.db2.gz AMWSJQSAVVUQOG-MGBGTMOVSA-N 0 1 633.797 6.358 1 0 KKAFMN CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 ZINC000096285341 562795504 /nfs/dbraw/zinc/79/55/04/562795504.db2.gz UYTYPQVLRVEZRK-XIFFEERXSA-N 0 1 566.746 6.615 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000096302085 562796232 /nfs/dbraw/zinc/79/62/32/562796232.db2.gz INTDOQGZDPJUHG-UFZHQWOOSA-N 0 1 622.801 6.565 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000096302085 562796233 /nfs/dbraw/zinc/79/62/33/562796233.db2.gz INTDOQGZDPJUHG-UFZHQWOOSA-N 0 1 622.801 6.565 1 0 KKAFMN CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(c4ccccc4N(Cc4ccc(Cl)c(Cl)c4)C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000096892943 562796689 /nfs/dbraw/zinc/79/66/89/562796689.db2.gz QTNSQIABBSIQJF-LLAOUBBZSA-N 0 1 733.490 7.696 1 0 KKAFMN CCCN(c1nccc(C(F)(F)F)n1)C1CCN(C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903319 562797900 /nfs/dbraw/zinc/79/79/00/562797900.db2.gz DGKVXHKWDZKIDE-HUROMRQRSA-N 0 1 591.694 5.674 1 0 KKAFMN CCCN(c1nccc(C(F)(F)F)n1)C1CCN(C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903319 562797901 /nfs/dbraw/zinc/79/79/01/562797901.db2.gz DGKVXHKWDZKIDE-HUROMRQRSA-N 0 1 591.694 5.674 1 0 KKAFMN CN(C[C@@H](CCN1CCC(O)(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903705 562797981 /nfs/dbraw/zinc/79/79/81/562797981.db2.gz SMILDXPOLJCZDH-MSYMSKFLSA-N 0 1 623.646 7.114 1 0 KKAFMN CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903990 562798090 /nfs/dbraw/zinc/79/80/90/562798090.db2.gz SUWLMLOCAPXBKA-HMQVCXRFSA-N 0 1 604.786 6.701 1 0 KKAFMN CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903990 562798091 /nfs/dbraw/zinc/79/80/91/562798091.db2.gz SUWLMLOCAPXBKA-HMQVCXRFSA-N 0 1 604.786 6.701 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(F)cc(F)c5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905558 562798523 /nfs/dbraw/zinc/79/85/23/562798523.db2.gz FMGHAHWYQIMECX-KDVJIWFNSA-N 0 1 528.571 5.443 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cccc(SC)c5)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905571 562798532 /nfs/dbraw/zinc/79/85/32/562798532.db2.gz JXFGPTFQJNMHOU-YKKRIMAJSA-N 0 1 520.695 5.748 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5c(F)cccc5OC)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905560 562798568 /nfs/dbraw/zinc/79/85/68/562798568.db2.gz JJKYQYSLEBRDKL-YAYUTSSISA-N 0 1 522.617 5.174 1 0 KKAFMN COc1ncc(O[C@H](C)c2c(Cl)ccc(F)c2Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000096905624 562798586 /nfs/dbraw/zinc/79/85/86/562798586.db2.gz CJWAMGPKZABYGQ-MRXNPFEDSA-N 0 1 533.431 5.680 1 0 KKAFMN COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)CN1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907737 562799188 /nfs/dbraw/zinc/79/91/88/562799188.db2.gz IZDKLOCKHFWMCL-BNHRFMORSA-N 0 1 588.546 5.445 1 0 KKAFMN COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)CN1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907738 562799211 /nfs/dbraw/zinc/79/92/11/562799211.db2.gz IZDKLOCKHFWMCL-NRUKRWIHSA-N 0 1 588.546 5.445 1 0 KKAFMN CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CCN(C)C(C)(C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096908701 562799444 /nfs/dbraw/zinc/79/94/44/562799444.db2.gz LCCCYUDWOIWMBN-SSWZFYISSA-N 0 1 668.735 7.168 1 0 KKAFMN COc1cc(-c2nc(=O)c3sc(-c4cn(Cc5ccccc5)c5ccccc45)cc3[nH]2)cc(OC)c1OC ZINC000096909356 562799556 /nfs/dbraw/zinc/79/95/56/562799556.db2.gz SYHPQHBNTRWTMS-UHFFFAOYSA-N 0 1 523.614 6.347 1 0 KKAFMN COc1cc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1cc(C)ccc1O ZINC000096909591 562799659 /nfs/dbraw/zinc/79/96/59/562799659.db2.gz PGYWNPFFRWTCDQ-BKMJKUGQSA-N 0 1 533.669 5.172 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5ccc(Br)cc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910314 562799926 /nfs/dbraw/zinc/79/99/26/562799926.db2.gz AWESBRIHXSCJKS-SGUQQXKUSA-N 0 1 571.487 5.928 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(F)ccc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910299 562799936 /nfs/dbraw/zinc/79/99/36/562799936.db2.gz ZHEWFNDKFYBUDO-SGUQQXKUSA-N 0 1 510.581 5.304 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cccc(OC)c5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910316 562799960 /nfs/dbraw/zinc/79/99/60/562799960.db2.gz AYKFOTMUATXILD-GJDJWMGOSA-N 0 1 522.617 5.174 1 0 KKAFMN COc1cc(CCC(=O)C=C(O)CCc2cc(CCC(C)C)c(O)c(OC)c2)cc(CCC(C)C)c1O ZINC000096928441 562802893 /nfs/dbraw/zinc/80/28/93/562802893.db2.gz RGQRMXOWQQAADE-UHFFFAOYSA-N 0 1 512.687 6.386 1 0 KKAFMN C=C1N=C(C)C(C(=O)OC)[C@@H](c2ccc3nc(-c4ccc(OC)cc4)n(Cc4ccc(OC)cc4)c3c2)C1C(=O)OC ZINC000100028514 562806203 /nfs/dbraw/zinc/80/62/03/562806203.db2.gz HIIKLNRXOPRDDM-UFNKWHAYSA-N 0 1 567.642 6.190 1 0 KKAFMN O=c1oc2c(c(O)c1[C@H](c1cccc(N(CCc3ccccc3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000100764205 562807778 /nfs/dbraw/zinc/80/77/78/562807778.db2.gz ZFGPFFIJAJKYDP-YTTGMZPUSA-N 0 1 583.750 6.984 1 0 KKAFMN O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(Oc4ccc(-c5ccccc5)cc4)cc2)C3)cc1 ZINC000101180758 562809744 /nfs/dbraw/zinc/80/97/44/562809744.db2.gz KGYJSEPGYDIMDF-RLPLKTQASA-N 0 1 504.630 7.452 1 0 KKAFMN Cn1c(=O)c([C@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2cccc(Br)c2)c(O)c2ccccc21 ZINC000101425595 562810680 /nfs/dbraw/zinc/81/06/80/562810680.db2.gz TTYJVAAAFMPNHL-GDLZYMKVSA-N 0 1 607.504 7.068 1 0 KKAFMN CC(=O)O[C@H]1C[C@]2(CO)[C@@H]3CC[C@]4(C)[C@@H](C)C([O-])=CC(=O)[C@H]4[C@]3(C)CC[C@@]2(C)[C@H]2CC(C)(C)CC[C@@]21C ZINC000103162289 562814610 /nfs/dbraw/zinc/81/46/10/562814610.db2.gz LGNUPYROIAIKBW-HZHKTAMSSA-N 0 1 514.747 6.150 1 0 KKAFMN C[NH+]1CCN(CCCNc2nc3c(c(=N)n2-c2ccccc2)c(=S)n(-c2ccccc2)c(=S)n3-c2ccccc2)CC1 ZINC000103165490 562814619 /nfs/dbraw/zinc/81/46/19/562814619.db2.gz MLQKTZNSXUACNS-UHFFFAOYSA-N 0 1 594.814 5.595 1 0 KKAFMN CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000103171180 562814846 /nfs/dbraw/zinc/81/48/46/562814846.db2.gz MELMEHYDWWBWGC-UHFFFAOYSA-N 0 1 574.070 5.275 1 0 KKAFMN C[C@](N)(COP(=O)([O-])[O-])c1nnc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)s1 ZINC000103238260 562819091 /nfs/dbraw/zinc/81/90/91/562819091.db2.gz MQCHMDXDEYGIFG-DEOSSOPVSA-N 0 1 565.510 5.753 1 0 KKAFMN Cc1cnc(Nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)nc1-c1ccc(OC(F)(F)F)cc1 ZINC000103241196 562819553 /nfs/dbraw/zinc/81/95/53/562819553.db2.gz 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/nfs/dbraw/zinc/83/03/02/562830302.db2.gz WVGSOXRZIVSEQO-UHFFFAOYSA-N 0 1 615.660 5.754 1 0 KKAFMN COc1ccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000144545706 562836406 /nfs/dbraw/zinc/83/64/06/562836406.db2.gz FCEQFHOHNCPYHD-SSEXGKCCSA-N 0 1 532.641 5.393 1 0 KKAFMN CC(C)(C)n1cc(C[N@@H+]2CC[C@@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)C2)c(-c2ccc(F)c(F)c2F)n1 ZINC000144623787 562836526 /nfs/dbraw/zinc/83/65/26/562836526.db2.gz BKWNZAPXGXJSPH-MHZLTWQESA-N 0 1 528.531 5.022 1 0 KKAFMN CC(C)(C)n1cc(C[N@H+]2CC[C@@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)C2)c(-c2ccc(F)c(F)c2F)n1 ZINC000144623787 562836527 /nfs/dbraw/zinc/83/65/27/562836527.db2.gz BKWNZAPXGXJSPH-MHZLTWQESA-N 0 1 528.531 5.022 1 0 KKAFMN C[C@@H]1CN(Cc2cccc(C=Cc3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)c2)C[C@H](C)O1 ZINC000144981166 562836783 /nfs/dbraw/zinc/83/67/83/562836783.db2.gz AXZZLIJZGQLQEJ-WKNQAKRMSA-N 0 1 504.634 5.720 1 0 KKAFMN CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C(F)=C\CN(C)C ZINC000145220779 562836917 /nfs/dbraw/zinc/83/69/17/562836917.db2.gz LHHLPNVJMCVRGH-LSHDLFTRSA-N 0 1 551.022 5.753 1 0 KKAFMN CCc1cccc(CC)c1NC(=O)c1onc2c1CCCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2 ZINC000145926037 562837776 /nfs/dbraw/zinc/83/77/76/562837776.db2.gz VBFFYCUZDQIVOT-UHFFFAOYSA-N 0 1 581.721 5.501 1 0 KKAFMN C[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147372910 562839324 /nfs/dbraw/zinc/83/93/24/562839324.db2.gz PNKQRDZEXXNSKU-MEICJLBASA-N 0 1 582.536 5.762 1 0 KKAFMN COc1ccc(C)cc1C[N@H+]1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148850578 562841885 /nfs/dbraw/zinc/84/18/85/562841885.db2.gz JLCSBEYIVBVEFV-QHCPKHFHSA-N 0 1 515.094 5.715 1 0 KKAFMN COc1cc(F)ccc1CN1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148942547 562842002 /nfs/dbraw/zinc/84/20/02/562842002.db2.gz LCIDHVYSTRBEEO-QFIPXVFZSA-N 0 1 519.057 5.546 1 0 KKAFMN Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3ccc(-c4ccc(Cl)cc4)s3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)o1 ZINC000150363879 562843343 /nfs/dbraw/zinc/84/33/43/562843343.db2.gz NQBHHXONDCQLRN-NWPKOSFFSA-N 0 1 852.376 6.417 1 0 KKAFMN CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(c4ccccc4N(Cc4ccc(Cl)c(Cl)c4)C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000150546406 562844466 /nfs/dbraw/zinc/84/44/66/562844466.db2.gz QTNSQIABBSIQJF-WQEFHEACSA-N 0 1 733.490 7.696 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585614 562845793 /nfs/dbraw/zinc/84/57/93/562845793.db2.gz JWXUCBMYUIXWKS-DYKQPOOOSA-N 0 1 759.868 6.392 1 0 KKAFMN COc1ccc([C@H]2S[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588792 562846065 /nfs/dbraw/zinc/84/60/65/562846065.db2.gz DEHAHKKDJRYULL-RKGUSQQBSA-N 0 1 801.930 6.270 1 0 KKAFMN NC(=O)c1c(F)ccc(O[C@H](COC(=O)NCCc2cnc[nH]2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593691 562846450 /nfs/dbraw/zinc/84/64/50/562846450.db2.gz RBAAYWOHJRNGIN-QGZVFWFLSA-N 0 1 644.351 5.312 1 0 KKAFMN COc1cccc(NS(C)(=O)=O)c1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000150603134 562847384 /nfs/dbraw/zinc/84/73/84/562847384.db2.gz UNFSVUGGDWHOPR-QHCPKHFHSA-N 0 1 647.480 5.538 1 0 KKAFMN CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](C)NC(=O)OC)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150603389 562847418 /nfs/dbraw/zinc/84/74/18/562847418.db2.gz XGOPQHNOBPMOHT-QQFMLMFISA-N 0 1 742.925 7.288 1 0 KKAFMN CNC(=O)CN1CCC(c2cc(OC(C)C)c(Nc3nc4n[nH]c(C)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000162986588 562849302 /nfs/dbraw/zinc/84/93/02/562849302.db2.gz LVVWMSJGQCRQKQ-UHFFFAOYSA-N 0 1 648.834 5.352 1 0 KKAFMN COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CCC[C@]3(C1)C[N@@H+](C)C4)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165414772 562850236 /nfs/dbraw/zinc/85/02/36/562850236.db2.gz VALIENGUOYGZQE-BRXSWJRSSA-N 0 1 698.930 6.264 1 0 KKAFMN CC(C)(C)c1nc(-c2cc(F)cc([N-]S(=O)(=O)c3c(F)cccc3F)c2Cl)c(-c2ccnc(N)n2)[nH]1 ZINC000169136130 562851649 /nfs/dbraw/zinc/85/16/49/562851649.db2.gz KZMYCEFLGQGPOK-UHFFFAOYSA-N 0 1 536.967 5.285 1 0 KKAFMN CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cc(F)cc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)[nH]1 ZINC000169136130 562851650 /nfs/dbraw/zinc/85/16/50/562851650.db2.gz KZMYCEFLGQGPOK-UHFFFAOYSA-N 0 1 536.967 5.285 1 0 KKAFMN CC(C)(C)c1nc(-c2cc(F)cc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)c(-c2ccnc(N)n2)[nH]1 ZINC000169136130 562851651 /nfs/dbraw/zinc/85/16/51/562851651.db2.gz KZMYCEFLGQGPOK-UHFFFAOYSA-N 0 1 536.967 5.285 1 0 KKAFMN CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO ZINC000169303233 562853160 /nfs/dbraw/zinc/85/31/60/562853160.db2.gz NEFWYBQTGGELJS-YMZJSSRLSA-N 0 1 623.823 5.516 1 0 KKAFMN Cc1ccc2nc(-c3ccc(-n4nc5c(c4-c4ccccc4)N(C)S(=O)(=O)c4ccccc4-5)cc3)[nH]c2c1 ZINC000169307446 562853807 /nfs/dbraw/zinc/85/38/07/562853807.db2.gz NEVHAFZZHGIBDO-UHFFFAOYSA-N 0 1 517.614 6.197 1 0 KKAFMN CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311017 562854997 /nfs/dbraw/zinc/85/49/97/562854997.db2.gz MRMMGDLQIQYRDA-FHZWTJGSSA-N 0 1 590.798 5.610 1 0 KKAFMN CC1=C(C[N@H+]2CCC[C@H]2COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)[C@@H]2C(C)=C(OCc3ccccc3)C(C)=C(C)[C@@H]2O1 ZINC000169313800 562855649 /nfs/dbraw/zinc/85/56/49/562855649.db2.gz WVDCGUJDPGZFDC-UDRKEFQJSA-N 0 1 600.781 6.554 1 0 KKAFMN O=C([O-])/C=C\CCCN1C(=O)C[C@]23C[N@@H+]4CC[C@H]2C(c2nccc5c6ccccc6[nH]c52)=C[C@@](O)(CC/C=C\CCCC4)[C@H]13 ZINC000169326886 562857879 /nfs/dbraw/zinc/85/78/79/562857879.db2.gz XYVSFWIZDFYJPS-YCLMMPFWSA-N 0 1 594.756 5.695 1 0 KKAFMN Oc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(c7ccc(F)cc7)CC6)ccc5[nH]4)cc3[nH]2)cc1 ZINC000169352524 562863131 /nfs/dbraw/zinc/86/31/31/562863131.db2.gz MYOFLBOOAOCEJA-UHFFFAOYSA-N 0 1 504.569 5.945 1 0 KKAFMN CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000169682082 562865012 /nfs/dbraw/zinc/86/50/12/562865012.db2.gz VHLSNTRFOREKLA-CQVYMVDESA-N 0 1 794.939 5.459 1 0 in-man KKAFMN CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000169686896 562865127 /nfs/dbraw/zinc/86/51/27/562865127.db2.gz PLWWMLKFJZRSNN-LHEWISCISA-N 0 1 656.791 5.395 1 0 KKAFMN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2F)n1 ZINC000169694682 562865494 /nfs/dbraw/zinc/86/54/94/562865494.db2.gz PZDWVQBLCQRYSV-AWEZNQCLSA-N 0 1 668.073 6.180 1 0 KKAFMN O=C(NC1(C(=O)N[C@@H]2CCCc3cc(-c4cc(Cl)cc(Cl)c4OCC(F)F)ccc32)CC1)C(F)(F)F ZINC000169697126 562866428 /nfs/dbraw/zinc/86/64/28/562866428.db2.gz VWEXBIUSTBETLM-GOSISDBHSA-N 0 1 551.339 6.009 1 0 KKAFMN COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)C[C@H]2C ZINC000169702204 562868248 /nfs/dbraw/zinc/86/82/48/562868248.db2.gz REJXPVDGVBXCKX-GOSISDBHSA-N 0 1 530.076 5.361 1 0 KKAFMN CC(C)c1nc(CN(C)C(=O)N2Cc3[nH]cnc3C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000200644464 562873407 /nfs/dbraw/zinc/87/34/07/562873407.db2.gz YUTMPZJGRVRLLE-USIGKAAMSA-N 0 1 754.983 6.470 1 0 KKAFMN O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000205036911 562874833 /nfs/dbraw/zinc/87/48/33/562874833.db2.gz AYHUWYHEOPREIH-UHFFFAOYSA-N 0 1 596.536 6.601 1 0 KKAFMN CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc3n1C2 ZINC000205365003 562875248 /nfs/dbraw/zinc/87/52/48/562875248.db2.gz MTTZZZXOFXUQFU-XAGYTNDLSA-N 0 1 673.880 5.083 1 0 KKAFMN O=C(c1cnc2ccc(-c3ccc([O-])c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000219859789 562878300 /nfs/dbraw/zinc/87/83/00/562878300.db2.gz IFGHBOINVBTUBN-UHFFFAOYSA-N 0 1 500.002 5.402 1 0 KKAFMN O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(c2ccccc2C(F)F)CC1 ZINC000224362427 562880430 /nfs/dbraw/zinc/88/04/30/562880430.db2.gz SPSTWGVOXKBKQB-UHFFFAOYSA-N 0 1 537.588 5.097 1 0 KKAFMN COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1c(F)cc3c(ccn3C)c1F)c1nc-2c(Cl)[nH]1 ZINC000230573257 562881104 /nfs/dbraw/zinc/88/11/04/562881104.db2.gz DPYMTVWFKSKCCY-UGSOOPFHSA-N 0 1 585.011 5.908 1 0 KKAFMN CCCCN(CCCC)C(=O)[C@H](C)[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000253633447 562882083 /nfs/dbraw/zinc/88/20/83/562882083.db2.gz MUDAUNJNTOHWSU-VYLXUYPLSA-N 0 1 524.658 5.083 1 0 KKAFMN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@H](C)N(C)[C@@H](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299826950 562884034 /nfs/dbraw/zinc/88/40/34/562884034.db2.gz FJTHZODJYYGEFT-GOTSBHOMSA-N 0 1 568.722 5.230 1 0 KKAFMN Cc1c(Nc2ncnc3ccccc32)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCN(C)CC3)cn2)c1C ZINC000299829925 562885050 /nfs/dbraw/zinc/88/50/50/562885050.db2.gz IEXDEOIDEMDRGW-UHFFFAOYSA-N 0 1 532.652 5.648 1 0 KKAFMN COc1ccc(-c2c(C(=O)N3CCC(Cc4ccccc4)CC3)noc2-c2cc(Cl)c(O)cc2O)cc1 ZINC000299839235 562888123 /nfs/dbraw/zinc/88/81/23/562888123.db2.gz RZMJNRYOWNOBSV-UHFFFAOYSA-N 0 1 518.997 6.177 1 0 KKAFMN Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2nc3nc[nH]c3c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299840236 562888480 /nfs/dbraw/zinc/88/84/80/562888480.db2.gz WEPJXNOWNHMCFH-UHFFFAOYSA-N 0 1 616.648 5.970 1 0 KKAFMN Cc1ccc(N(CCCN2CCN(Cc3ccc(F)cc3)C[C@@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856214 562891903 /nfs/dbraw/zinc/89/19/03/562891903.db2.gz IRXPYSOEJZVFBM-MHZLTWQESA-N 0 1 605.198 6.269 1 0 KKAFMN O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863848 562893939 /nfs/dbraw/zinc/89/39/39/562893939.db2.gz LRIVUPRHLMQOGF-OJWOXQGASA-N 0 1 606.166 6.980 1 0 KKAFMN O=c1sc2ccccc2n1CCCCCCN1CC[NH+](CCCCCn2c3ccccc3sc2=O)CC1 ZINC000473083138 562896781 /nfs/dbraw/zinc/89/67/81/562896781.db2.gz MOXZXTRBGJTDDX-UHFFFAOYSA-N 0 1 538.783 5.488 1 0 KKAFMN CCCCCCNc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086810 562897094 /nfs/dbraw/zinc/89/70/94/562897094.db2.gz CUSMDTSIZNVXNX-PMERELPUSA-N 0 1 529.725 6.154 1 0 KKAFMN C=CC(=O)Nc1cccc(CSc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1 ZINC000473088511 562897323 /nfs/dbraw/zinc/89/73/23/562897323.db2.gz INEGCWHUCAWJDA-UHFFFAOYSA-N 0 1 525.078 5.051 1 0 KKAFMN COc1ccccc1C(=O)NCCNc1cc(C)ccc1NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC ZINC000473113296 562898785 /nfs/dbraw/zinc/89/87/85/562898785.db2.gz IKQYXCJNJUFCPR-UHFFFAOYSA-N 0 1 525.671 5.087 1 0 KKAFMN COc1cc2oc(-c3ccc(OCCCCN4CC[NH+](Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000473114035 562898886 /nfs/dbraw/zinc/89/88/86/562898886.db2.gz LNASBBXMSDPABY-UHFFFAOYSA-N 0 1 558.675 5.463 1 0 KKAFMN COc1ccccc1C[N@@H+](C)CCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1 ZINC000473116237 562899117 /nfs/dbraw/zinc/89/91/17/562899117.db2.gz VVXREPJRHYMKAQ-UHFFFAOYSA-N 0 1 519.594 5.395 1 0 KKAFMN CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136165 562900934 /nfs/dbraw/zinc/90/09/34/562900934.db2.gz NMZKUZFCZYLPLW-IWYKLHMASA-N 0 1 571.146 7.433 1 0 KKAFMN CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136168 562900970 /nfs/dbraw/zinc/90/09/70/562900970.db2.gz NMZKUZFCZYLPLW-WXDXAWNOSA-N 0 1 571.146 7.433 1 0 KKAFMN Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3nc4c(cc(Cl)cc4C)[nH]3)c3cccc(F)c3)c(Cl)c2)n1 ZINC000473154387 562902124 /nfs/dbraw/zinc/90/21/24/562902124.db2.gz GUQYDHZACNNLCK-IBGZPJMESA-N 0 1 557.844 6.422 1 0 KKAFMN CN(C)[C@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159176 562902617 /nfs/dbraw/zinc/90/26/17/562902617.db2.gz NIOXRINDLTWWCL-IGKWTDBASA-N 0 1 581.588 6.535 1 0 KKAFMN O=C(c1ccc(-c2ccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)cc2)s1)c1cccc(O)c1 ZINC000473169927 562903121 /nfs/dbraw/zinc/90/31/21/562903121.db2.gz OTSUAZDCLJWLTA-UHFFFAOYSA-N 0 1 598.418 6.814 1 0 KKAFMN Cc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473228760 562904304 /nfs/dbraw/zinc/90/43/04/562904304.db2.gz FDASGQXFJFJJMH-WHCXKFMVSA-N 0 1 553.099 5.557 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]2CCc3cc(Cl)c(C)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473228898 562904418 /nfs/dbraw/zinc/90/44/18/562904418.db2.gz VSXYYFTWHCJPRK-WHCXKFMVSA-N 0 1 583.125 5.565 1 0 KKAFMN O=C([O-])[C@H]1CC[C@H](C[N@@H+](Cc2ccc(OCCN3C(=O)CCC3=O)c(F)c2)[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000473243795 562904701 /nfs/dbraw/zinc/90/47/01/562904701.db2.gz AXGXTDQZOJUSSK-ZVOVDXHFSA-N 0 1 557.062 5.387 1 0 KKAFMN Cc1cc(C[N@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473243929 562904764 /nfs/dbraw/zinc/90/47/64/562904764.db2.gz FSMLDTQPTMJAHS-MQSCRBSSSA-N 0 1 590.548 6.029 1 0 KKAFMN C[C@H](c1ccc(Cl)c(F)c1)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473244479 562904836 /nfs/dbraw/zinc/90/48/36/562904836.db2.gz MJFAMCDWEPSBQU-SFHLNBCPSA-N 0 1 563.041 5.600 1 0 KKAFMN CCc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473244928 562904889 /nfs/dbraw/zinc/90/48/89/562904889.db2.gz QAIKQBSZICCLPA-JQYIIUTOSA-N 0 1 562.707 5.166 1 0 KKAFMN O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)cc1 ZINC000653672867 562906190 /nfs/dbraw/zinc/90/61/90/562906190.db2.gz LSQYRMKKKCATAK-UHFFFAOYSA-N 0 1 611.166 6.867 1 0 KKAFMN CC[C@@H](C)[C@H](NC(=O)OC)C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5)cc4)ccc3c2[nH]1 ZINC000653696833 562907027 /nfs/dbraw/zinc/90/70/27/562907027.db2.gz HFAJQSAIXPXJMA-JVCWFWRSSA-N 0 1 821.068 7.719 1 0 KKAFMN CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5)cc4)ccc3c2[nH]1 ZINC000653696832 562907031 /nfs/dbraw/zinc/90/70/31/562907031.db2.gz HFAJQSAIXPXJMA-FJKBPCTPSA-N 0 1 821.068 7.719 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000653701034 562907398 /nfs/dbraw/zinc/90/73/98/562907398.db2.gz GQPSVVAMVNMEAC-JTSJOTPCSA-N 0 1 570.550 5.038 1 0 KKAFMN CCCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)c(OCCCC)c2=O ZINC000653701038 562907442 /nfs/dbraw/zinc/90/74/42/562907442.db2.gz GSMSNEOZIULMAW-QCENPCRXSA-N 0 1 592.641 6.111 1 0 KKAFMN Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCCC3)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653769225 562911800 /nfs/dbraw/zinc/91/18/00/562911800.db2.gz MTLYSRUJNCWFOX-UHFFFAOYSA-N 0 1 543.067 6.350 1 0 KKAFMN CN(C)C(=O)c1ccc(N(Cc2csc3ccc(Cl)cc23)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653775789 562911927 /nfs/dbraw/zinc/91/19/27/562911927.db2.gz QDRYXLCNBCTYLM-UHFFFAOYSA-N 0 1 515.418 6.168 1 0 KKAFMN Cc1ccc(-c2nnc(-c3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)o2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653795306 562913029 /nfs/dbraw/zinc/91/30/29/562913029.db2.gz WJZXVRKQMXESIV-UHFFFAOYSA-N 0 1 586.622 6.074 1 0 KKAFMN COc1ccc(NC(=O)c2cccc3nc(-c4cc(Br)nn4-c4ncccc4Cl)[nH]c32)cc1 ZINC000653821056 562914104 /nfs/dbraw/zinc/91/41/04/562914104.db2.gz PBLWPQAHNVMADF-UHFFFAOYSA-N 0 1 523.778 5.487 1 0 KKAFMN O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653823212 562914247 /nfs/dbraw/zinc/91/42/47/562914247.db2.gz DYGWHIBPBRFXAV-UHFFFAOYSA-N 0 1 575.776 6.175 1 0 KKAFMN O=C(Nc1ccc(F)c(F)c1F)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653825939 562914422 /nfs/dbraw/zinc/91/44/22/562914422.db2.gz VQMCTULOBRLABC-UHFFFAOYSA-N 0 1 547.722 5.896 1 0 KKAFMN COc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653827947 562914439 /nfs/dbraw/zinc/91/44/39/562914439.db2.gz VDKKUKPZFJTJMF-UHFFFAOYSA-N 0 1 591.775 6.506 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5cc(Cl)c4c3)cc2)c[nH]1)C(C)C ZINC000653866689 562916271 /nfs/dbraw/zinc/91/62/71/562916271.db2.gz DVNZPVWITWXALC-BBACVFHCSA-N 0 1 797.357 7.515 1 0 KKAFMN CN1CCN(c2ccc(NC(=O)c3cc4cc(N)ccc4n3Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000653912117 562917709 /nfs/dbraw/zinc/91/77/09/562917709.db2.gz FADYVQNQTPRSDW-UHFFFAOYSA-N 0 1 507.560 5.295 1 0 KKAFMN COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1F ZINC000653915949 562917850 /nfs/dbraw/zinc/91/78/50/562917850.db2.gz FACHTCSYYAXJQX-UHFFFAOYSA-N 0 1 611.678 5.024 1 0 KKAFMN COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3c(OC)c4c(c(c13)Oc1c3c(cc(OC)c1OC)[C@H](C2)N(C)CC3)OCO4 ZINC000085976800 565171066 /nfs/dbraw/zinc/17/10/66/565171066.db2.gz OSOKLEWJPLGVBW-NDEPHWFRSA-N 0 1 648.712 7.258 1 0 biogenic,in-vitro KKAFMN COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CCN4C)cc3)c1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C ZINC000095098971 565172152 /nfs/dbraw/zinc/17/21/52/565172152.db2.gz OCQIGPWTTUGDSS-VMPREFPWSA-N 0 1 668.787 6.457 1 0 biogenic,in-vitro KKAFMN COc1cc2c(cc1Cc1c3c(cc(OC)c1OC)[C@@H]1c4cc(OC)c(OC)cc4[C@@H](C[N@H+]1C)C3)[C@H](Cc1ccccc1O)[NH+](C)CC2 ZINC000095485886 565173604 /nfs/dbraw/zinc/17/36/04/565173604.db2.gz ZFHSYOTXRSKBGC-PPPOZOIESA-N 0 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMN S=C1N=NC(c2ccccc2Nc2ccccc2-c2n[nH]c(=S)n2-c2ccccc2)N1c1ccccc1 ZINC000001860677 561679755 /nfs/dbraw/zinc/67/97/55/561679755.db2.gz HNESGFUTTPCSLW-UHFFFAOYSA-N 0 1 519.659 6.877 1 0 KKAFMN FC(F)(F)c1cc(CO[C@@H]2C3CCN(CC3)[C@H]2[C@H](Cc2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000003921942 561685784 /nfs/dbraw/zinc/68/57/84/561685784.db2.gz KJQHHFWZKACGAF-OZNIXHKMSA-N 0 1 533.556 7.730 1 0 KKAFMN O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000003937465 561688744 /nfs/dbraw/zinc/68/87/44/561688744.db2.gz RBPBEGQBSIAIKS-LHEWISCISA-N 0 1 699.852 6.483 1 0 KKAFMN CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCOCc1ccccc1 ZINC000003939724 561689027 /nfs/dbraw/zinc/68/90/27/561689027.db2.gz DMDNVTGBTWNCCO-AARKOHAPSA-N 0 1 689.813 5.229 1 0 KKAFMN COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4Cl)cc3)cc2[nH]1 ZINC000004846177 561695511 /nfs/dbraw/zinc/69/55/11/561695511.db2.gz DZCUBLTYHLRLAF-UHFFFAOYSA-N 0 1 519.867 6.272 1 0 KKAFMN COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@@H+](CCCCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455702 561713577 /nfs/dbraw/zinc/71/35/77/561713577.db2.gz UBOQJBBPZXYJQV-NRFANRHFSA-N 0 1 509.662 6.846 1 0 KKAFMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3cnn(-c4ccccc4Cl)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000008596584 561706048 /nfs/dbraw/zinc/70/60/48/561706048.db2.gz PUSYAMFIXJNMBE-UHFFFAOYSA-N 0 1 635.253 6.199 1 0 KKAFMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3cnn(-c4ccccc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000008597300 561706228 /nfs/dbraw/zinc/70/62/28/561706228.db2.gz FCNDFKHBBHDXAF-UHFFFAOYSA-N 0 1 600.808 5.546 1 0 KKAFMN CC(c1ccc([S@@](=O)C(C)C)cc1)=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1 ZINC000013492460 561716262 /nfs/dbraw/zinc/71/62/62/561716262.db2.gz BERXHPPZKOVMEH-KXQOOQHDSA-N 0 1 532.725 6.669 1 0 KKAFMN COc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761663 561728000 /nfs/dbraw/zinc/72/80/00/561728000.db2.gz FHAHURNGIVLDQN-RUZDIDTESA-N 0 1 509.624 5.356 1 0 KKAFMN Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nncn12 ZINC000013587836 561720920 /nfs/dbraw/zinc/72/09/20/561720920.db2.gz SACRSUCIYWDREQ-AREMUKBSSA-N 0 1 500.393 5.235 1 0 KKAFMN CC(C)[C@@H](O)c1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[nH]1 ZINC000013738587 561725806 /nfs/dbraw/zinc/72/58/06/561725806.db2.gz ICRGHZIYDWWKSI-CFBHAYGYSA-N 0 1 507.675 5.312 1 0 KKAFMN Cc1cc2c(cc1C)c(-c1ccccc1)c(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n(C)c2=O ZINC000013742635 561726333 /nfs/dbraw/zinc/72/63/33/561726333.db2.gz XTYCUJXOJHSJKH-UHFFFAOYSA-N 0 1 518.501 7.150 1 0 KKAFMN CC(C)(C)OC(=O)NCCC(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744224 561726584 /nfs/dbraw/zinc/72/65/84/561726584.db2.gz JGEWEYMENDBLHO-DEOSSOPVSA-N 0 1 510.631 5.400 1 0 KKAFMN O=C(Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCN(C(=O)c1cccc3ccccc31)C2)NC1CCCCC1 ZINC000013803062 561730947 /nfs/dbraw/zinc/73/09/47/561730947.db2.gz BTBGNYNSFZIXDH-UHFFFAOYSA-N 0 1 522.653 5.680 1 0 KKAFMN O=C(Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCN(C(=O)c1cccc3ccccc31)C2)C1CCCCC1 ZINC000013803057 561730963 /nfs/dbraw/zinc/73/09/63/561730963.db2.gz KSJMERNNAXCVER-UHFFFAOYSA-N 0 1 507.638 5.744 1 0 KKAFMN O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(CC4)N3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000013860004 561734473 /nfs/dbraw/zinc/73/44/73/561734473.db2.gz RHNOFZVTGNOXAN-ZVGZTULCSA-N 0 1 527.668 7.009 1 0 KKAFMN Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)N4Cc4ccccc43)c(Cl)c2)c1 ZINC000013860005 561734523 /nfs/dbraw/zinc/73/45/23/561734523.db2.gz ZTTPWJKHMBAEQQ-LCRYKWFRSA-N 0 1 518.032 6.443 1 0 KKAFMN C[C@@H](Nc1cc(-c2[nH]c(SCc3ccc([S@](C)=O)cc3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000014177072 561737331 /nfs/dbraw/zinc/73/73/31/561737331.db2.gz SZLYSQJIZDNCQP-WPLJPSAOSA-N 0 1 542.705 7.481 1 0 KKAFMN COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c53)CCCC4)c2c1 ZINC000014946304 561743454 /nfs/dbraw/zinc/74/34/54/561743454.db2.gz HSPZASVVTPKCGM-UHFFFAOYSA-N 0 1 567.561 7.632 1 0 KKAFMN CSCC[C@H](NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1ccccc1C)C(=O)OCc1ccccc1 ZINC000014960866 561748446 /nfs/dbraw/zinc/74/84/46/561748446.db2.gz UIOVGRXEBWMUQT-LJAQVGFWSA-N 0 1 542.705 5.270 1 0 KKAFMN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2SC)c1Cl ZINC000014963175 561748993 /nfs/dbraw/zinc/74/89/93/561748993.db2.gz QPSUSLWQDBYHKB-UHFFFAOYSA-N 0 1 584.938 6.151 1 0 KKAFMN COc1ccc2c(c1)CCC(CN1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)=C2 ZINC000019360481 561758347 /nfs/dbraw/zinc/75/83/47/561758347.db2.gz JIIRENXDZVBJNH-UHFFFAOYSA-N 0 1 504.621 5.727 1 0 KKAFMN CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc65)cc(Cl)c4o3)ccc2Cl)CC1 ZINC000023359498 561762207 /nfs/dbraw/zinc/76/22/07/561762207.db2.gz JPWMAVZTWDLRIZ-UHFFFAOYSA-N 0 1 534.447 6.966 1 0 KKAFMN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1 ZINC000026247026 561773425 /nfs/dbraw/zinc/77/34/25/561773425.db2.gz ZFLXSLWPWICHNH-YDPTYEFTSA-N 0 1 669.933 5.455 1 0 KKAFMN CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1=C(O)c1ccc2c(c1OC)OCO2 ZINC000026250851 561774143 /nfs/dbraw/zinc/77/41/43/561774143.db2.gz ZGTFYUUHNMVNKA-FEMYRPFKSA-N 0 1 686.795 6.020 1 0 KKAFMN O=C(N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000026270038 561776979 /nfs/dbraw/zinc/77/69/79/561776979.db2.gz IFCFNTZOGXOQEH-PDHQKIGBSA-N 0 1 644.926 6.421 1 0 KKAFMN COc1cc(OC2CCN([C@@H]3CCCc4c3ccc[n+]4[O-])CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026282631 561779217 /nfs/dbraw/zinc/77/92/17/561779217.db2.gz GRKWMUZMGMYCOJ-WJOKGBTCSA-N 0 1 612.727 5.011 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(F)ccc76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026394338 561786560 /nfs/dbraw/zinc/78/65/60/561786560.db2.gz OIOVAOKOOPXOIV-UHFFFAOYSA-N 0 1 658.792 6.037 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccnc1 ZINC000026579099 561804162 /nfs/dbraw/zinc/80/41/62/561804162.db2.gz SZOUSEZBVHLILP-TXQSWDKBSA-N 0 1 592.614 5.338 1 0 KKAFMN CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@@](C)(Cc2n[nH]c3ccccc32)C1=O)c1ccccc1 ZINC000026579774 561805228 /nfs/dbraw/zinc/80/52/28/561805228.db2.gz XTYJISWOPRQVIJ-DHUJRADRSA-N 0 1 571.681 6.265 1 0 KKAFMN O=S(=O)(c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)N(Cc1cnc[nH]1)CC1CCCCC1 ZINC000026663929 561810688 /nfs/dbraw/zinc/81/06/88/561810688.db2.gz ZPXINRJMXDYWRS-UHFFFAOYSA-N 0 1 561.674 5.526 1 0 KKAFMN COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CCC4CC5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026672111 561812672 /nfs/dbraw/zinc/81/26/72/561812672.db2.gz OXLWKCOVWCVMRM-WPWMEQJKSA-N 0 1 538.644 6.626 1 0 KKAFMN CC(C)C(=O)Nc1nc2c(c(=O)[n-]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000026745608 561818811 /nfs/dbraw/zinc/81/88/11/561818811.db2.gz ZVWDWHLXLHRYDF-VMPREFPWSA-O 0 1 585.688 5.255 1 0 KKAFMN CCOC(=O)C1=C(COCCn2c(C)nc(C)c2C)NC(C)=C(C(=O)NC(C)(C)C)[C@@H]1c1ccccc1Cl ZINC000026829478 561822618 /nfs/dbraw/zinc/82/26/18/561822618.db2.gz FWGSJRZOTIAHEE-HGKLSIKASA-N 0 1 543.108 5.712 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000026964858 561829882 /nfs/dbraw/zinc/82/98/82/561829882.db2.gz NSEGOJXLVQTIAC-QGBLWHLESA-N 0 1 614.808 6.712 1 0 KKAFMN CC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027189716 561843268 /nfs/dbraw/zinc/84/32/68/561843268.db2.gz WWFGVTCZQZISDD-UHFFFAOYSA-N 0 1 636.724 6.798 1 0 KKAFMN CN(Cc1c(-c2ccc(NC(=O)C(F)(F)F)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027191162 561843507 /nfs/dbraw/zinc/84/35/07/561843507.db2.gz MPGYHGSWNRWLLD-UHFFFAOYSA-N 0 1 690.694 7.340 1 0 KKAFMN CCC(CC)[C@@H](NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027193332 561843840 /nfs/dbraw/zinc/84/38/40/561843840.db2.gz BSUWUKYJNUNGOM-BZVJAFHMSA-N 0 1 558.675 5.559 1 0 KKAFMN CCC(CC)[C@H](NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027193337 561843867 /nfs/dbraw/zinc/84/38/67/561843867.db2.gz BSUWUKYJNUNGOM-XFDURZHPSA-N 0 1 558.675 5.559 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 ZINC000027199152 561844837 /nfs/dbraw/zinc/84/48/37/561844837.db2.gz WYLRXEBBERTKHN-OJSALCDSSA-N 0 1 578.665 5.479 1 0 KKAFMN CCCC[C@H](NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000027205029 561845835 /nfs/dbraw/zinc/84/58/35/561845835.db2.gz FZJJZYJWWWMPOB-KPLXGGORSA-N 0 1 544.648 5.313 1 0 KKAFMN COc1cc2c(cc1OCCCN1CCC(F)(F)CC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027211630 561847308 /nfs/dbraw/zinc/84/73/08/561847308.db2.gz CQEMIFOSYJYIJV-UHFFFAOYSA-N 0 1 598.695 5.280 1 0 KKAFMN CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)CCc2ccccn2)c(=O)c(C(=O)NC2CCCC2)cn3Cc2ccccc2F)cc1 ZINC000027325590 561853421 /nfs/dbraw/zinc/85/34/21/561853421.db2.gz DCLRIOIGKNCEAU-UHFFFAOYSA-N 0 1 662.810 6.436 1 0 KKAFMN S=C(NCCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1cnc[nH]1 ZINC000027524447 561865711 /nfs/dbraw/zinc/86/57/11/561865711.db2.gz YZOMBPDHOVUNRI-UHFFFAOYSA-N 0 1 584.415 6.148 1 0 KKAFMN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)N)c2)C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1 ZINC000027633612 561874071 /nfs/dbraw/zinc/87/40/71/561874071.db2.gz UMLDLWMDFVEGKD-BFGHFXMOSA-N 0 1 675.940 5.417 1 0 KKAFMN COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2Nc2ccccc2)CC1 ZINC000027647508 561876121 /nfs/dbraw/zinc/87/61/21/561876121.db2.gz OHTPJAXSYGJOBQ-UHFFFAOYSA-N 0 1 535.739 5.263 1 0 KKAFMN O=C(c1cccc2ccccc21)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000028003496 561895025 /nfs/dbraw/zinc/89/50/25/561895025.db2.gz ZQKNWAOHEDTKOE-UHFFFAOYSA-N 0 1 598.721 5.549 1 0 KKAFMN CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017564 561897758 /nfs/dbraw/zinc/89/77/58/561897758.db2.gz BQQDYTWNFPNXMT-IDLKRKCPSA-N 0 1 616.822 6.568 1 0 KKAFMN CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017564 561897760 /nfs/dbraw/zinc/89/77/60/561897760.db2.gz BQQDYTWNFPNXMT-IDLKRKCPSA-N 0 1 616.822 6.568 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028015385 561897189 /nfs/dbraw/zinc/89/71/89/561897189.db2.gz VWVXJUWUORALDD-KJCODNFBSA-N 0 1 604.811 6.426 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028015385 561897190 /nfs/dbraw/zinc/89/71/90/561897190.db2.gz VWVXJUWUORALDD-KJCODNFBSA-N 0 1 604.811 6.426 1 0 KKAFMN CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016384 561897433 /nfs/dbraw/zinc/89/74/33/561897433.db2.gz WUOVQUPKHAFCDO-QOCRQHEPSA-N 0 1 590.784 6.036 1 0 KKAFMN CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016384 561897435 /nfs/dbraw/zinc/89/74/35/561897435.db2.gz WUOVQUPKHAFCDO-QOCRQHEPSA-N 0 1 590.784 6.036 1 0 KKAFMN CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028020493 561898364 /nfs/dbraw/zinc/89/83/64/561898364.db2.gz VZEOWSJFLSQSHL-MKJJNCKNSA-N 0 1 652.855 7.820 1 0 KKAFMN CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028020493 561898366 /nfs/dbraw/zinc/89/83/66/561898366.db2.gz VZEOWSJFLSQSHL-MKJJNCKNSA-N 0 1 652.855 7.820 1 0 KKAFMN CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093863 561900377 /nfs/dbraw/zinc/90/03/77/561900377.db2.gz VPOHYCVKCIUOIJ-LOZBNSEJSA-N 0 1 616.822 6.570 1 0 KKAFMN CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093863 561900378 /nfs/dbraw/zinc/90/03/78/561900378.db2.gz VPOHYCVKCIUOIJ-LOZBNSEJSA-N 0 1 616.822 6.570 1 0 KKAFMN O=C1NC(=O)C(c2nn(CCCN3CCOCC3)c3ccccc32)=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12 ZINC000028112140 561903207 /nfs/dbraw/zinc/90/32/07/561903207.db2.gz KOVNFJBXMBASSU-UHFFFAOYSA-N 0 1 581.676 5.423 1 0 KKAFMN O=C(c1ccccc1)c1ccc2c(c1[O-])N[C@@H](c1ccccc1)[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)O2 ZINC000028113328 561903378 /nfs/dbraw/zinc/90/33/78/561903378.db2.gz IMGVLHPPOZVQNA-MFACQUFMSA-N 0 1 526.636 6.917 1 0 KKAFMN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CCN(CCOc3ccc(Cl)cc3)C2)C1 ZINC000028128338 561905267 /nfs/dbraw/zinc/90/52/67/561905267.db2.gz NEDFFGGGMNIQHU-URLMMPGGSA-N 0 1 629.123 6.377 1 0 KKAFMN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCOc3ccc(Cl)cc3)C2)C1 ZINC000028128331 561905324 /nfs/dbraw/zinc/90/53/24/561905324.db2.gz NEDFFGGGMNIQHU-FQLXRVMXSA-N 0 1 629.123 6.377 1 0 KKAFMN COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028247936 561910880 /nfs/dbraw/zinc/91/08/80/561910880.db2.gz SJZZEOSZOLFBGC-UHFFFAOYSA-N 0 1 623.725 6.907 1 0 KKAFMN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(CC[C@H](C(=O)[O-])c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236155 561909704 /nfs/dbraw/zinc/90/97/04/561909704.db2.gz ADFRLQLNMJKEBV-CNTBMXMRSA-N 0 1 554.678 5.594 1 0 KKAFMN O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cnccc1Oc1ccccc1 ZINC000028523705 561930385 /nfs/dbraw/zinc/93/03/85/561930385.db2.gz NDYNXABLRPQINW-ILBGXUMGSA-N 0 1 508.416 5.890 1 0 KKAFMN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000028527301 561932377 /nfs/dbraw/zinc/93/23/77/561932377.db2.gz RMBIIDOEEPBEST-BHVANESWSA-N 0 1 673.901 5.969 1 0 KKAFMN CC(C)(C)c1nc(N2CCN(CCCCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1 ZINC000028568228 561937256 /nfs/dbraw/zinc/93/72/56/561937256.db2.gz JTXRDCDRBGVWLB-UHFFFAOYSA-N 0 1 503.613 5.065 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000028604114 561940613 /nfs/dbraw/zinc/94/06/13/561940613.db2.gz URKBYKGEBFYONH-CSKARUKUSA-N 0 1 523.892 5.796 1 0 KKAFMN COc1ccc(-c2cc(O)c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc-3o2)cc1OC1CCCC1 ZINC000028703051 561947636 /nfs/dbraw/zinc/94/76/36/561947636.db2.gz XVDGPLRZUAGLAN-UHFFFAOYSA-N 0 1 674.747 5.245 1 0 KKAFMN COc1ccc(-c2cc(=O)c3c(O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3o2)cc1OC1CCCC1 ZINC000028703051 561947640 /nfs/dbraw/zinc/94/76/40/561947640.db2.gz XVDGPLRZUAGLAN-UHFFFAOYSA-N 0 1 674.747 5.245 1 0 KKAFMN C[C@@H]1CN(CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816515 561964216 /nfs/dbraw/zinc/96/42/16/561964216.db2.gz SECUIVXEQRIXKP-WMBPSLEXSA-N 0 1 564.123 5.316 1 0 KKAFMN Fc1ccc(Br)cc1-c1nc2nccnc2c(N(CCc2ccccc2)c2ccncc2)n1 ZINC000028822263 561966891 /nfs/dbraw/zinc/96/68/91/561966891.db2.gz PJEHSWNIQSJKGP-UHFFFAOYSA-N 0 1 501.363 5.764 1 0 KKAFMN C[C@H]1CN(CC2CC2)CCN1C(=O)OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879404 561976306 /nfs/dbraw/zinc/97/63/06/561976306.db2.gz ZIDJCKAKCGREPA-XNZIZSAOSA-N 0 1 608.151 5.988 1 0 KKAFMN O[C@H]1/C(=C/c2cn(Cc3ccccc3Br)c3ccc(Br)cc23)N2CCC1CC2 ZINC000028826467 561971356 /nfs/dbraw/zinc/97/13/56/561971356.db2.gz JUQWNHFUTIWARD-SOMWRMJPSA-N 0 1 502.250 5.642 1 0 KKAFMN COc1ccccc1[C@@H](c1ccccc1)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000028869857 561973807 /nfs/dbraw/zinc/97/38/07/561973807.db2.gz GUWMGLWQORYQFJ-SSEXGKCCSA-N 0 1 513.707 5.827 1 0 KKAFMN COc1ccccc1C(c1ccccc1OC)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000028869865 561973827 /nfs/dbraw/zinc/97/38/27/561973827.db2.gz HEJWFNURPGCDGT-UHFFFAOYSA-N 0 1 537.704 5.774 1 0 KKAFMN CCC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874672 561975206 /nfs/dbraw/zinc/97/52/06/561975206.db2.gz RYICDTOOZAJHGG-MUUNZHRXSA-N 0 1 507.675 5.230 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000028949150 561980413 /nfs/dbraw/zinc/98/04/13/561980413.db2.gz KKTNEVSIJGCPKF-UHFFFAOYSA-N 0 1 562.666 6.937 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2cccc(Oc3ccccc3)c2)c1 ZINC000028949110 561980461 /nfs/dbraw/zinc/98/04/61/561980461.db2.gz HBRAVDOKKHPFKW-UHFFFAOYSA-N 0 1 548.639 7.151 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028949149 561980479 /nfs/dbraw/zinc/98/04/79/561980479.db2.gz HJUKWDHJEFRHJW-UHFFFAOYSA-N 0 1 548.639 7.151 1 0 KKAFMN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2cc(-c3nc(=O)o[n-]3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000028949702 561980775 /nfs/dbraw/zinc/98/07/75/561980775.db2.gz HNRSWIBLSLTBRF-JOCHJYFZSA-N 0 1 541.696 5.500 1 0 KKAFMN NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@@H]4CCCCN4Cc4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000028960885 561984077 /nfs/dbraw/zinc/98/40/77/561984077.db2.gz XOWKMVCDZXOXHR-NRFANRHFSA-N 0 1 523.464 6.459 1 0 KKAFMN Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCN2CCN(CC(=O)N(C)C)CC2)c1 ZINC000028961473 561984221 /nfs/dbraw/zinc/98/42/21/561984221.db2.gz VPZCRWKFXSQLLK-UHFFFAOYSA-N 0 1 589.850 5.193 1 0 KKAFMN NC(=O)c1cccc(Nc2nccc(-c3nc(C4CC4)[nH]c3-c3cccc(NS(=O)(=O)Cc4ccc(Cl)c(Cl)c4)c3)n2)c1 ZINC000029042494 561991559 /nfs/dbraw/zinc/99/15/59/561991559.db2.gz OCBCSZRKQIGAFJ-UHFFFAOYSA-N 0 1 634.549 6.502 1 0 KKAFMN Cn1nc(N)c2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)nc21 ZINC000029126917 561999272 /nfs/dbraw/zinc/99/92/72/561999272.db2.gz CFZCFLONWSUZFP-UHFFFAOYSA-N 0 1 529.648 5.365 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(C(F)(F)F)oc5cc4CC3)n2C)n1 ZINC000029127173 561999556 /nfs/dbraw/zinc/99/95/56/561999556.db2.gz WHKXNUMKCCTWNI-UHFFFAOYSA-N 0 1 552.626 6.082 1 0 KKAFMN [NH3+]CCc1c2ccc(Br)cc2[nH]c1[C@H](c1c[nH]c2ccccc21)c1[nH]c2cc(Br)ccc2c1CC[N-]C(=O)C(F)(F)F ZINC000029127845 562000332 /nfs/dbraw/zinc/00/03/32/562000332.db2.gz YZRDPNPPJTVMET-MHZLTWQESA-N 0 1 701.385 7.558 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 ZINC000029225566 562008131 /nfs/dbraw/zinc/00/81/31/562008131.db2.gz JFXHDYCZEZLQSE-NDEPHWFRSA-N 0 1 639.698 5.209 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 ZINC000029218550 562006856 /nfs/dbraw/zinc/00/68/56/562006856.db2.gz SLIMEVKNMJKEMU-XIFFEERXSA-N 0 1 632.746 5.451 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 ZINC000029222974 562007515 /nfs/dbraw/zinc/00/75/15/562007515.db2.gz LJZAWANAPKNWFU-PMERELPUSA-N 0 1 589.762 5.701 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 ZINC000029325883 562013364 /nfs/dbraw/zinc/01/33/64/562013364.db2.gz JTYWSBQBWKKARJ-LJAQVGFWSA-N 0 1 590.652 5.272 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000029326529 562013534 /nfs/dbraw/zinc/01/35/34/562013534.db2.gz XLXGQVQLOQQNPQ-LJAQVGFWSA-N 0 1 608.642 6.089 1 0 KKAFMN CS(=O)(=O)[N-]c1ccc2[nH+]c(-c3ccccc3)cc(Nc3ccc(OCC4CCCCC4)cc3)c2c1 ZINC000029328737 562013598 /nfs/dbraw/zinc/01/35/98/562013598.db2.gz WYYAPKALXVYVFC-UHFFFAOYSA-N 0 1 501.652 6.976 1 0 KKAFMN COc1ccccc1N1CC[NH+](CCCCOc2cc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)ccc2OCc2ccc(C)cc2)CC1 ZINC000029330110 562013756 /nfs/dbraw/zinc/01/37/56/562013756.db2.gz JJRGSYIIOKDBJX-UHFFFAOYSA-N 0 1 689.853 7.614 1 0 KKAFMN CCOC(=O)C1=C(COCCN2CCN(c3ccc(F)cc3)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029462970 562023425 /nfs/dbraw/zinc/02/34/25/562023425.db2.gz QIUWNYZCCWKEAE-TVLNSTGRSA-N 0 1 572.077 5.109 1 0 KKAFMN COc1ccc(-c2nc(SCCCCCN(CCc3nn[nH]n3)C(=O)NC(C)C)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000029465497 562024276 /nfs/dbraw/zinc/02/42/76/562024276.db2.gz XUUTYZYXTFWOAX-UHFFFAOYSA-N 0 1 578.743 5.199 1 0 KKAFMN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)[C@@H](/C=C/[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029466637 562024477 /nfs/dbraw/zinc/02/44/77/562024477.db2.gz MRONPHMQIPIYRP-VYZBCKGMSA-N 0 1 724.002 5.103 1 0 KKAFMN Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029560326 562032960 /nfs/dbraw/zinc/03/29/60/562032960.db2.gz FKTJGLWQLNELFW-ZTTWIXQWSA-N 0 1 522.667 5.439 1 0 KKAFMN Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029560326 562032962 /nfs/dbraw/zinc/03/29/62/562032962.db2.gz FKTJGLWQLNELFW-ZTTWIXQWSA-N 0 1 522.667 5.439 1 0 KKAFMN COc1ccccc1N1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)CC1 ZINC000029487763 562028737 /nfs/dbraw/zinc/02/87/37/562028737.db2.gz YOMYRRDBIFKPJV-VWLOTQADSA-N 0 1 528.480 5.026 1 0 KKAFMN Cc1ccccc1N1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)CC1 ZINC000029489331 562029051 /nfs/dbraw/zinc/02/90/51/562029051.db2.gz DUTQVRPRTFGQLG-SANMLTNESA-N 0 1 512.481 5.326 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)N(C(=O)C[C@@H](O)C(=O)[O-])C3=O)cc1)C(C)(C)O2 ZINC000029564067 562034010 /nfs/dbraw/zinc/03/40/10/562034010.db2.gz CZUZIIWEVGGHME-JWBWZKDWSA-N 0 1 730.880 5.958 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 ZINC000029568405 562034897 /nfs/dbraw/zinc/03/48/97/562034897.db2.gz KNIUEVGRHZOFBO-HKBQPEDESA-N 0 1 584.767 5.657 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000029570036 562035434 /nfs/dbraw/zinc/03/54/34/562035434.db2.gz PVFRBOLJUSQATI-LJAQVGFWSA-N 0 1 596.734 6.285 1 0 KKAFMN CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503568 562037408 /nfs/dbraw/zinc/03/74/08/562037408.db2.gz SGVAGNDDAYRYKV-PVTPYKNESA-N 0 1 517.739 5.738 1 0 KKAFMN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503568 562037409 /nfs/dbraw/zinc/03/74/09/562037409.db2.gz SGVAGNDDAYRYKV-PVTPYKNESA-N 0 1 517.739 5.738 1 0 KKAFMN Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4nc(-c5ccccc5)c[nH]4)c3)ccc21 ZINC000034983914 562044150 /nfs/dbraw/zinc/04/41/50/562044150.db2.gz PYBNNACSMHESLC-UHFFFAOYSA-N 0 1 514.633 7.859 1 0 KKAFMN COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c(o2)c2ccc3CCc3ccc(cc3)CC2)CC1 ZINC000036215323 562051153 /nfs/dbraw/zinc/05/11/53/562051153.db2.gz FNHANZYICZUWQM-UHFFFAOYSA-N 0 1 537.704 5.657 1 0 KKAFMN CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc2c(ncn2Cc2c(F)cccc2F)c(Br)c1 ZINC000036330277 562055476 /nfs/dbraw/zinc/05/54/76/562055476.db2.gz PUAJXXAGCRBPIT-UHFFFAOYSA-N 0 1 557.467 5.026 1 0 KKAFMN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CCN(CCOc3ccc(Cl)cc3)C2)C1 ZINC000036351483 562058382 /nfs/dbraw/zinc/05/83/82/562058382.db2.gz NEDFFGGGMNIQHU-VMPREFPWSA-N 0 1 629.123 6.377 1 0 KKAFMN CC[C@H]1CN(c2ncc(-c3nnco3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000036488115 562060976 /nfs/dbraw/zinc/06/09/76/562060976.db2.gz IRFWKBVXRGRZHN-FQEVSTJZSA-N 0 1 519.452 5.143 1 0 KKAFMN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000036758576 562061503 /nfs/dbraw/zinc/06/15/03/562061503.db2.gz QRDWGUVCGQETNO-UHFFFAOYSA-N 0 1 672.783 5.835 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(-c5cccs5)c4)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000038146655 562065304 /nfs/dbraw/zinc/06/53/04/562065304.db2.gz CPTHLCALGNOEEX-UHFFFAOYSA-N 0 1 623.701 6.480 3 0 KKAFMN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(CN3CCN(c4ccccc4)CC3)cc2c1 ZINC000038149685 562066203 /nfs/dbraw/zinc/06/62/03/562066203.db2.gz QOIDPHCDTNXCDA-UHFFFAOYSA-N 0 1 569.155 7.305 1 0 KKAFMN FC(F)(F)c1cc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c(C=Cc2ccccc2)c1 ZINC000038157635 562069225 /nfs/dbraw/zinc/06/92/25/562069225.db2.gz MMFYDYCMTYSGLC-CMDGGOBGSA-N 0 1 517.477 6.493 1 0 KKAFMN Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000039167537 562072740 /nfs/dbraw/zinc/07/27/40/562072740.db2.gz MDPULBLYZQWTKD-MDNUFGMLSA-N 0 1 524.683 5.010 1 0 KKAFMN CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040430260 562076721 /nfs/dbraw/zinc/07/67/21/562076721.db2.gz UGEKBRAUIATXBS-PMERELPUSA-N 0 1 507.625 5.285 1 0 KKAFMN COc1ccc(C(O)(c2ccc(OC)cc2)C2CCN(CCCOc3ccc(C(C)=O)cc3OC)CC2)cc1 ZINC000040503951 562077610 /nfs/dbraw/zinc/07/76/10/562077610.db2.gz RTANZDADMKOZHT-UHFFFAOYSA-N 0 1 533.665 5.332 1 0 KKAFMN COc1cc2c(cc1OC)[C@H](c1ccccc1NCCOc1ccccc1)N(CCOc1ccccc1)CC2 ZINC000040894605 562083026 /nfs/dbraw/zinc/08/30/26/562083026.db2.gz YVKMEOMVEXNHNK-XIFFEERXSA-N 0 1 524.661 6.221 1 0 KKAFMN O=C([O-])CCC[N@H+]1CC[C@@H]2c3ccccc3N(Cc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)[C@H]2C1 ZINC000043023423 562645025 /nfs/dbraw/zinc/64/50/25/562645025.db2.gz UPIUQXNSJMLQJB-XORFARQCSA-N 0 1 538.091 7.102 1 0 KKAFMN COc1ccc([C@](OCC[N@H+]2CCC[C@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000043273856 562647301 /nfs/dbraw/zinc/64/73/01/562647301.db2.gz JLPFRSGXRAQFON-MMTVBGGISA-N 0 1 581.553 6.838 1 0 KKAFMN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@@](O)(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000043409130 562648220 /nfs/dbraw/zinc/64/82/20/562648220.db2.gz PTEAYHWSRKORAG-PMERELPUSA-N 0 1 541.610 6.334 1 0 KKAFMN CN(C)c1cccc2c1cccc2S(=O)(=O)N(CCN(Cc1cnc[nH]1)c1ccccc1)Cc1ccccc1 ZINC000043532653 562649378 /nfs/dbraw/zinc/64/93/78/562649378.db2.gz KUOAAZHMKTZVEK-UHFFFAOYSA-N 0 1 539.705 5.527 1 0 KKAFMN C[C@@H]1CN(C(=O)OC2([C@@H]3CCC[C@H](c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C[C@H](C)N1 ZINC000043589941 562650102 /nfs/dbraw/zinc/65/01/02/562650102.db2.gz UTHMUINLECVICV-VCWUMBODSA-N 0 1 550.096 5.115 1 0 KKAFMN CCc1ccc(-c2nc3c(cccc3N3CCN(CCOc4cccc5[nH]c(C(F)(F)F)nc54)CC3)[nH]2)cc1 ZINC000044307743 562654091 /nfs/dbraw/zinc/65/40/91/562654091.db2.gz QHVQCMAHEGNPBI-UHFFFAOYSA-N 0 1 534.586 5.888 1 0 KKAFMN CS(=O)(=O)CCNCc1cc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)cs1 ZINC000044419309 562657445 /nfs/dbraw/zinc/65/74/45/562657445.db2.gz RAKHTNLGXMUAQG-UHFFFAOYSA-N 0 1 603.166 6.669 1 0 KKAFMN CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)c1 ZINC000045167030 562657970 /nfs/dbraw/zinc/65/79/70/562657970.db2.gz HQLXLXWFEKXSRY-UHFFFAOYSA-N 0 1 514.507 7.126 1 0 KKAFMN Cc1nc(C)c(CC(=O)Nc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)s1 ZINC000045187062 562658291 /nfs/dbraw/zinc/65/82/91/562658291.db2.gz MEVGAAGCHHLLFS-UHFFFAOYSA-N 0 1 512.582 7.232 1 0 KKAFMN CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccnc(N)n2)[nH]1 ZINC000045188710 562658313 /nfs/dbraw/zinc/65/83/13/562658313.db2.gz RFYJBIAMIACESA-UHFFFAOYSA-N 0 1 517.848 5.849 1 0 KKAFMN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6cnccn6)CC5)cc4)cc3)nc2c1 ZINC000045194142 562658747 /nfs/dbraw/zinc/65/87/47/562658747.db2.gz PULJRYWDZXWXFU-UHFFFAOYSA-N 0 1 514.555 6.028 1 0 KKAFMN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Nc3ccnc4ccc(N)cc43)cc2)c1 ZINC000045260236 562660067 /nfs/dbraw/zinc/66/00/67/562660067.db2.gz MKHUGLZLKVCOGF-UHFFFAOYSA-N 0 1 505.626 6.996 1 0 in-vitro KKAFMN Cc1[nH]c2cc(Cl)ccc2c1C1=CCN(CCN2CCOc3c(Br)cccc3C2=O)CC1 ZINC000045335034 562661318 /nfs/dbraw/zinc/66/13/18/562661318.db2.gz ZOMSOXGKTBRFBH-UHFFFAOYSA-N 0 1 514.851 5.516 1 0 KKAFMN C[C@@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045338441 562661475 /nfs/dbraw/zinc/66/14/75/562661475.db2.gz FZYZAZVPXUZVPL-BYCVKDJDSA-N 0 1 530.112 5.657 1 0 KKAFMN Cc1cc[nH+]c(NCc2ccc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)cc2)c1 ZINC000045385612 562662349 /nfs/dbraw/zinc/66/23/49/562662349.db2.gz PGMTXWDCGBRTJD-NDEPHWFRSA-N 0 1 507.634 6.020 1 0 KKAFMN Cc1cc[nH+]c(NCc2ccc(-c3ccc(C[C@@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)cc2)c1 ZINC000045385616 562662400 /nfs/dbraw/zinc/66/24/00/562662400.db2.gz PGMTXWDCGBRTJD-MUUNZHRXSA-N 0 1 507.634 6.020 1 0 KKAFMN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)CN1c2ccccc2S(=O)(=O)N=C1CCc1cccc(F)c1F ZINC000048307367 562663020 /nfs/dbraw/zinc/66/30/20/562663020.db2.gz CCPGRQGQBNQBCG-UHFFFAOYSA-N 0 1 712.785 7.561 1 0 KKAFMN C[C@@H](Oc1cc(-n2cnc3cc(SCCN4CCN(C)CC4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000048307408 562663106 /nfs/dbraw/zinc/66/31/06/562663106.db2.gz AEJUGCKSWCWINC-GOSISDBHSA-N 0 1 556.157 5.319 1 0 KKAFMN Cn1c2ccc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)cc2nc1NCc1cc(F)cc2c1OCOC2 ZINC000048308727 562663136 /nfs/dbraw/zinc/66/31/36/562663136.db2.gz RTWXCRSCPQVJST-UHFFFAOYSA-N 0 1 589.653 5.013 1 0 KKAFMN O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049049845 562663756 /nfs/dbraw/zinc/66/37/56/562663756.db2.gz IHOVJSHWHKBKCL-SETSBSEESA-N 0 1 521.488 6.436 1 0 KKAFMN O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049054475 562663865 /nfs/dbraw/zinc/66/38/65/562663865.db2.gz VKEKQOWZBFVSMP-OFSOJUDTSA-N 0 1 520.595 6.148 1 0 KKAFMN Cc1ccccc1N1CCN(Cc2ccc3oc(=O)cc(N4CCN(c5ccccc5C)CC4)c3c2)CC1 ZINC000049573651 562664870 /nfs/dbraw/zinc/66/48/70/562664870.db2.gz VVCQZNQSNQDNJA-UHFFFAOYSA-N 0 1 508.666 5.059 1 0 KKAFMN Cn1c2ccccc2c2c1CCN(CC[C@@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3ccccc3)CCO1)C2 ZINC000049605011 562665247 /nfs/dbraw/zinc/66/52/47/562665247.db2.gz RJLGXVRLVXGYAW-YTTGMZPUSA-N 0 1 562.541 6.230 1 0 KKAFMN COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000049605182 562665460 /nfs/dbraw/zinc/66/54/60/562665460.db2.gz XCSGMHOGUNQPBU-UHFFFAOYSA-N 0 1 570.612 5.178 1 0 KKAFMN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc5ccccc5cc4[nH]3)c(F)c2)CC1 ZINC000049605470 562665886 /nfs/dbraw/zinc/66/58/86/562665886.db2.gz RFRSACOMWSZCDH-UHFFFAOYSA-N 0 1 572.084 6.126 1 0 KKAFMN CC(C)(CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049605594 562666078 /nfs/dbraw/zinc/66/60/78/562666078.db2.gz NIRYDTKBBUYYQK-HSZRJFAPSA-N 0 1 608.570 6.336 1 0 KKAFMN CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049605594 562666079 /nfs/dbraw/zinc/66/60/79/562666079.db2.gz NIRYDTKBBUYYQK-HSZRJFAPSA-N 0 1 608.570 6.336 1 0 KKAFMN O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(CCN1CCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049605703 562666238 /nfs/dbraw/zinc/66/62/38/562666238.db2.gz YIZQJKWCCUFCGE-UHFFFAOYSA-N 0 1 674.714 7.270 1 0 KKAFMN CCOC(=O)c1ccc(N2CCN(CCCNC(=O)/C(=C/C=C/c3cc4cc(Cl)c(Cl)cc4[nH]3)OC)CC2)cc1 ZINC000049605818 562666361 /nfs/dbraw/zinc/66/63/61/562666361.db2.gz AOGTVONPIXRSQH-UWHRFUOESA-N 0 1 585.532 5.523 1 0 KKAFMN C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)[C@]1(C)C5=CCC(C(=O)OC)=C1C(=O)OC)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C ZINC000049605953 562666468 /nfs/dbraw/zinc/66/64/68/562666468.db2.gz WEAHWYOTPJBDKA-WBCKFURZSA-N 0 1 732.834 6.759 1 0 KKAFMN O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2c(c(-c3ccc(F)cc3)c1)CCN(CC1CC1)CC2 ZINC000049626537 562667206 /nfs/dbraw/zinc/66/72/06/562667206.db2.gz AVWRJIXOQSKYLG-UHFFFAOYSA-N 0 1 576.133 7.369 1 0 KKAFMN COc1cc(C(=O)N2CCO[C@@](CCN3CCc4c(c5ccccc5n4C)C3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049626820 562667431 /nfs/dbraw/zinc/66/74/31/562667431.db2.gz VKBOHUOLSFEMDO-UUWRZZSWSA-N 0 1 638.592 6.327 1 0 KKAFMN COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679563 562668934 /nfs/dbraw/zinc/66/89/34/562668934.db2.gz JOTYMLKDQAFRFK-VAVYLYDRSA-N 0 1 688.872 5.745 1 0 KKAFMN COc1cc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(OC)c1OC ZINC000049709667 562671439 /nfs/dbraw/zinc/67/14/39/562671439.db2.gz LKTVUCUKEOYSRD-MUUNZHRXSA-N 0 1 563.657 5.360 1 0 KKAFMN CCC(CC)(C(=O)[O-])c1cccc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000049723273 562673127 /nfs/dbraw/zinc/67/31/27/562673127.db2.gz TYOGYVGOHLVBEF-UHFFFAOYSA-N 0 1 638.170 9.604 1 0 KKAFMN Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2ccc(F)c(C)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049745959 562674145 /nfs/dbraw/zinc/67/41/45/562674145.db2.gz NLSAILJNHVUDOU-UHFFFAOYSA-N 0 1 550.516 6.094 1 0 KKAFMN CC(=O)c1cccc(NC(=O)N2CCCN(CCCCCNC(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000049746839 562674616 /nfs/dbraw/zinc/67/46/16/562674616.db2.gz MZUAXMSVXLUTKU-ZRDIBKRKSA-N 0 1 545.511 5.736 1 0 KKAFMN CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCCCC2)nn1 ZINC000049756610 562675103 /nfs/dbraw/zinc/67/51/03/562675103.db2.gz ICQNEYDWZJCYMM-SYBRLPANSA-N 0 1 611.684 7.347 1 0 KKAFMN CC(C)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c([C@@H](O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049778146 562680978 /nfs/dbraw/zinc/68/09/78/562680978.db2.gz ZPOHWIIFZLLEPQ-XIFFEERXSA-N 0 1 643.800 7.972 1 0 KKAFMN O[C@@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049780195 562681464 /nfs/dbraw/zinc/68/14/64/562681464.db2.gz ZUFUIYOZVFSEPX-PZSMLTKBSA-N 0 1 542.723 6.714 1 0 KKAFMN COc1cc2c(cc1OCCCCCCN1CCN(C(=O)c3ccccc3NCc3cc(OC)c(OC)c(OC)c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049780282 562681594 /nfs/dbraw/zinc/68/15/94/562681594.db2.gz BUYHLDWXPSOEMW-LJAQVGFWSA-N 0 1 713.876 6.051 1 0 KKAFMN CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccccc32)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049783648 562683138 /nfs/dbraw/zinc/68/31/38/562683138.db2.gz IOMZWVIZNJRHRI-RUZDIDTESA-N 0 1 577.899 8.284 1 0 KKAFMN CN1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NC(=O)Nc5ccccc5Cl)cc3)c4N)c2)CC1 ZINC000049793642 562685071 /nfs/dbraw/zinc/68/50/71/562685071.db2.gz FRBJLBMEOUWTOH-UHFFFAOYSA-N 0 1 553.070 5.695 1 0 KKAFMN O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CCCN3CCOCC3)c1cc2-c1c(Cl)cccc1Cl ZINC000049872520 562690103 /nfs/dbraw/zinc/69/01/03/562690103.db2.gz VCILCSWAAWCHHY-UHFFFAOYSA-N 0 1 524.404 5.080 1 0 KKAFMN O=C(C=Cc1ccc(Sc2cccc(OCc3cnc[nH]3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 ZINC000049881761 562691086 /nfs/dbraw/zinc/69/10/86/562691086.db2.gz XHNFQBYXWHWBKQ-FNORWQNLSA-N 0 1 557.516 6.050 1 0 KKAFMN CCN1CC[C@@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049908035 562693412 /nfs/dbraw/zinc/69/34/12/562693412.db2.gz BETUISKNIITDDN-JGCGQSQUSA-N 0 1 673.726 7.874 1 0 KKAFMN CS(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000049917586 562693602 /nfs/dbraw/zinc/69/36/02/562693602.db2.gz ITUBTCQSZUSJLK-UHFFFAOYSA-N 0 1 549.574 6.249 1 0 KKAFMN O=C(Nc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 ZINC000049917599 562693635 /nfs/dbraw/zinc/69/36/35/562693635.db2.gz JONSCBPGWJVBSH-GOJCVTOHSA-N 0 1 670.766 6.108 1 0 KKAFMN O=C(CNC(=O)c1ccc(O)cc1)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000049917786 562693920 /nfs/dbraw/zinc/69/39/20/562693920.db2.gz DVTWENZRONOMLW-UHFFFAOYSA-N 0 1 530.506 5.990 1 0 KKAFMN O=C(NCCN1CCC(c2ccncc2)CC1)c1ccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000049917946 562694186 /nfs/dbraw/zinc/69/41/86/562694186.db2.gz DNFFEPBRCVRCNW-UHFFFAOYSA-N 0 1 585.712 6.761 1 0 KKAFMN Cc1noc(-c2ccccc2)c1NC(=O)N1CCN(CCCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918150 562694496 /nfs/dbraw/zinc/69/44/96/562694496.db2.gz LECRWSOBKXDJBO-WYMLVPIESA-N 0 1 584.548 6.496 1 0 KKAFMN CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccc(Cl)c(Cl)c3)NCc3ccccc3)CC2)c2ccccc21 ZINC000053294364 562697295 /nfs/dbraw/zinc/69/72/95/562697295.db2.gz MERHBTZUAONODB-MHZLTWQESA-N 0 1 602.584 5.008 1 0 KKAFMN CN1CCN(c2ccc(Nc3nccc(-c4c5ccccn5nc4-c4cccc(NC(=O)c5c(F)cccc5F)c4)n3)cc2)CC1 ZINC000055779993 562697798 /nfs/dbraw/zinc/69/77/98/562697798.db2.gz BDJMJVCQVXQIKX-UHFFFAOYSA-N 0 1 616.676 6.484 1 0 KKAFMN CCCn1c(C)c(C(=O)NCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1-c1ccccc1 ZINC000058540822 562698940 /nfs/dbraw/zinc/69/89/40/562698940.db2.gz ASMLMEYIAIQETR-UHFFFAOYSA-N 0 1 513.513 6.122 1 0 KKAFMN CC(=O)Nc1cccc(N2CCN(CCCNc3nc4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058583337 562700095 /nfs/dbraw/zinc/70/00/95/562700095.db2.gz PBVBPXGSZSMYCO-UHFFFAOYSA-N 0 1 503.050 5.262 1 0 KKAFMN CC(C)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)[O-])c1 ZINC000059275475 562701936 /nfs/dbraw/zinc/70/19/36/562701936.db2.gz DHZIUNHILGOFCC-SSEXGKCCSA-N 0 1 593.652 9.654 1 0 KKAFMN Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(CN5CCN(C)CC5)cc(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000064437127 562705251 /nfs/dbraw/zinc/70/52/51/562705251.db2.gz ATQDMZRXTGWPPT-UHFFFAOYSA-N 0 1 574.007 5.824 1 0 KKAFMN Cc1cc2ncn(CCN(CCn3cnc4cc(C)c(C)cc43)Cc3ccc(Cl)cc3Cl)c2cc1C ZINC000064527661 562707063 /nfs/dbraw/zinc/70/70/63/562707063.db2.gz DVIJIHGAZPRIGU-UHFFFAOYSA-N 0 1 520.508 7.129 1 0 KKAFMN S=C(NCCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1)NCCCc1cnc[nH]1 ZINC000064617893 562708840 /nfs/dbraw/zinc/70/88/40/562708840.db2.gz ISTWZTLJICEOOO-UHFFFAOYSA-N 0 1 535.943 5.104 3 0 KKAFMN O=C1N(c2ccc(F)c(Cl)c2)[C@@H](c2ccccn2)C12CCN(c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)CC2 ZINC000064637958 562708957 /nfs/dbraw/zinc/70/89/57/562708957.db2.gz XVGFCIHXNZUCGJ-QFIPXVFZSA-N 0 1 547.915 6.283 1 0 KKAFMN S=C(NCCCc1cnc[nH]1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cn1 ZINC000064721583 562709073 /nfs/dbraw/zinc/70/90/73/562709073.db2.gz DZKDBABQUWHXSI-UHFFFAOYSA-N 0 1 519.118 5.619 1 0 KKAFMN CC(c1ccccc1)(c1ccc(NC(=O)CN2CCCC2)cc1)c1ccc(NC(=O)CN2CCCC2)cc1 ZINC000066098776 562711026 /nfs/dbraw/zinc/71/10/26/562711026.db2.gz QRFFLZSRZNHZDM-UHFFFAOYSA-N 0 1 510.682 5.110 1 0 KKAFMN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)N2CCCC2)cc1 ZINC000066099419 562711101 /nfs/dbraw/zinc/71/11/01/562711101.db2.gz NJEMEONEYOQVJD-JGMOMGQESA-N 0 1 508.544 5.715 1 0 KKAFMN COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCc4ccoc4)cc3)n2)C2CCCC2)cc1 ZINC000066259825 562715364 /nfs/dbraw/zinc/71/53/64/562715364.db2.gz IJLFSDUMPYNLFI-UHFFFAOYSA-N 0 1 537.707 5.835 1 0 KKAFMN CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000068087551 562715772 /nfs/dbraw/zinc/71/57/72/562715772.db2.gz HGMNTONUIRWZDC-LHEWISCISA-N 0 1 654.775 5.305 1 0 KKAFMN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@@H+](C)C3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071340530 562719765 /nfs/dbraw/zinc/71/97/65/562719765.db2.gz CTDKNICFSSBXEM-ZYUWMNDKSA-N 0 1 605.739 5.829 1 0 KKAFMN CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)cn1-c1ccc(Cl)cc1 ZINC000072104696 562720562 /nfs/dbraw/zinc/72/05/62/562720562.db2.gz UJPBDGGSRHPSDU-UHFFFAOYSA-N 0 1 514.501 5.382 1 0 KKAFMN Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)c2Cn2cncn2)CC1 ZINC000072105036 562720643 /nfs/dbraw/zinc/72/06/43/562720643.db2.gz YMAOGAGJBIXOCM-UHFFFAOYSA-N 0 1 595.151 5.083 1 0 KKAFMN N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118056 562723392 /nfs/dbraw/zinc/72/33/92/562723392.db2.gz JLJBKTJUXXMOSG-MHZLTWQESA-N 0 1 594.559 7.752 1 0 KKAFMN O=S(=O)([N-]c1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)[NH2+]2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000072122107 562724410 /nfs/dbraw/zinc/72/44/10/562724410.db2.gz CVNUDPVQPWCUGZ-BHYWQNONSA-N 0 1 649.760 7.693 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000072127637 562725709 /nfs/dbraw/zinc/72/57/09/562725709.db2.gz WZRJGOIAGUHCGN-BCRFLOQVSA-N 0 1 653.529 7.008 3 0 KKAFMN COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072128663 562726202 /nfs/dbraw/zinc/72/62/02/562726202.db2.gz WTOYNTRHIJDKLN-XDWGWCSASA-N 0 1 659.805 5.640 3 0 KKAFMN O=C(N[C@H](c1cccnc1)c1ccc2c(c1)OCO2)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137567 562728332 /nfs/dbraw/zinc/72/83/32/562728332.db2.gz KJMXSWBTEKEAHU-SANMLTNESA-N 0 1 528.436 5.114 3 0 KKAFMN O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(N3CCC(N4CCCCC4)CC3)cc1S2(=O)=O ZINC000072137740 562728376 /nfs/dbraw/zinc/72/83/76/562728376.db2.gz QYWMDGVCAOOYAT-UHFFFAOYSA-N 0 1 646.131 6.121 3 0 KKAFMN O=C(N[C@H](c1ccc2c(c1)OCO2)c1ccccn1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137885 562728484 /nfs/dbraw/zinc/72/84/84/562728484.db2.gz FUYRUIZKDAQTBJ-AREMUKBSSA-N 0 1 528.436 5.114 3 0 KKAFMN O=C(N[C@@H](c1ccc2c(c1)OCO2)c1ccccn1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137886 562728492 /nfs/dbraw/zinc/72/84/92/562728492.db2.gz FUYRUIZKDAQTBJ-SANMLTNESA-N 0 1 528.436 5.114 3 0 KKAFMN O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000072138378 562728779 /nfs/dbraw/zinc/72/87/79/562728779.db2.gz SGXJPGOGXFONHH-GDLZYMKVSA-N 0 1 530.594 6.280 3 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccc(F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072142382 562729518 /nfs/dbraw/zinc/72/95/18/562729518.db2.gz GFQKDUOYURHVMT-ZRLASMASSA-N 0 1 543.683 5.474 3 0 KKAFMN CC(C)(C)CCOc1cccc(C2=NC3(CCC(C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)c1 ZINC000072317265 562733167 /nfs/dbraw/zinc/73/31/67/562733167.db2.gz BKPCTAJENJTTAU-WHPMNUFOSA-N 0 1 683.942 8.076 1 0 KKAFMN O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCc1ccc(-c3cccc(CN4Cc5ccccc5C4)c3)cc1)ccc2[O-] ZINC000073197707 562735435 /nfs/dbraw/zinc/73/54/35/562735435.db2.gz XYMOHROKZRXUHD-LJAQVGFWSA-N 0 1 537.685 5.344 1 0 KKAFMN Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCC[NH3+])CC[C@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1)O2 ZINC000073310876 562737855 /nfs/dbraw/zinc/73/78/55/562737855.db2.gz ABABGOMCKUKBIN-COOQHBHUSA-N 0 1 580.747 6.303 1 0 KKAFMN CN(C[C@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000080627731 562738869 /nfs/dbraw/zinc/73/88/69/562738869.db2.gz SZESKYUCLVPQFH-YUXVDHEWSA-N 0 1 591.626 5.943 1 0 KKAFMN CC(C)Cc1ccc([C@@H](C)C(=O)OCCCO[P@](=O)(COCCn2cnc3c2ncnc3N)OCCCSC(=O)[C@@H](N)C(C)C)cc1 ZINC000082140227 562739337 /nfs/dbraw/zinc/73/93/37/562739337.db2.gz HJYICCQACOCTRF-RCIPHKFISA-N 0 1 692.820 5.178 1 0 KKAFMN CCN1CCN(C[C@H]2S[C@@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157518 562740928 /nfs/dbraw/zinc/74/09/28/562740928.db2.gz UUJNEICCDMYHRP-LDNVYYCDSA-N 0 1 705.889 5.419 1 0 KKAFMN CCN1CCN(C[C@@H]2S[C@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164708 562741179 /nfs/dbraw/zinc/74/11/79/562741179.db2.gz SZDNRBMQYZRUIM-AFPLUKJUSA-N 0 1 691.862 5.110 1 0 KKAFMN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(NS(=O)(=O)c5cccc6ccccc65)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082181707 562741903 /nfs/dbraw/zinc/74/19/03/562741903.db2.gz IFPYLIOJLUMYJI-HXDWSPRTSA-N 0 1 722.772 5.801 1 0 KKAFMN Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2F)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1 ZINC000082190129 562742490 /nfs/dbraw/zinc/74/24/90/562742490.db2.gz MXVXMKOCRSBIMB-UHFFFAOYSA-N 0 1 665.723 5.029 1 0 KKAFMN COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c53)CCCC4)oc2c1 ZINC000084596261 562743677 /nfs/dbraw/zinc/74/36/77/562743677.db2.gz ZBIJYSUQXYNZEQ-UHFFFAOYSA-N 0 1 654.635 8.507 1 0 KKAFMN COc1ccc(-c2nc(C(=O)NCc3c(F)cc(F)cc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 ZINC000084604450 562744290 /nfs/dbraw/zinc/74/42/90/562744290.db2.gz VSXBEFLLDLMWSD-JTQLQIEISA-N 0 1 524.421 5.284 1 0 KKAFMN Brc1ccc(Oc2cc(Br)cc(Br)c2OCCCCCN2CCOCC2)c(Br)c1 ZINC000084651852 562746385 /nfs/dbraw/zinc/74/63/85/562746385.db2.gz JMQZBLUVCUYBTG-UHFFFAOYSA-N 0 1 657.035 7.410 1 0 KKAFMN O=C(Nc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000084654701 562747320 /nfs/dbraw/zinc/74/73/20/562747320.db2.gz OAOLQEIPWWTDLL-UHFFFAOYSA-N 0 1 508.287 7.234 1 0 KKAFMN 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ZXKXVEWMJRDJIN-OLYPDVMZSA-N 0 1 625.169 6.697 1 0 KKAFMN CN1CCN(c2ccc(Nc3ncc4nc(Nc5cccc(NC(=O)c6ccccc6)c5)n(C5CCCC5)c4n3)cc2)CC1 ZINC000095578816 562771385 /nfs/dbraw/zinc/77/13/85/562771385.db2.gz JNPLSSMHUNNPCB-UHFFFAOYSA-N 0 1 587.732 6.433 1 0 KKAFMN CCC(CC)C[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1)[N@H+]1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095579839 562771686 /nfs/dbraw/zinc/77/16/86/562771686.db2.gz UYBHFPHFNCWVMH-JYFHCDHNSA-N 0 1 554.087 6.193 1 0 KKAFMN CC[NH+]1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2F)C1 ZINC000095585431 562773614 /nfs/dbraw/zinc/77/36/14/562773614.db2.gz FUEMKENJKYZACX-UHFFFAOYSA-N 0 1 552.028 5.408 1 0 KKAFMN CC(C)(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1 ZINC000095587811 562774454 /nfs/dbraw/zinc/77/44/54/562774454.db2.gz HZJHQSYVTIOHJV-UHFFFAOYSA-N 0 1 625.720 5.239 1 0 KKAFMN C[NH+](C)CCOc1ccc(-c2nc(-c3ccc4c([C@@H](O)C(F)(F)C(F)(F)F)csc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095588326 562774618 /nfs/dbraw/zinc/77/46/18/562774618.db2.gz MRRAFIQTUKCGLD-AREMUKBSSA-N 0 1 588.602 7.192 1 0 KKAFMN COCCOCCOCCOc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)cc1)CC2 ZINC000095591416 562775617 /nfs/dbraw/zinc/77/56/17/562775617.db2.gz AJXVQXUPENYTDG-UHFFFAOYSA-N 0 1 719.835 6.566 1 0 KKAFMN COC(=O)c1ccc(-c2ccc(CN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095592186 562775885 /nfs/dbraw/zinc/77/58/85/562775885.db2.gz LNCUOIFARAALBE-UHFFFAOYSA-N 0 1 587.676 6.516 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095598718 562777524 /nfs/dbraw/zinc/77/75/24/562777524.db2.gz GQVRJEGSXSCMGQ-DSRMTXSPSA-N 0 1 650.780 5.517 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599224 562777870 /nfs/dbraw/zinc/77/78/70/562777870.db2.gz UFTUBZJHXRESLK-IFGDVQFWSA-N 0 1 724.723 6.861 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599262 562777960 /nfs/dbraw/zinc/77/79/60/562777960.db2.gz ZKPAWGOFKUDAFA-WCPDHXNLSA-N 0 1 685.788 6.672 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095599354 562777994 /nfs/dbraw/zinc/77/79/94/562777994.db2.gz VIOGDUQZNOFWDO-FILQNJKGSA-N 0 1 712.762 6.783 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095599316 562778006 /nfs/dbraw/zinc/77/80/06/562778006.db2.gz LGFCYAUQAJYOOY-CNFUJFEGSA-N 0 1 711.869 6.495 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095600128 562778593 /nfs/dbraw/zinc/77/85/93/562778593.db2.gz LGFCYAUQAJYOOY-BHUVWSLTSA-N 0 1 711.869 6.495 1 0 KKAFMN 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ZINC000095602371 562780033 /nfs/dbraw/zinc/78/00/33/562780033.db2.gz CBAAPWVHONFTKW-LJUIALDASA-N 0 1 724.843 6.039 1 0 KKAFMN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccncc2)OCCCC[C@H](C)O3)cc1 ZINC000095603447 562780537 /nfs/dbraw/zinc/78/05/37/562780537.db2.gz GNVPCHVWJKYRPL-FBTROWELSA-N 0 1 647.817 5.662 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095604360 562780994 /nfs/dbraw/zinc/78/09/94/562780994.db2.gz FDDMFJKLVOMWML-FOXNFBMGSA-N 0 1 703.683 7.704 1 0 KKAFMN Cc1cc(C(=O)Nc2cccc(-c3nc4c(ncnc4Nc4cccc(C(F)(F)F)c4)[nH]3)c2)ccc1Br ZINC000095604508 562781038 /nfs/dbraw/zinc/78/10/38/562781038.db2.gz CCRMNVUPVBMCEO-UHFFFAOYSA-N 0 1 567.369 7.106 1 0 KKAFMN O=C(Nc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o/c1=N\c1ccccc1 ZINC000095605328 562781497 /nfs/dbraw/zinc/78/14/97/562781497.db2.gz WAZWRCTZGZUBKE-OAPYJULQSA-N 0 1 593.525 7.002 1 0 KKAFMN CC(=O)c1ccc(OC[C@H](O)CN(C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670199 562788280 /nfs/dbraw/zinc/78/82/80/562788280.db2.gz DPSGNGUIODYZLY-SQHAQQRYSA-N 0 1 501.545 5.790 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095833224 562789300 /nfs/dbraw/zinc/78/93/00/562789300.db2.gz FORWBLLIOZUMCF-CGQTXMLISA-N 0 1 653.632 6.721 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095846828 562789522 /nfs/dbraw/zinc/78/95/22/562789522.db2.gz NLNOREAGNASAOL-KUXNCQQFSA-N 0 1 643.872 5.476 1 0 KKAFMN CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(-c3nnc(-c4ccncc4)o3)cccc2C1=O ZINC000095872172 562790060 /nfs/dbraw/zinc/79/00/60/562790060.db2.gz BFKLOOYJPCVUIN-AFMDSPMNSA-N 0 1 580.516 6.485 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4=CC[N@@H+](C(C)C)CC4)nc32)c1 ZINC000096175744 562791931 /nfs/dbraw/zinc/79/19/31/562791931.db2.gz FAPPNSTXRLTGTB-UHFFFAOYSA-N 0 1 657.841 6.504 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4=CC[N@H+](C(C)C)CC4)nc32)c1 ZINC000096175744 562791932 /nfs/dbraw/zinc/79/19/32/562791932.db2.gz FAPPNSTXRLTGTB-UHFFFAOYSA-N 0 1 657.841 6.504 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@H]4CC[NH2+]C4)nc32)c1 ZINC000096175755 562791961 /nfs/dbraw/zinc/79/19/61/562791961.db2.gz PVJJKPKHVQSUDO-FQEVSTJZSA-N 0 1 603.749 5.084 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@@H]4CC[N@H+](C)C4)nc32)c1 ZINC000096175756 562791997 /nfs/dbraw/zinc/79/19/97/562791997.db2.gz FJWLTICFCATXQI-OAQYLSRUSA-N 0 1 617.776 5.426 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@@H]4CC[N@@H+](C)C4)nc32)c1 ZINC000096175756 562791998 /nfs/dbraw/zinc/79/19/98/562791998.db2.gz FJWLTICFCATXQI-OAQYLSRUSA-N 0 1 617.776 5.426 1 0 KKAFMN CC(C)(C)c1[nH]nc2c1[C@H](c1ccccc1OCc1nn[nH]n1)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177182 562792415 /nfs/dbraw/zinc/79/24/15/562792415.db2.gz ODRDXISBDWRQIB-DEOSSOPVSA-N 0 1 511.611 5.278 1 0 KKAFMN CCOc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)[nH+]ccc3c2)n1 ZINC000096283227 562794850 /nfs/dbraw/zinc/79/48/50/562794850.db2.gz DVQBLDBVWMOMBH-UHFFFAOYSA-N 0 1 541.608 5.004 1 0 KKAFMN CCn1nc(Cc2ccc3ccccc3c2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903983 562798074 /nfs/dbraw/zinc/79/80/74/562798074.db2.gz CHOHDRRBJZPQIH-URSHZUDISA-N 0 1 610.818 7.180 1 0 KKAFMN CCn1nc(Cc2ccc3ccccc3c2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903983 562798075 /nfs/dbraw/zinc/79/80/75/562798075.db2.gz CHOHDRRBJZPQIH-URSHZUDISA-N 0 1 610.818 7.180 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cc(Br)ccc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905563 562798516 /nfs/dbraw/zinc/79/85/16/562798516.db2.gz HUXCHDMGBJNVQS-SGUQQXKUSA-N 0 1 571.487 5.928 1 0 KKAFMN COc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096909599 562799673 /nfs/dbraw/zinc/79/96/73/562799673.db2.gz NXMDPNGPDQYQEL-PZGXJGMVSA-N 0 1 503.643 5.158 1 0 KKAFMN C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2[C@](C)(Br)[C@H]2Oc3[nH]cc(-c4ccc(O)c(Br)c4Br)c(=O)c3C(=O)[C@@H]12 ZINC000096910182 562799884 /nfs/dbraw/zinc/79/98/84/562799884.db2.gz UGRSAUDSEOXIOT-PHJQESNTSA-N 0 1 670.236 7.657 1 0 KKAFMN CS(=O)(=O)NCCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000096937285 562804169 /nfs/dbraw/zinc/80/41/69/562804169.db2.gz QXBRLYYVUXFWHN-UHFFFAOYSA-N 0 1 596.084 5.644 1 0 KKAFMN O=C1[C@H]2[C@@H](C(=O)N1CCCN1CCN(CCCN3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)CC1)C1c3ccccc3C2c2ccccc21 ZINC000098085232 562805812 /nfs/dbraw/zinc/80/58/12/562805812.db2.gz NIYHRHQXPVSRCC-YANSGNLESA-N 0 1 716.882 5.169 1 0 KKAFMN O=C1O[C@@](c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 ZINC000150571734 562845123 /nfs/dbraw/zinc/84/51/23/562845123.db2.gz FSEVMRBUPGTANR-HXUWFJFHSA-N 0 1 821.912 5.979 1 0 KKAFMN O=c1oc2c(c([O-])c1[C@H](c1cccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000100764453 562807723 /nfs/dbraw/zinc/80/77/23/562807723.db2.gz BVTSKKVADLFLSG-PMERELPUSA-N 0 1 619.761 6.131 1 0 KKAFMN CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000101127797 562809385 /nfs/dbraw/zinc/80/93/85/562809385.db2.gz KAHFZGUOPFFVHW-OYRHEFFESA-N 0 1 526.530 5.192 1 0 KKAFMN COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)[C@@H]2Oc3c(c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000101169913 562809612 /nfs/dbraw/zinc/80/96/12/562809612.db2.gz OSJRZMYTBINECU-DWACAAAGSA-N 0 1 510.970 5.331 1 0 KKAFMN COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)C2Oc3c(c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000101169913 562809613 /nfs/dbraw/zinc/80/96/13/562809613.db2.gz OSJRZMYTBINECU-DWACAAAGSA-N 0 1 510.970 5.331 1 0 KKAFMN Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c2cccc(Br)c2)c(O)c2ccccc21 ZINC000101425606 562810665 /nfs/dbraw/zinc/81/06/65/562810665.db2.gz JOUBULJINPWKBS-HKBQPEDESA-N 0 1 621.531 6.997 1 0 KKAFMN C[C@@H]1CN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000101696383 562811890 /nfs/dbraw/zinc/81/18/90/562811890.db2.gz TWPQZUPBFGJHLF-SZPZYZBQSA-N 0 1 597.737 6.102 1 0 KKAFMN CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000103168462 562814659 /nfs/dbraw/zinc/81/46/59/562814659.db2.gz BZGXJAYQPGNMPS-UHFFFAOYSA-N 0 1 574.070 5.275 1 0 KKAFMN Cc1ccccc1NC(=S)Nc1cc2c(cc1N1CCN(C)CC1)ncnc2Sc1nnc(-c2cccnc2)o1 ZINC000103177734 562815121 /nfs/dbraw/zinc/81/51/21/562815121.db2.gz LRKARURTUJNEEA-UHFFFAOYSA-N 0 1 569.720 5.095 1 0 KKAFMN CCCCCc1ccc(CCCCCCCCNC(=Nc2ccc(OC)cc2OC)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103218565 562817293 /nfs/dbraw/zinc/81/72/93/562817293.db2.gz LIKGWYONRSPDKV-UHFFFAOYSA-N 0 1 580.766 7.069 1 0 KKAFMN NC(=O)[C@]1(c2cc(C(=O)[O-])c(F)cn2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227240 562817909 /nfs/dbraw/zinc/81/79/09/562817909.db2.gz BZDGXSLJPOLSJO-BJFLIPCPSA-N 0 1 528.411 5.365 1 0 KKAFMN O=C(Nc1noc2ccccc21)N1CCC2(CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)CC1 ZINC000103263317 562821715 /nfs/dbraw/zinc/82/17/15/562821715.db2.gz ACKUHCJCHQNYIY-UHFFFAOYSA-N 0 1 503.002 6.403 1 0 KKAFMN O=S(=O)([N-]c1nccs1)c1ccc(NCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103273232 562823123 /nfs/dbraw/zinc/82/31/23/562823123.db2.gz JOMUSSLDRWWFCZ-HHHXNRCGSA-N 0 1 568.168 5.416 1 0 KKAFMN O=C(N[C@@H](c1ccc(Cl)cc1)c1ccncc1Cl)[C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1 ZINC000103283338 562823679 /nfs/dbraw/zinc/82/36/79/562823679.db2.gz IRIWJXZITBMJPY-SEDKXUNQSA-N 0 1 603.388 6.641 1 0 KKAFMN Cn1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)nc4)cc3=O)ccc2c2c1C[C@@H]1CCCCN1C2 ZINC000113184625 562826312 /nfs/dbraw/zinc/82/63/12/562826312.db2.gz XWPGBIBRTXZJOU-IBGZPJMESA-N 0 1 508.544 5.233 1 0 KKAFMN C[N@H+]1CCC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)cn2)C1 ZINC000114037602 562827138 /nfs/dbraw/zinc/82/71/38/562827138.db2.gz DYGYGRPOZXQEEJ-FQEVSTJZSA-N 0 1 536.463 6.714 1 0 KKAFMN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(-c4ccc(N5CCN(C)CC5)cc4)c3c2)cc(Cl)c1O ZINC000114038612 562827361 /nfs/dbraw/zinc/82/73/61/562827361.db2.gz GLHROWBUCMOGNC-UHFFFAOYSA-N 0 1 528.052 6.281 1 0 KKAFMN COc1ccccc1[N-]S(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114984813 562828728 /nfs/dbraw/zinc/82/87/28/562828728.db2.gz RNVUOYZLPFCBTM-MUUNZHRXSA-N 0 1 541.113 5.868 1 0 KKAFMN COc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(N)n[nH]c3c2)c(Cl)[nH]1 ZINC000115472885 562828937 /nfs/dbraw/zinc/82/89/37/562828937.db2.gz GGPJCMQUDHGKHP-NRFANRHFSA-N 0 1 550.450 5.634 1 0 KKAFMN Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4C(F)(F)F)[nH]c3Cl)ccc12 ZINC000115472418 562828949 /nfs/dbraw/zinc/82/89/49/562828949.db2.gz YLPAVYXUOMTFKQ-NRFANRHFSA-N 0 1 588.421 6.644 1 0 KKAFMN CCC(=O)C(CCCCCCCCOc1ccc(OCCCCCCCCC(C(=O)CC)C(=O)CC)cc1)=C(O)CC ZINC000137165745 562831355 /nfs/dbraw/zinc/83/13/55/562831355.db2.gz HNJILKKEBZKEBA-UHFFFAOYSA-N 0 1 586.854 9.054 1 0 KKAFMN Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CCN(C)CC2)cc1Nc1nccc(-c2ccncc2)n1 ZINC000138993645 562832288 /nfs/dbraw/zinc/83/22/88/562832288.db2.gz GMYQHOQOEQWZGN-LJAQVGFWSA-N 0 1 519.653 5.078 1 0 KKAFMN COc1cc(C(=O)N[C@H]2CCN(C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145960862 562837853 /nfs/dbraw/zinc/83/78/53/562837853.db2.gz LYNGPWZAZYWOKX-HNNXBMFYSA-N 0 1 575.975 5.256 1 0 KKAFMN CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(S(=O)(=O)c1ccc(Oc3ccccc3)nc1)CC2 ZINC000146028631 562837932 /nfs/dbraw/zinc/83/79/32/562837932.db2.gz ZAZCOTLEJQPTSN-UHFFFAOYSA-N 0 1 610.671 5.961 1 0 KKAFMN COc1cc(C(=O)N[C@H]2CCN(C(C)C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146057621 562838038 /nfs/dbraw/zinc/83/80/38/562838038.db2.gz XJRWCPZGHQLUHK-USCONSEESA-N 0 1 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/nfs/dbraw/zinc/90/42/42/562904242.db2.gz CQSXEWQTJJBVIV-LIXHSBQKSA-N 0 1 569.098 5.257 1 0 KKAFMN C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473228788 562904267 /nfs/dbraw/zinc/90/42/67/562904267.db2.gz NKDZROMWWAMFAT-JTAQYXEDSA-N 0 1 561.506 5.975 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1CCCN1C(=O)CCC1=O ZINC000473228803 562904339 /nfs/dbraw/zinc/90/43/39/562904339.db2.gz PHYKEKFBKMAHAX-ATEJDMMGSA-N 0 1 567.126 5.811 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1CCCN1C(=O)CN(C)C1=O ZINC000473228834 562904359 /nfs/dbraw/zinc/90/43/59/562904359.db2.gz SYQQATVPFSCLFE-VSPOGIRPSA-N 0 1 582.141 5.556 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CCC1=O ZINC000473233327 562904553 /nfs/dbraw/zinc/90/45/53/562904553.db2.gz UWEVIRFQSCBLOI-OWHZGTRUSA-N 0 1 587.088 5.396 1 0 KKAFMN Cc1cc(C[N@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473243922 562904796 /nfs/dbraw/zinc/90/47/96/562904796.db2.gz FSMLDTQPTMJAHS-FUDKSRODSA-N 0 1 590.548 6.029 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473244444 562904839 /nfs/dbraw/zinc/90/48/39/562904839.db2.gz LKFYHONURQIOHX-KCZVDYSFSA-N 0 1 575.077 5.470 1 0 KKAFMN COc1ccc(C[C@H]2c3ccc(NCCCCOc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474608926 562905481 /nfs/dbraw/zinc/90/54/81/562905481.db2.gz MZWKPHIXSKOBGW-UMSFTDKQSA-N 0 1 593.768 6.433 1 0 KKAFMN COc1ccc(C[C@H]2c3ccc(NCCCCOc4ccccc4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474608926 562905482 /nfs/dbraw/zinc/90/54/82/562905482.db2.gz MZWKPHIXSKOBGW-UMSFTDKQSA-N 0 1 593.768 6.433 1 0 KKAFMN Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653663048 562905925 /nfs/dbraw/zinc/90/59/25/562905925.db2.gz FKHMXABMILEREF-UHFFFAOYSA-N 0 1 615.111 5.842 1 0 KKAFMN CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N(Cc4ccsc4)C(=O)c4cc(Cl)c(O)cc4O)cc3)cc2)CC1 ZINC000653672887 562906182 /nfs/dbraw/zinc/90/61/82/562906182.db2.gz WDTTVXPLOSQFLL-UHFFFAOYSA-N 0 1 598.146 5.263 1 0 KKAFMN CCN1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6ncsc6c5)nc(C)n4)c3)cn2)CC1 ZINC000653676801 562906241 /nfs/dbraw/zinc/90/62/41/562906241.db2.gz AWQIISONEYHGLG-FQEVSTJZSA-N 0 1 536.709 5.834 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000653701032 562907433 /nfs/dbraw/zinc/90/74/33/562907433.db2.gz GQPSVVAMVNMEAC-DLFZDVPBSA-N 0 1 570.550 5.038 1 0 KKAFMN CCCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)c(OCCCC)c2=O ZINC000653701037 562907466 /nfs/dbraw/zinc/90/74/66/562907466.db2.gz GSMSNEOZIULMAW-MVSFAKPFSA-N 0 1 592.641 6.111 1 0 KKAFMN COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(Oc1ccccc1)Oc1cc(=O)c2c(O)cc(-c3ccc(O)cc3)oc-2c1 ZINC000653714719 562908443 /nfs/dbraw/zinc/90/84/43/562908443.db2.gz FYQBBUXBNJHKDJ-NBKHBDGKSA-N 0 1 587.521 5.811 1 0 KKAFMN COC(=O)[C@H](CC(C)C)N[P@](=O)(Oc1ccccc1)Oc1cc(=O)c2c(O)cc(-c3ccc(O)cc3)oc-2c1 ZINC000653714809 562908446 /nfs/dbraw/zinc/90/84/46/562908446.db2.gz NJYJLZHENCTSPI-NXTAUOLQSA-N 0 1 553.504 5.614 1 0 KKAFMN CCCC[C@H](OC(=O)CN1CCN(CCCCCOc2ccccc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653725348 562909004 /nfs/dbraw/zinc/90/90/04/562909004.db2.gz GLQVMMJJLNNFHT-DFXWXNOTSA-N 0 1 761.869 6.321 1 0 KKAFMN O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)cc1 ZINC000653755672 562910898 /nfs/dbraw/zinc/91/08/98/562910898.db2.gz NAPUUMNGUCFIDS-UHFFFAOYSA-N 0 1 572.914 7.759 1 0 KKAFMN Cc1ccccc1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653821076 562914119 /nfs/dbraw/zinc/91/41/19/562914119.db2.gz QKQPZGLOIOYBDS-UHFFFAOYSA-N 0 1 507.779 5.787 1 0 KKAFMN COc1ccc(NC(=O)c2cccc3nc(-c4cc(Br)nn4-c4ncccc4Cl)[nH]c32)c(OC)c1 ZINC000653823256 562914270 /nfs/dbraw/zinc/91/42/70/562914270.db2.gz RVAWYPKNLJFBAZ-UHFFFAOYSA-N 0 1 553.804 5.496 1 0 KKAFMN COc1cc2ccc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000070454474 565119595 /nfs/dbraw/zinc/11/95/95/565119595.db2.gz KHGZQWZWPVXXTQ-XZWHSSHBSA-N 0 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMN COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@]36N[C@]7(C)C=C[C@H]3CCC[C@H]6CC7)c(c2-5)[C@H](O)N4)cc(OC)c1O ZINC000085567453 565142286 /nfs/dbraw/zinc/14/22/86/565142286.db2.gz KVHGXZTWYZXVPU-VPLORUQYSA-N 0 1 668.787 6.013 1 0 biogenic,in-vitro KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc(Cc4ccccc4)c(=O)[nH]c3-c3ccccc3)cc2)CC1 ZINC000003917945 561685234 /nfs/dbraw/zinc/68/52/34/561685234.db2.gz UYMMZCJEAFAEMD-UHFFFAOYSA-N 0 1 567.693 6.175 1 0 KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4nc3C(C)C)cc2)cc1OC ZINC000003922479 561685925 /nfs/dbraw/zinc/68/59/25/561685925.db2.gz UFVMYINQBBDCKW-UHFFFAOYSA-N 0 1 551.709 5.251 1 0 KKAFMN S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)N1CCC(c2cnc[nH]2)CC1 ZINC000003937426 561688765 /nfs/dbraw/zinc/68/87/65/561688765.db2.gz MAYDDJZDEDNDPY-UHFFFAOYSA-N 0 1 568.372 5.635 1 0 KKAFMN CCOc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)Nc2c(CC)cccc2CC)cc1 ZINC000003953114 561690672 /nfs/dbraw/zinc/69/06/72/561690672.db2.gz RNNCMVHNZGHSLY-ICTSCBFQSA-N 0 1 544.648 5.419 1 0 KKAFMN Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000003955738 561690929 /nfs/dbraw/zinc/69/09/29/561690929.db2.gz DARWTXHQOOFYSC-UHFFFAOYSA-N 0 1 503.487 5.847 1 0 KKAFMN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCc5nc6ccc(C)cc6[nH]5)[C@@]4(C)CC[C@@H]32)C1 ZINC000005542957 561696336 /nfs/dbraw/zinc/69/63/36/561696336.db2.gz JRIXXSPBRNQPKM-GUSMEPIDSA-N 0 1 504.759 8.031 1 0 KKAFMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccc(OC)cc5)[nH]c4-c4ccccc4)cc3)[nH]2)cc1 ZINC000006240004 561702821 /nfs/dbraw/zinc/70/28/21/561702821.db2.gz BSZYRVOQMHNNNM-UHFFFAOYSA-N 0 1 574.684 9.152 1 0 KKAFMN COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OC)cc5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000006240004 561702823 /nfs/dbraw/zinc/70/28/23/561702823.db2.gz BSZYRVOQMHNNNM-UHFFFAOYSA-N 0 1 574.684 9.152 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)CCC3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013470128 561713728 /nfs/dbraw/zinc/71/37/28/561713728.db2.gz OGLPMQNZHVJQFI-NNFJYWIMSA-N 0 1 506.687 5.454 1 0 KKAFMN Cc1ccccc1N1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000013479385 561715029 /nfs/dbraw/zinc/71/50/29/561715029.db2.gz ASNNTFFABYDNRF-RUZDIDTESA-N 0 1 512.119 5.265 1 0 KKAFMN O=C(c1cc(-c2ccc(F)cc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2)N1CCNCC1 ZINC000013487126 561715144 /nfs/dbraw/zinc/71/51/44/561715144.db2.gz FBUWJQYMBWYMNV-UHFFFAOYSA-N 0 1 517.363 5.345 1 0 KKAFMN CSCC[C@H](NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1ccccc1C)C(=O)OC1CCCCC1 ZINC000013533236 561717773 /nfs/dbraw/zinc/71/77/73/561717773.db2.gz BIJVUDDMIFVIGJ-NDEPHWFRSA-N 0 1 534.726 5.402 1 0 KKAFMN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000013646579 561722653 /nfs/dbraw/zinc/72/26/53/561722653.db2.gz AWVLDLUQVKNAMT-JOCHJYFZSA-N 0 1 501.671 5.854 1 0 in-vitro KKAFMN COc1ccc(C(OCCC[N@H+]2CCC[C@H](C(=O)[O-])C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000013737910 561725634 /nfs/dbraw/zinc/72/56/34/561725634.db2.gz YEECPDWLBQWZKU-QHCPKHFHSA-N 0 1 519.638 5.208 1 0 KKAFMN CCCC[C@H]1CCc2cc(C(=O)C(C)C)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740445 561726040 /nfs/dbraw/zinc/72/60/40/561726040.db2.gz HGRLRYSQVKQOPB-MHZLTWQESA-N 0 1 500.731 6.534 1 0 KKAFMN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744248 561726646 /nfs/dbraw/zinc/72/66/46/561726646.db2.gz LZHHKCZHWRYWOD-ZCYQVOJMSA-N 0 1 536.669 5.884 1 0 KKAFMN CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1 ZINC000013756575 561727310 /nfs/dbraw/zinc/72/73/10/561727310.db2.gz KPHRDRFCGGZQJY-MNNSJKJDSA-N 0 1 529.658 6.424 1 0 KKAFMN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824934 561732843 /nfs/dbraw/zinc/73/28/43/561732843.db2.gz QFUKWQQHSSRPQM-UHFFFAOYSA-N 0 1 509.593 5.593 1 0 KKAFMN C[C@@H]1CN(c2ncc([C@@H](O)CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1 ZINC000014210665 561737989 /nfs/dbraw/zinc/73/79/89/561737989.db2.gz VZBVEWNPFLFUCS-GTJPDFRWSA-N 0 1 585.936 5.455 1 0 KKAFMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3ncc(-c4nn[nH]n4)cc3-c3ccccc3)cc2)CC1 ZINC000014957988 561748116 /nfs/dbraw/zinc/74/81/16/561748116.db2.gz INUGOQWCVGGZKS-UHFFFAOYSA-N 0 1 528.620 5.076 1 0 KKAFMN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2NC(C)C)c1Cl ZINC000014963219 561748964 /nfs/dbraw/zinc/74/89/64/561748964.db2.gz KXHOQPZAXTWOOG-UHFFFAOYSA-N 0 1 593.924 6.682 1 0 KKAFMN COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1 ZINC000014965603 561749791 /nfs/dbraw/zinc/74/97/91/561749791.db2.gz NFUYWPLTEOKUJO-UHFFFAOYSA-N 0 1 561.492 5.759 1 0 KKAFMN CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2O)c1-c1cccc(C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000014974834 561752165 /nfs/dbraw/zinc/75/21/65/561752165.db2.gz ZTEUZIUQSSFLER-UHFFFAOYSA-N 0 1 544.961 5.867 1 0 KKAFMN Ic1cccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019366767 561758557 /nfs/dbraw/zinc/75/85/57/561758557.db2.gz KNGIMKGSUWBSIZ-CSKARUKUSA-N 0 1 538.473 5.728 1 0 KKAFMN CC(C)N(CCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc(C(C)(C)C)ccc1O ZINC000022934260 561760598 /nfs/dbraw/zinc/76/05/98/561760598.db2.gz YLDZFBCNASIHQU-JGCGQSQUSA-N 0 1 534.188 7.355 1 0 KKAFMN CNC(=O)c1cc(Oc2cc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)oc3c(Cl)c2)ccn1 ZINC000023359495 561762172 /nfs/dbraw/zinc/76/21/72/561762172.db2.gz ABWJVVCPMHFSTN-UHFFFAOYSA-N 0 1 541.439 5.173 1 0 KKAFMN Cc1ccc(NC(=O)c2cc(-c3ccccc3)ns2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000023360695 561762183 /nfs/dbraw/zinc/76/21/83/561762183.db2.gz YLFVOCWPJQUYGK-UHFFFAOYSA-N 0 1 525.678 5.371 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 ZINC000025421641 561762805 /nfs/dbraw/zinc/76/28/05/561762805.db2.gz YUXRZMJBOMYGHS-NDEPHWFRSA-N 0 1 610.683 5.956 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+](C)CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000025964457 561763040 /nfs/dbraw/zinc/76/30/40/561763040.db2.gz DKTFEUJGLCUSHM-ZNBSHBAVSA-N 0 1 586.754 6.780 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@@H+](C)CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000025964457 561763041 /nfs/dbraw/zinc/76/30/41/561763041.db2.gz DKTFEUJGLCUSHM-ZNBSHBAVSA-N 0 1 586.754 6.780 1 0 KKAFMN CCCCCN(CCCCC)C(=O)C[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000025995525 561765094 /nfs/dbraw/zinc/76/50/94/561765094.db2.gz OHRCIWHHGVOLAK-JPHFWNGBSA-N 0 1 538.685 5.474 1 0 KKAFMN CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)[N-]c4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 ZINC000026147097 561767280 /nfs/dbraw/zinc/76/72/80/561767280.db2.gz YKAVVIHZGFUKAP-HKBQPEDESA-N 0 1 613.765 5.497 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cccc(F)c76)CC5)CC4)OCCO3)cc2)cc1 ZINC000026381282 561783459 /nfs/dbraw/zinc/78/34/59/561783459.db2.gz SVZWHYBKLRIBMQ-UHFFFAOYSA-N 0 1 658.792 6.037 1 0 KKAFMN Cc1c2cc(O)cc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@H](CCN1CCN(c2cc(C)ccn2)CC1)O3 ZINC000026403897 561789253 /nfs/dbraw/zinc/78/92/53/561789253.db2.gz PWQSGDXLYIZACP-VWLOTQADSA-N 0 1 512.654 5.321 1 0 KKAFMN CCCCC(=O)OCC=Cc1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000026576749 561800600 /nfs/dbraw/zinc/80/06/00/561800600.db2.gz HWVGJVCMLHDGBE-CMDGGOBGSA-N 0 1 522.693 7.289 1 0 KKAFMN CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCS3)CC2)CC1 ZINC000026655818 561809291 /nfs/dbraw/zinc/80/92/91/561809291.db2.gz AVQPCIQXTRILEZ-UHFFFAOYSA-N 0 1 590.833 5.494 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000026579021 561804061 /nfs/dbraw/zinc/80/40/61/561804061.db2.gz NCQZTUCLQGWATO-IMISRGLISA-N 0 1 626.071 6.596 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000026652192 561808590 /nfs/dbraw/zinc/80/85/90/561808590.db2.gz WJWXIAWSIAEAJJ-JRTUOMDPSA-N 0 1 557.181 5.289 1 0 KKAFMN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(C(N)=O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026817330 561820500 /nfs/dbraw/zinc/82/05/00/561820500.db2.gz AAWUILGXEAAQRJ-UHFFFAOYSA-N 0 1 536.619 5.129 1 0 KKAFMN CCOC(=O)C1=C(COCCn2c(C)nc(C)c2C)NC(C)=C(C(=O)NC(C)(C)C)[C@H]1c1ccccc1Cl ZINC000026829484 561822580 /nfs/dbraw/zinc/82/25/80/561822580.db2.gz FWGSJRZOTIAHEE-HEBMYIDGSA-N 0 1 543.108 5.712 1 0 KKAFMN O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026838381 561825031 /nfs/dbraw/zinc/82/50/31/561825031.db2.gz DDSLRSIEDFCEEP-DTISGFQVSA-N 0 1 562.113 7.663 1 0 KKAFMN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@@H](c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083348 561835621 /nfs/dbraw/zinc/83/56/21/561835621.db2.gz BYTINRYNDVFJIV-YTCPBCGMSA-N 0 1 529.750 5.882 1 0 KKAFMN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083348 561835622 /nfs/dbraw/zinc/83/56/22/561835622.db2.gz BYTINRYNDVFJIV-YTCPBCGMSA-N 0 1 529.750 5.882 1 0 KKAFMN C[S@@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccccc4)c3)[nH]2)cc1 ZINC000026970896 561830268 /nfs/dbraw/zinc/83/02/68/561830268.db2.gz KVXOCOUVUJHXOI-QNGWXLTQSA-N 0 1 528.678 6.920 1 0 KKAFMN CCCCCS(=O)(=O)N(CCC)CC[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OCCC)cc1 ZINC000026974508 561830643 /nfs/dbraw/zinc/83/06/43/561830643.db2.gz DPADGXFJBCNLKG-XUEBXJBISA-N 0 1 588.767 5.277 1 0 KKAFMN C[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026976361 561830929 /nfs/dbraw/zinc/83/09/29/561830929.db2.gz KLNREZJWLLCYLH-IVUOSGLUSA-N 0 1 659.787 5.775 1 0 KKAFMN CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026998125 561833668 /nfs/dbraw/zinc/83/36/68/561833668.db2.gz SJZGJLYNRZRTHV-UTEVTPAPSA-N 0 1 693.914 6.136 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(Cl)c6C)CC5)CC4)OCCO3)cc2)cc1 ZINC000027095379 561837893 /nfs/dbraw/zinc/83/78/93/561837893.db2.gz RSYVEDOZAAVCTE-UHFFFAOYSA-N 0 1 639.214 5.706 1 0 KKAFMN CCc1cccc(CC)c1NC(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC(C)C)cc1 ZINC000027191420 561843526 /nfs/dbraw/zinc/84/35/26/561843526.db2.gz LZIKFQTYKMMZSV-FUKIBTTHSA-N 0 1 558.675 5.807 1 0 KKAFMN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@H+]2CC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000027194847 561844089 /nfs/dbraw/zinc/84/40/89/561844089.db2.gz HFWWOBMAMIJJEP-KPLXGGORSA-N 0 1 544.648 5.169 1 0 KKAFMN CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CC)cc1 ZINC000027312291 561850879 /nfs/dbraw/zinc/85/08/79/561850879.db2.gz HGAJVFNBZHLNNH-RKJPZGCHSA-N 0 1 522.686 5.290 1 0 KKAFMN COc1ccccc1N1CCN(CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000027428617 561858964 /nfs/dbraw/zinc/85/89/64/561858964.db2.gz KHBBXDUMTOKHAJ-HKBQPEDESA-N 0 1 546.633 7.713 1 0 KKAFMN C[C@@H](OC[C@@H](c1ccccc1)[NH+]1CCN(CCOCC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518542 561862402 /nfs/dbraw/zinc/86/24/02/561862402.db2.gz VONJODYKTRPIQC-JPYJTQIMSA-N 0 1 548.524 5.262 1 0 KKAFMN O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027549630 561867638 /nfs/dbraw/zinc/86/76/38/561867638.db2.gz NKFYFKVMXRDNEH-UHFFFAOYSA-N 0 1 531.578 5.459 1 0 KKAFMN O=C1CC[C@@](CCN2CC(N3CCO[C@@H](c4ccccc4)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000027623371 561872847 /nfs/dbraw/zinc/87/28/47/561872847.db2.gz YBYSBOXLPMEIAC-VTIYRKAUSA-N 0 1 578.584 6.202 1 0 KKAFMN COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(c2ccccc2)CC1)C(C)=O ZINC000027868493 561887976 /nfs/dbraw/zinc/88/79/76/561887976.db2.gz AXHGMEAMIKHBDC-SSEXGKCCSA-N 0 1 552.719 5.132 1 0 KKAFMN COc1cc2c(cc1OC)[C@](CCCN1CCN(c3ccccc3Cl)CC1)(c1ccc(F)cc1)OCC2 ZINC000027887148 561889570 /nfs/dbraw/zinc/88/95/70/561889570.db2.gz UTUCRGRDOADXJQ-PMERELPUSA-N 0 1 525.064 5.915 1 0 KKAFMN COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CC[NH+](C)CC2)nc1OCCOc1ncc(Br)cn1 ZINC000027902739 561891048 /nfs/dbraw/zinc/89/10/48/561891048.db2.gz NMHKNNATZNLGSX-UHFFFAOYSA-N 0 1 728.670 5.138 1 0 KKAFMN COc1cc(C(=O)N2CO[C@](CCN3CCN(c4ccc(C(C)=O)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027995861 561893746 /nfs/dbraw/zinc/89/37/46/561893746.db2.gz CRTJVWSMULCYJN-XIFFEERXSA-N 0 1 642.580 5.760 1 0 KKAFMN Cc1cc(OCc2ccc(C(C)(C)C)cc2)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000028002423 561894943 /nfs/dbraw/zinc/89/49/43/561894943.db2.gz FOEBZCFJODUQDF-NJHZRGNWSA-N 0 1 543.752 5.303 1 0 KKAFMN CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013581 561896788 /nfs/dbraw/zinc/89/67/88/561896788.db2.gz MEIWEAHNGJVULN-NXLXXTAESA-N 0 1 678.893 8.354 1 0 KKAFMN CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013581 561896790 /nfs/dbraw/zinc/89/67/90/561896790.db2.gz MEIWEAHNGJVULN-NXLXXTAESA-N 0 1 678.893 8.354 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4cccc(NC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014575 561897146 /nfs/dbraw/zinc/89/71/46/561897146.db2.gz DOPPOXSLOURTSB-FZKFUBHISA-N 0 1 589.800 6.069 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4cccc(NC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014575 561897148 /nfs/dbraw/zinc/89/71/48/561897148.db2.gz DOPPOXSLOURTSB-FZKFUBHISA-N 0 1 589.800 6.069 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016364 561897447 /nfs/dbraw/zinc/89/74/47/561897447.db2.gz SESNYPNPIJXNNP-DSYZROQBSA-N 0 1 602.839 7.151 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016364 561897449 /nfs/dbraw/zinc/89/74/49/561897449.db2.gz SESNYPNPIJXNNP-DSYZROQBSA-N 0 1 602.839 7.151 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc5c(c4)OCO5)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028019886 561898260 /nfs/dbraw/zinc/89/82/60/561898260.db2.gz YHXSYDDMGBQKTA-NZUHDKDNSA-N 0 1 604.767 5.756 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc5c(c4)OCO5)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028019886 561898262 /nfs/dbraw/zinc/89/82/62/561898262.db2.gz YHXSYDDMGBQKTA-NZUHDKDNSA-N 0 1 604.767 5.756 1 0 KKAFMN CCn1nc(Cc2ccc(C(C)C)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022008 561898678 /nfs/dbraw/zinc/89/86/78/561898678.db2.gz ALNIPKRVLOOYCX-LYEZUSGXSA-N 0 1 602.839 7.151 1 0 KKAFMN CCn1nc(Cc2ccc(C(C)C)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022008 561898680 /nfs/dbraw/zinc/89/86/80/561898680.db2.gz ALNIPKRVLOOYCX-LYEZUSGXSA-N 0 1 602.839 7.151 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028088080 561899441 /nfs/dbraw/zinc/89/94/41/561899441.db2.gz BYGHXMKCHHHFAS-FZKFUBHISA-N 0 1 658.781 6.968 1 0 KKAFMN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028088080 561899442 /nfs/dbraw/zinc/89/94/42/561899442.db2.gz BYGHXMKCHHHFAS-FZKFUBHISA-N 0 1 658.781 6.968 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028093220 561900368 /nfs/dbraw/zinc/90/03/68/561900368.db2.gz HLZAJLBSYWFNOU-BYBKDXPSSA-N 0 1 666.882 7.606 1 0 KKAFMN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028093220 561900369 /nfs/dbraw/zinc/90/03/69/561900369.db2.gz HLZAJLBSYWFNOU-BYBKDXPSSA-N 0 1 666.882 7.606 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028096648 561900902 /nfs/dbraw/zinc/90/09/02/561900902.db2.gz AZCPMEMQWSWETI-PEMZAYNASA-N 0 1 608.774 6.175 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028096648 561900905 /nfs/dbraw/zinc/90/09/05/561900905.db2.gz AZCPMEMQWSWETI-PEMZAYNASA-N 0 1 608.774 6.175 1 0 KKAFMN CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028099415 561901428 /nfs/dbraw/zinc/90/14/28/561901428.db2.gz TXDOSWQGMXTMBQ-LEFKNYOOSA-N 0 1 628.755 7.046 1 0 KKAFMN CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028099415 561901430 /nfs/dbraw/zinc/90/14/30/561901430.db2.gz TXDOSWQGMXTMBQ-LEFKNYOOSA-N 0 1 628.755 7.046 1 0 KKAFMN CC(C)NC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028244720 561910679 /nfs/dbraw/zinc/91/06/79/561910679.db2.gz WCNLMXWMUNFZFK-UHFFFAOYSA-N 0 1 679.793 7.369 1 0 KKAFMN O=C([O-])[C@H](CCC1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028236160 561909656 /nfs/dbraw/zinc/90/96/56/561909656.db2.gz ADFRLQLNMJKEBV-YJKLBIRBSA-N 0 1 554.678 5.594 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(CCC(=O)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028236761 561909834 /nfs/dbraw/zinc/90/98/34/561909834.db2.gz YDBGAVBSGNGJBY-QTKNLHBISA-N 0 1 534.716 6.250 1 0 KKAFMN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(CCC(=O)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028236761 561909836 /nfs/dbraw/zinc/90/98/36/561909836.db2.gz YDBGAVBSGNGJBY-QTKNLHBISA-N 0 1 534.716 6.250 1 0 KKAFMN O=C(CCN1CCC(O)CC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028379156 561919846 /nfs/dbraw/zinc/91/98/46/561919846.db2.gz QTSMYNTYQCWCES-UHFFFAOYSA-N 0 1 540.991 5.081 1 0 KKAFMN NC(=[NH2+])c1ccc2[nH]cc([C@H](Cc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000028396078 561923051 /nfs/dbraw/zinc/92/30/51/561923051.db2.gz RXXVGNIRWRKRRT-HKBQPEDESA-N 0 1 653.768 6.557 1 0 KKAFMN C[C@@]1(C(O)=CC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 ZINC000028473818 561927483 /nfs/dbraw/zinc/92/74/83/561927483.db2.gz QDOPVBPHOQDBJS-QRVDORKDSA-N 0 1 528.733 7.347 1 0 KKAFMN O=C([O-])[C@H]1CCCC[N@H+]1CCC=C(c1sccc1COc1ccccc1)c1sccc1COc1ccccc1 ZINC000028565654 561936149 /nfs/dbraw/zinc/93/61/49/561936149.db2.gz RBLLNGZJEPMQQN-GDLZYMKVSA-N 0 1 559.753 7.729 1 0 KKAFMN C[C@@H]1CN([C@H](c2ccc3c(c2)CN(Cc2ccccc2C(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000028570782 561938958 /nfs/dbraw/zinc/93/89/58/561938958.db2.gz DVNSBOKSVWETDR-AWYDNWMNSA-N 0 1 561.726 6.290 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000028604074 561940555 /nfs/dbraw/zinc/94/05/55/561940555.db2.gz HFUSUPAIAACTTQ-WEVVVXLNSA-N 0 1 541.882 5.935 1 0 KKAFMN Cc1ccc(NC(=O)N2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000028604238 561940605 /nfs/dbraw/zinc/94/06/05/561940605.db2.gz AUHQTQNYDVYBLT-XYOKQWHBSA-N 0 1 503.474 5.451 1 0 KKAFMN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(=O)c2c(O)cc(-c3ccccc3Cl)oc1-2 ZINC000028640711 561942878 /nfs/dbraw/zinc/94/28/78/561942878.db2.gz LVTCEBCCLKRNQN-SFHVURJKSA-N 0 1 500.979 5.697 1 0 KKAFMN Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc(-c4nnn[n-]4)nc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823044 561967857 /nfs/dbraw/zinc/96/78/57/561967857.db2.gz PXZALGIVSWJEFU-JOCHJYFZSA-N 0 1 660.720 6.095 1 0 KKAFMN Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc(-c4nn[n-]n4)nc2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823044 561967859 /nfs/dbraw/zinc/96/78/59/561967859.db2.gz PXZALGIVSWJEFU-JOCHJYFZSA-N 0 1 660.720 6.095 1 0 KKAFMN CN(C)CC(=O)N1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000028825280 561970682 /nfs/dbraw/zinc/97/06/82/561970682.db2.gz KDRFRAVOXVJDLI-UHFFFAOYSA-N 0 1 592.140 5.469 1 0 KKAFMN CC(C)(C)OC(=O)N1CCC(CCNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)CC1 ZINC000028826539 561971332 /nfs/dbraw/zinc/97/13/32/561971332.db2.gz YRGWVXKOYLUADE-UHFFFAOYSA-N 0 1 625.210 5.712 1 0 KKAFMN O=C(NCCCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 ZINC000028869755 561973854 /nfs/dbraw/zinc/97/38/54/561973854.db2.gz MLUHKGHTLUYKBS-HKBQPEDESA-N 0 1 512.097 6.410 1 0 KKAFMN COc1ccccc1-c1ccc(CN(CC(=O)C(C)(C)O)C(=O)NC2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000028874143 561975057 /nfs/dbraw/zinc/97/50/57/561975057.db2.gz MPMZXEYTUKXJGY-UHFFFAOYSA-N 0 1 543.708 5.187 1 0 KKAFMN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc3ccccc3c2)cc1 ZINC000028949154 561980426 /nfs/dbraw/zinc/98/04/26/561980426.db2.gz GCTXYQMUIGPOAP-UHFFFAOYSA-N 0 1 506.602 6.512 1 0 KKAFMN CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)c2c(F)cccc2F)C3)cc2ccccc21 ZINC000028949625 561980812 /nfs/dbraw/zinc/98/08/12/561980812.db2.gz HQASURSDDJNDLH-NRFANRHFSA-N 0 1 524.589 5.815 1 0 KKAFMN O=C(CCc1ccccc1)N[C@H]1CCc2ccc(CCN3CCN(c4nsc5ccccc54)CC3)cc21 ZINC000029038667 561989176 /nfs/dbraw/zinc/98/91/76/561989176.db2.gz WLZVXPFXXASTLW-NDEPHWFRSA-N 0 1 510.707 5.397 1 0 KKAFMN COc1ccc2[nH]c(-c3ccc(OCCCCCOc4ccc(-c5nc6ccc(OC)cc6[nH]5)cc4OC)c(OC)c3)nc2c1 ZINC000029044215 561992199 /nfs/dbraw/zinc/99/21/99/561992199.db2.gz SCFXIVXVLJBHFI-UHFFFAOYSA-N 0 1 608.695 7.436 1 0 KKAFMN O=C(CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123153 561996560 /nfs/dbraw/zinc/99/65/60/561996560.db2.gz QAWCTNVPKLPJAX-UHFFFAOYSA-N 0 1 568.480 5.050 1 0 KKAFMN C[C@H]1C[N@@H+](CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)[O-])CC[C@@]1(C)c1cccc(O)c1 ZINC000029126426 561998676 /nfs/dbraw/zinc/99/86/76/561998676.db2.gz LCVBLFZMVRHDCP-OMLWRBBXSA-N 0 1 514.666 5.107 1 0 KKAFMN Nc1ncnc2nc(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126830 561999115 /nfs/dbraw/zinc/99/91/15/561999115.db2.gz CRDOKQQUTKTJRC-UHFFFAOYSA-N 0 1 527.632 5.421 1 0 KKAFMN Cc1nc2cc3c(c(C)c2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127469 561999964 /nfs/dbraw/zinc/99/99/64/561999964.db2.gz ACRMNEFOWLXFLY-UHFFFAOYSA-N 0 1 512.683 5.680 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 ZINC000029223777 562007634 /nfs/dbraw/zinc/00/76/34/562007634.db2.gz DDOOQGBORVRMMG-YTTGMZPUSA-N 0 1 621.719 5.530 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 ZINC000029334335 562014158 /nfs/dbraw/zinc/01/41/58/562014158.db2.gz AOUHAYHMZPANLU-NDEPHWFRSA-N 0 1 540.645 5.070 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000029332420 562014009 /nfs/dbraw/zinc/01/40/09/562014009.db2.gz BPMKZPMGXUABDC-PMERELPUSA-N 0 1 638.668 6.001 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000029317889 562012570 /nfs/dbraw/zinc/01/25/70/562012570.db2.gz XXQQFGMMETXGOJ-PMERELPUSA-N 0 1 622.669 6.013 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 ZINC000029317815 562012596 /nfs/dbraw/zinc/01/25/96/562012596.db2.gz SVSGFMKNOJDYEE-PMERELPUSA-N 0 1 574.747 5.916 1 0 KKAFMN CCCCCCc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)o1 ZINC000029320351 562012924 /nfs/dbraw/zinc/01/29/24/562012924.db2.gz CRWBQDZJYVFCLP-NDEPHWFRSA-N 0 1 548.709 5.526 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 ZINC000029569511 562035302 /nfs/dbraw/zinc/03/53/02/562035302.db2.gz ULQMQENCVAWTGX-YTTGMZPUSA-N 0 1 607.761 6.087 1 0 KKAFMN CCC(=O)C(CCCCCCOc1ccc(OCCCCCCC(C(=O)CC)=C(O)CC)c(C)c1)=C(O)CC ZINC000033494086 562037405 /nfs/dbraw/zinc/03/74/05/562037405.db2.gz OUVYEIREXUBORS-UHFFFAOYSA-N 0 1 544.773 7.802 1 0 KKAFMN C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c1nccc2-c1cc2ccccc2s1 ZINC000033820014 562037560 /nfs/dbraw/zinc/03/75/60/562037560.db2.gz FWQSZEXMXRIUDT-GOSISDBHSA-N 0 1 508.603 5.000 1 0 KKAFMN CCCCCc1ccc(C(=O)N(CCN(CCO)Cc2ccccc2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802997 562042376 /nfs/dbraw/zinc/04/23/76/562042376.db2.gz XWOBQOBLEKAXFV-UHFFFAOYSA-N 0 1 578.753 6.952 1 0 KKAFMN CC(C)(C)c1nc(N2CCN(CCCCn3ccc(-c4ccccc4)cc3=O)CC2)cc(C(F)(F)F)n1 ZINC000036089313 562046945 /nfs/dbraw/zinc/04/69/45/562046945.db2.gz FADJIPFJANIADX-UHFFFAOYSA-N 0 1 513.608 5.224 1 0 KKAFMN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CCC(C)C)CC3)cn2)c(F)c1 ZINC000036161600 562048783 /nfs/dbraw/zinc/04/87/83/562048783.db2.gz LZRSRWJAERMFGT-UHFFFAOYSA-N 0 1 536.623 5.229 1 0 KKAFMN CCCCc1ncc(/C=C2/C(=O)NC(=O)N2CCCC)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1 ZINC000036222424 562051659 /nfs/dbraw/zinc/05/16/59/562051659.db2.gz QWDAOLJZTCHRAW-ITYLOYPMSA-N 0 1 514.626 5.420 1 0 KKAFMN C[N@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324233 562055313 /nfs/dbraw/zinc/05/53/13/562055313.db2.gz BZPPUKJKOJHWKN-XJABCFGWSA-N 0 1 528.497 5.759 1 0 KKAFMN CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc2ncn([C@H](C)c3ccccc3)c2c(Br)c1 ZINC000036330289 562055540 /nfs/dbraw/zinc/05/55/40/562055540.db2.gz DQNOTYWXDWEBPE-GFCCVEGCSA-N 0 1 535.514 5.308 1 0 KKAFMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl)c1cccc2ccccc21 ZINC000036476116 562060947 /nfs/dbraw/zinc/06/09/47/562060947.db2.gz ASMDMTBAOYMOCC-IPHXSNPTSA-N 0 1 511.902 6.740 1 0 KKAFMN O=C([O-])[C@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000038154928 562067947 /nfs/dbraw/zinc/06/79/47/562067947.db2.gz UUQGJUFZXHHWRQ-JBOQNHBVSA-N 0 1 543.777 6.272 1 0 KKAFMN O=C([O-])[C@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000038154928 562067948 /nfs/dbraw/zinc/06/79/48/562067948.db2.gz UUQGJUFZXHHWRQ-JBOQNHBVSA-N 0 1 543.777 6.272 1 0 KKAFMN C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(NCc3ccccc3)c2[nH]1 ZINC000038157616 562069269 /nfs/dbraw/zinc/06/92/69/562069269.db2.gz JVPDXKIAAGISME-MRXNPFEDSA-N 0 1 530.982 5.450 1 0 KKAFMN FC(F)(F)c1ccc2c(c1)nccc2N[C@@H](c1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000040425088 562076602 /nfs/dbraw/zinc/07/66/02/562076602.db2.gz JZJOVKWLPXFEDD-MHZLTWQESA-N 0 1 511.975 6.941 1 0 KKAFMN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(O)(c2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000040505331 562077654 /nfs/dbraw/zinc/07/76/54/562077654.db2.gz JQQZQZXONHMQBJ-UHFFFAOYSA-N 0 1 509.593 5.593 1 0 KKAFMN COC(=O)[C@@](CCCN1CCN(Cc2ccc(F)cc2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040878175 562082457 /nfs/dbraw/zinc/08/24/57/562082457.db2.gz ITWYTIMGSRUMGF-AREMUKBSSA-N 0 1 505.472 5.253 1 0 KKAFMN COC(=O)C1CCN(CCOc2ccc([C@]3(C)c4ccc(O)cc4CCN3c3ccc(Cl)cc3)cc2)CC1 ZINC000040916329 562083990 /nfs/dbraw/zinc/08/39/90/562083990.db2.gz XIXCVRPUCLFZKK-WJOKGBTCSA-N 0 1 535.084 5.636 1 0 KKAFMN Cc1c(C(=O)NC(=O)OCc2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040943513 562085757 /nfs/dbraw/zinc/08/57/57/562085757.db2.gz SMQCNAHRMYUWNS-UHFFFAOYSA-N 0 1 514.796 6.875 1 0 KKAFMN O=C(C=C(O)C1=CCc2[nH]ccc2[C@H]1CCCCc1cccc(O)c1)CCc1ccc(O)c2c1CCCO2 ZINC000103531604 560050964 /nfs/dbraw/zinc/05/09/64/560050964.db2.gz KXUDIBHQNBFZGM-IXCJQBJRSA-N 0 1 512.626 5.837 1 0 biogenic,in-vitro KKAFMN COc1cc(CCC(O)=CC(=O)C2=CCc3[nH]ccc3[C@H]2C[C@@H]2C=Cc3c(O)cccc3CC2)ccc1O ZINC000085627050 560068993 /nfs/dbraw/zinc/06/89/93/560068993.db2.gz SDMWSXAYWFCHBM-MHBGZZOHSA-N 0 1 510.610 5.774 1 0 biogenic,in-vitro KKAFMN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000042807525 560085770 /nfs/dbraw/zinc/08/57/70/560085770.db2.gz FKHCVUFZOFEROS-MUUNZHRXSA-N 0 1 592.692 6.676 1 0 biogenic,in-vitro KKAFMN O=C([O-])CC[N@H+]1CC[C@@H]2c3ccccc3N(Cc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)[C@H]2C1 ZINC000043022159 562644974 /nfs/dbraw/zinc/64/49/74/562644974.db2.gz GMXZORXKOQRUQT-WXHMFOPNSA-N 0 1 524.064 6.711 1 0 KKAFMN Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1/C=C/n1cnc2c1ncnc2NC1CC1 ZINC000043060804 562645162 /nfs/dbraw/zinc/64/51/62/562645162.db2.gz IFMHGMRWRFDDFU-BQYQJAHWSA-N 0 1 576.627 5.360 1 0 KKAFMN C[C@H](NC(=O)c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079728 562645877 /nfs/dbraw/zinc/64/58/77/562645877.db2.gz KYIFZXJUWBRQGE-SFTDATJTSA-N 0 1 550.497 5.375 1 0 KKAFMN Cc1cc(O[C@H](CCC(F)(F)F)c2ccc(C(=O)NCc3nn[nH]n3)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000043174816 562646587 /nfs/dbraw/zinc/64/65/87/562646587.db2.gz ZQTIEFGJUPAYBC-AREMUKBSSA-N 0 1 565.640 7.174 1 0 KKAFMN Cc1cc[nH+]c(NCc2cnc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)s2)c1 ZINC000043176804 562646642 /nfs/dbraw/zinc/64/66/42/562646642.db2.gz YUBVJZGWIJZEGM-DEOSSOPVSA-N 0 1 514.651 5.477 1 0 KKAFMN COc1ccc(N(C(=O)CN2c3ccccc3C(c3ccccc3)=N[C@H](Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1 ZINC000043322951 562647776 /nfs/dbraw/zinc/64/77/76/562647776.db2.gz BZTYAYRSNPSALX-WJOKGBTCSA-N 0 1 571.681 5.808 1 0 KKAFMN COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4ccccc4Br)c3)C2)cc1OC1CCCC1 ZINC000043524205 562648938 /nfs/dbraw/zinc/64/89/38/562648938.db2.gz JGBSCKCBHLPLMS-FQEVSTJZSA-N 0 1 585.520 6.100 1 0 KKAFMN COC(=O)[C@](CCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000044406267 562656802 /nfs/dbraw/zinc/65/68/02/562656802.db2.gz CHACAHBBLAVNNH-LJAQVGFWSA-N 0 1 577.560 5.140 1 0 KKAFMN COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)Nc1ccc(-c3ccncc3)c(Cl)c1Cl)CC2 ZINC000045190779 562658533 /nfs/dbraw/zinc/65/85/33/562658533.db2.gz RGFUAKBICWXGFB-UHFFFAOYSA-N 0 1 512.441 5.410 1 0 KKAFMN Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCCc2ccc(F)cc2)n1 ZINC000045192558 562658616 /nfs/dbraw/zinc/65/86/16/562658616.db2.gz ITVWQKHHLRNAGK-SANMLTNESA-N 0 1 501.581 5.057 1 0 KKAFMN COc1ccccc1NC(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045194376 562658791 /nfs/dbraw/zinc/65/87/91/562658791.db2.gz LHJFDSBUMOYOLG-UHFFFAOYSA-N 0 1 502.496 7.568 1 0 KKAFMN O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 ZINC000045210632 562659309 /nfs/dbraw/zinc/65/93/09/562659309.db2.gz WVYXMUTZLOKKDA-UHFFFAOYSA-N 0 1 506.915 8.213 1 0 KKAFMN C[C@H](CCCCCC[C@H](C)C(=O)[O-])C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000045245915 562659747 /nfs/dbraw/zinc/65/97/47/562659747.db2.gz COZHNMYHYJDWAU-QDLABGHTSA-N 0 1 523.758 7.148 1 0 KKAFMN COc1cc2nccc(Nc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000045286738 562660196 /nfs/dbraw/zinc/66/01/96/562660196.db2.gz CUMBFVXWDJDNHR-UHFFFAOYSA-N 0 1 501.518 5.609 1 0 KKAFMN O=C1O[C@](c2ccccc2)(c2ccccn2)CN1C1CCN(Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC000045302964 562660712 /nfs/dbraw/zinc/66/07/12/562660712.db2.gz VNQUMICVOTUFIM-SSEXGKCCSA-N 0 1 513.041 5.886 1 0 KKAFMN NC(=O)c1ccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)cc1 ZINC000045338129 562661472 /nfs/dbraw/zinc/66/14/72/562661472.db2.gz IXLGBRYDJKKGTH-UHFFFAOYSA-N 0 1 500.480 6.267 1 0 KKAFMN CC(C)CC[C@H](c1ccc(C(F)(F)F)cn1)[N@H+]1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045370382 562662199 /nfs/dbraw/zinc/66/21/99/562662199.db2.gz CJPKIMTXCPNLRP-ZQMYSKGWSA-N 0 1 516.526 7.525 1 0 KKAFMN CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3CC[C@@H]21 ZINC000045371495 562662228 /nfs/dbraw/zinc/66/22/28/562662228.db2.gz DBFSWXFALPMOGP-LADGPHEKSA-N 0 1 516.856 6.931 1 0 KKAFMN C[N@@H+]1CCc2cc(Cl)c([O-])cc2[C@H]2c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3CC[C@@H]21 ZINC000045371495 562662229 /nfs/dbraw/zinc/66/22/29/562662229.db2.gz DBFSWXFALPMOGP-LADGPHEKSA-N 0 1 516.856 6.931 1 0 KKAFMN C[N@H+]1CCc2cc(Cl)c([O-])cc2[C@H]2c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3CC[C@@H]21 ZINC000045371495 562662230 /nfs/dbraw/zinc/66/22/30/562662230.db2.gz DBFSWXFALPMOGP-LADGPHEKSA-N 0 1 516.856 6.931 1 0 KKAFMN CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)c1 ZINC000048307366 562662985 /nfs/dbraw/zinc/66/29/85/562662985.db2.gz BOJUJWFZVOMCIL-UHFFFAOYSA-N 0 1 520.536 7.188 1 0 KKAFMN CN1c2ccc(OC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2[C@]2(C)CCN(CCc3ccccc3)[C@H]12 ZINC000049036989 562663604 /nfs/dbraw/zinc/66/36/04/562663604.db2.gz LUDGLDHLVCUWSA-WEZIJMHWSA-N 0 1 519.645 7.072 1 0 KKAFMN Oc1ccc2c(c1)O[C@H](c1cccc(OCCN3CCSCC3)c1)C1=C2CCOc2cc(O)ccc21 ZINC000049051701 562663751 /nfs/dbraw/zinc/66/37/51/562663751.db2.gz IYLBPELTTFJGJQ-GDLZYMKVSA-N 0 1 503.620 5.352 1 0 KKAFMN O[C@@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000049054478 562663900 /nfs/dbraw/zinc/66/39/00/562663900.db2.gz VKEKQOWZBFVSMP-POURPWNDSA-N 0 1 520.595 6.148 1 0 KKAFMN NC(=O)c1ccccc1OCC(=O)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000049604942 562665124 /nfs/dbraw/zinc/66/51/24/562665124.db2.gz QWAYUJBQVNYIAR-UHFFFAOYSA-N 0 1 530.506 6.032 1 0 KKAFMN O=C(C=Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(NC(=O)c4ccccc4NC(=O)C=Cc4ccccc4)cc3[nH]2)cc1 ZINC000049605194 562665521 /nfs/dbraw/zinc/66/55/21/562665521.db2.gz OLRUEPBCPPPQKE-MKYUKRCKSA-N 0 1 722.805 9.038 1 0 KKAFMN COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(OC)c2)CC1 ZINC000049605426 562665877 /nfs/dbraw/zinc/66/58/77/562665877.db2.gz ZVTKBCCEXNZESF-UHFFFAOYSA-N 0 1 602.950 6.149 1 0 KKAFMN CC1(CCn2c(Cn3c4ccccc4n(Cc4cc(I)c(O)c(I)c4)c3=O)nc3ccccc32)N=N1 ZINC000049605903 562666422 /nfs/dbraw/zinc/66/64/22/562666422.db2.gz QOOKQGOEABULEO-UHFFFAOYSA-N 0 1 704.310 5.736 1 0 KKAFMN COc1ccc([C@@H](CCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049677765 562668323 /nfs/dbraw/zinc/66/83/23/562668323.db2.gz XWEJKOCDJCMFCN-UFHPHHKVSA-N 0 1 674.845 5.354 1 0 KKAFMN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049678767 562668678 /nfs/dbraw/zinc/66/86/78/562668678.db2.gz PDSUGZQHFWZCJV-NEKDWFFYSA-N 0 1 614.743 5.449 1 0 KKAFMN C[C@@H](C(=O)[O-])c1cccc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000049695515 562670656 /nfs/dbraw/zinc/67/06/56/562670656.db2.gz AVNLUJALSLNPNX-XMMPIXPASA-N 0 1 596.089 8.650 1 0 KKAFMN O=C([O-])Cc1ccc2cc(CC[N@H+](Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)oc2c1 ZINC000049723272 562673155 /nfs/dbraw/zinc/67/31/55/562673155.db2.gz ZCCZMYDWILRCGU-UHFFFAOYSA-N 0 1 592.057 8.609 1 0 KKAFMN COc1cc2c(cc1OC)CN(CCCCNC(=O)c1ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc1)CC2 ZINC000049745711 562674080 /nfs/dbraw/zinc/67/40/80/562674080.db2.gz INDQZIKNVBDUJX-UHFFFAOYSA-N 0 1 556.490 5.831 1 0 KKAFMN CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCCC2)nn1 ZINC000049756144 562674861 /nfs/dbraw/zinc/67/48/61/562674861.db2.gz XBQOGPRXCCTYMI-DICHSLLOSA-N 0 1 597.657 6.957 1 0 KKAFMN Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccncc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777058 562679601 /nfs/dbraw/zinc/67/96/01/562679601.db2.gz VGAVDTDGDWNIPB-YTTGMZPUSA-N 0 1 623.867 5.973 1 0 KKAFMN COc1ccc2cc1-c1cc(ccc1OC)C(=O)[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4C2)CCN1C ZINC000049832955 562687335 /nfs/dbraw/zinc/68/73/35/562687335.db2.gz TUBUFGSPDJQCJZ-ZADIWHOSSA-N 0 1 650.772 6.686 1 0 KKAFMN O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000049852128 562688784 /nfs/dbraw/zinc/68/87/84/562688784.db2.gz ODHPFDFHGLILJV-HKBQPEDESA-N 0 1 702.273 5.781 1 0 KKAFMN O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000049852128 562688785 /nfs/dbraw/zinc/68/87/85/562688785.db2.gz ODHPFDFHGLILJV-HKBQPEDESA-N 0 1 702.273 5.781 1 0 KKAFMN O=C(CN1CCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4ccc(NC(=O)CN5CCCC5)cc4)cc3)cc2)cc1 ZINC000049872456 562690045 /nfs/dbraw/zinc/69/00/45/562690045.db2.gz BYTIJUMPLZWECI-UHFFFAOYSA-N 0 1 702.816 5.904 1 0 KKAFMN COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000049889186 562691877 /nfs/dbraw/zinc/69/18/77/562691877.db2.gz ZAPNGIWMQBMSHT-UHFFFAOYSA-N 0 1 716.793 7.042 1 0 KKAFMN CC[C@H](NC(=O)c1c2ccc(=O)cc-2[nH]c(-c2ccccc2)c1CCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000049917927 562694113 /nfs/dbraw/zinc/69/41/13/562694113.db2.gz GWKHMYPPIJIXLO-UMSFTDKQSA-N 0 1 584.764 7.243 1 0 KKAFMN O=C([O-])CC[N@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1N2Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000058590142 562700314 /nfs/dbraw/zinc/70/03/14/562700314.db2.gz QGATXJJXLZSGNF-VJESRHQESA-N 0 1 524.064 6.711 1 0 KKAFMN O=C(N[C@@H](c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061905700 562703006 /nfs/dbraw/zinc/70/30/06/562703006.db2.gz WKOVGSLPZKLPJM-VWLOTQADSA-N 0 1 518.872 6.038 3 0 KKAFMN Clc1cc(Cl)cc(Nc2ccccc2CN(C/C=C/c2ccc3c(c2)OCO3)Cc2ccccc2)c1 ZINC000061921049 562703132 /nfs/dbraw/zinc/70/31/32/562703132.db2.gz KDVPNFPCRYWYEE-RMKNXTFCSA-N 0 1 517.456 8.181 3 0 KKAFMN O=C1N(c2ccc(F)c(Cl)c2)[C@@H](c2ccccn2)C12CCN(c1nc3cc(Cl)c(F)cc3[nH]1)CC2 ZINC000062213037 562704400 /nfs/dbraw/zinc/70/44/00/562704400.db2.gz XVBZNKYJEANPDR-QFIPXVFZSA-N 0 1 514.363 5.918 1 0 KKAFMN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064448606 562705571 /nfs/dbraw/zinc/70/55/71/562705571.db2.gz FEQYKRPKYRMPLO-PMACEKPBSA-N 0 1 534.574 5.173 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCN(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)CC1 ZINC000064574045 562708770 /nfs/dbraw/zinc/70/87/70/562708770.db2.gz DSLNSSBBWLMIIQ-GUFPOKFQSA-N 0 1 534.915 5.804 1 0 KKAFMN S=C(NCCCc1cnc[nH]1)NCCCN(Cc1ccc(Cl)cc1)c1cc(-c2ccccc2)ccn1 ZINC000064715194 562709058 /nfs/dbraw/zinc/70/90/58/562709058.db2.gz CAFJRYZOASVVRQ-UHFFFAOYSA-N 0 1 519.118 5.619 1 0 KKAFMN COC(=O)c1c(Br)cc(Br)cc1OC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000066079855 562710676 /nfs/dbraw/zinc/71/06/76/562710676.db2.gz SBLGGBOZBFRLPX-UHFFFAOYSA-N 0 1 604.203 5.462 1 0 KKAFMN CC(=O)c1cccc(-c2ccc(-c3nc4c(ncc(Br)c4N4CCN(Cc5cc(C)on5)CC4)[nH]3)cc2)c1 ZINC000066100515 562711250 /nfs/dbraw/zinc/71/12/50/562711250.db2.gz YWPBJAFQNSHTDM-UHFFFAOYSA-N 0 1 571.479 5.876 1 0 KKAFMN CCCC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(OC(C)=O)c12 ZINC000066124157 562712656 /nfs/dbraw/zinc/71/26/56/562712656.db2.gz AZEWTSGNDNKKME-KKSFZXQISA-N 0 1 500.588 5.956 1 0 KKAFMN COc1ccc(-c2nc3cccc(O)c3c(=O)n2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000066124555 562712732 /nfs/dbraw/zinc/71/27/32/562712732.db2.gz XFZVGZXCISTQLD-UHFFFAOYSA-N 0 1 521.573 5.363 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066128618 562712745 /nfs/dbraw/zinc/71/27/45/562712745.db2.gz QILUDTBVFILERX-BATDWUPUSA-N 0 1 624.562 5.285 3 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](CN(C)C(=O)Nc2cccc4ccccc42)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066156375 562713751 /nfs/dbraw/zinc/71/37/51/562713751.db2.gz UTNPVUKYSXCIMW-OVMXQCPESA-N 0 1 630.767 5.333 3 0 KKAFMN Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2C(=O)[O-])CC1 ZINC000071281754 562716699 /nfs/dbraw/zinc/71/66/99/562716699.db2.gz WFMHXXDLSMMIGB-ULJKERAFSA-N 0 1 576.741 6.475 1 0 KKAFMN COc1ccc(CC(=O)c2c(OC)cc(OC)c(Cc3c(OC)cc(OC)c(C(=O)Cc4ccc(OC)cc4)c3O)c2O)cc1 ZINC000071281721 562716727 /nfs/dbraw/zinc/71/67/27/562716727.db2.gz KALOGVDHEQOBMU-UHFFFAOYSA-N 0 1 616.663 5.591 1 0 KKAFMN C[C@@]12CC[C@H]([C@@]3(C)CCCC(C)(C)O3)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)[C@H]4CCCN4)C(C)(C)[C@@H]3CC[C@]12C ZINC000071295856 562717383 /nfs/dbraw/zinc/71/73/83/562717383.db2.gz UCZGQUVPWMSBFJ-ZVIQRKHGSA-N 0 1 557.860 7.044 1 0 KKAFMN C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@H](Oc2cccc(Cl)n2)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000071318501 562718536 /nfs/dbraw/zinc/71/85/36/562718536.db2.gz GWAWCEXQGCBEJE-DNOBIOAJSA-N 0 1 626.006 5.881 1 0 KKAFMN CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000071331590 562719298 /nfs/dbraw/zinc/71/92/98/562719298.db2.gz WLNIVNVJKHJSOQ-SUUHDTSPSA-N 0 1 577.899 7.421 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000072122090 562724353 /nfs/dbraw/zinc/72/43/53/562724353.db2.gz CHFYKRHHVBHPRB-VBEKBXFHSA-N 0 1 685.693 7.565 3 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccc(O)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072138125 562728664 /nfs/dbraw/zinc/72/86/64/562728664.db2.gz DXNHWVNJBJSZGC-BURCIIJTSA-N 0 1 541.692 5.041 3 0 KKAFMN Cc1cccnc1[C@H](NC(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC000072141398 562729373 /nfs/dbraw/zinc/72/93/73/562729373.db2.gz RBEJTLCACQCGRS-AREMUKBSSA-N 0 1 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/nfs/dbraw/zinc/76/80/98/562768098.db2.gz CGLNLVFPHXEQAP-VXLXPWSCSA-N 0 1 653.529 7.008 1 0 KKAFMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095571125 562768764 /nfs/dbraw/zinc/76/87/64/562768764.db2.gz RFHYGNYQOWNNBL-LFINAOHFSA-N 0 1 736.759 6.730 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095571103 562768774 /nfs/dbraw/zinc/76/87/74/562768774.db2.gz PKQAAOKAAVIVOG-UBWLVADZSA-N 0 1 694.789 5.246 1 0 KKAFMN CN1CCN(c2ccc(Nc3ncc4nc(Nc5cccc(C(=O)Nc6ccc(Cl)cc6)c5)n(C5CCCC5)c4n3)cc2)CC1 ZINC000095574448 562769976 /nfs/dbraw/zinc/76/99/76/562769976.db2.gz RQHGBBZPUPNVMV-UHFFFAOYSA-N 0 1 622.177 7.086 1 0 KKAFMN CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccc(Br)cc5)n(C5CCCC5)c4n3)cc2)CC1 ZINC000095574540 562770021 /nfs/dbraw/zinc/77/00/21/562770021.db2.gz UOHSMAGUHRQBDM-UHFFFAOYSA-N 0 1 547.505 5.943 1 0 KKAFMN 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CCCCCCOc1ccc(N=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2)[C@H](C)CCCCC)cc1 ZINC000103216107 562817084 /nfs/dbraw/zinc/81/70/84/562817084.db2.gz YJXKLAZIJNVASR-MUUNZHRXSA-N 0 1 606.848 8.775 1 0 KKAFMN NC(=O)[C@]1(c2cc(F)cc(F)n2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225823 562817759 /nfs/dbraw/zinc/81/77/59/562817759.db2.gz DDPAKFQDERXQHD-KQESFQHQSA-N 0 1 502.392 5.806 1 0 KKAFMN COC(=O)N[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103229889 562818107 /nfs/dbraw/zinc/81/81/07/562818107.db2.gz QUIALWNBYZWUGD-ISRMLTCMSA-N 0 1 543.922 7.701 1 0 KKAFMN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CCN(Cc1ccc(O)cc1)C2 ZINC000103239105 562819289 /nfs/dbraw/zinc/81/92/89/562819289.db2.gz WVPLACJWBZEWJI-UHFFFAOYSA-N 0 1 550.537 6.680 1 0 KKAFMN Cc1ccc(CN(CCO)CCO)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264971 562822080 /nfs/dbraw/zinc/82/20/80/562822080.db2.gz HOLAFAKATHLDDJ-UHFFFAOYSA-N 0 1 595.622 5.442 1 0 KKAFMN CC[C@H]1CN(c2ncc(-c3ncon3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266158 562822215 /nfs/dbraw/zinc/82/22/15/562822215.db2.gz BDSGFLHMKUKCCT-FQEVSTJZSA-N 0 1 519.452 5.143 1 0 KKAFMN Cc1cc([C@@H](NC(=O)[C@@H]2CC[C@@H](N3CCOCC3)C[C@H]2c2ccc(Br)cc2)c2ccc(Cl)cc2)ccn1 ZINC000103283336 562823657 /nfs/dbraw/zinc/82/36/57/562823657.db2.gz UGTLPOPMRFSDFF-GKQHHHCTSA-N 0 1 582.970 6.296 1 0 KKAFMN Cn1c(=O)cc(-c2ccncc2F)nc1N1CCN[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)cc2)C1 ZINC000113089178 562826118 /nfs/dbraw/zinc/82/61/18/562826118.db2.gz QFODJIFXXBKMIN-XMMPIXPASA-N 0 1 510.400 5.106 1 0 KKAFMN Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)c4ccc5c(N)nccc5c4)[nH]c3Cl)ccc12 ZINC000113726455 562826745 /nfs/dbraw/zinc/82/67/45/562826745.db2.gz KWHJKKRXFUNBAJ-QFIPXVFZSA-N 0 1 523.000 5.033 1 0 KKAFMN COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(Nc4ccc(CN(C)C)cc4)c3c2)cc(Cl)c1O ZINC000114037075 562827104 /nfs/dbraw/zinc/82/71/04/562827104.db2.gz UEWITZAKAVQEQW-UHFFFAOYSA-N 0 1 512.031 5.478 1 0 KKAFMN CCOc1cc(C[N@H+]2CC[C@@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)C2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114357180 562828184 /nfs/dbraw/zinc/82/81/84/562828184.db2.gz WQVFDDFUHKIRJS-PMERELPUSA-N 0 1 534.584 5.590 1 0 KKAFMN Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(N3CCN(C)CC3)cn2)c(=O)n(C)c1 ZINC000115853289 562829101 /nfs/dbraw/zinc/82/91/01/562829101.db2.gz HFTNEZGDPAHPNU-UHFFFAOYSA-N 0 1 564.734 5.801 1 0 KKAFMN CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCc1nn[nH]n1)C(=O)C2 ZINC000118790536 562830587 /nfs/dbraw/zinc/83/05/87/562830587.db2.gz FOCZOWVAISYOAB-NDEPHWFRSA-N 0 1 534.016 5.217 1 0 in-vitro KKAFMN C[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)C[N@H+](CC(=O)[O-])CC4)no2)cc1C(F)(F)F ZINC000118855139 562830742 /nfs/dbraw/zinc/83/07/42/562830742.db2.gz RXXGDFABSRPZNI-MRXNPFEDSA-N 0 1 500.521 5.244 1 0 KKAFMN C[C@@H]1CCCC[N@H+]1CCCNc1ncc2c3ccc(C(=O)[O-])cc3nc(Nc3ccc(F)c(Cl)c3)c2n1 ZINC000140098535 562832900 /nfs/dbraw/zinc/83/29/00/562832900.db2.gz MNFAZAUARUPSEG-MRXNPFEDSA-N 0 1 523.012 6.089 1 0 KKAFMN CC(C)[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000140235431 562832938 /nfs/dbraw/zinc/83/29/38/562832938.db2.gz WXHNDUQKMPKVNA-XMEWBWSMSA-N 0 1 610.590 6.398 1 0 KKAFMN Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCC[C@H]3NC(=O)C2(NC(=O)C(F)(F)F)CC2)no1 ZINC000142247926 562834051 /nfs/dbraw/zinc/83/40/51/562834051.db2.gz IAWVOODBIZSXKE-LJQANCHMSA-N 0 1 536.913 5.209 1 0 KKAFMN Cc1cc(C)c(C(=O)N[C@H](Cc2ccc(N3CCC(CNc4[nH]c5ccccc5[nH+]4)CC3)cc2)C(=O)[O-])c(C)c1 ZINC000146431929 562838521 /nfs/dbraw/zinc/83/85/21/562838521.db2.gz CJQBRSWCDQZXGS-MUUNZHRXSA-N 0 1 539.680 5.242 1 0 KKAFMN Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(N3CCC(CNc4[nH]c5ccccc5[nH+]4)CC3)cc2)C(=O)[O-])c(C)c1 ZINC000146431739 562838526 /nfs/dbraw/zinc/83/85/26/562838526.db2.gz CJQBRSWCDQZXGS-NDEPHWFRSA-N 0 1 539.680 5.242 1 0 KKAFMN CO[C@@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2c(F)c(C(F)F)nn2C)CC3)CC1(C)C ZINC000146430657 562838543 /nfs/dbraw/zinc/83/85/43/562838543.db2.gz XSKVNFFIXUZUAU-HXUWFJFHSA-N 0 1 568.648 5.261 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(C2CCCCC2)=NC12CCC(C(C)(C)C)CC2 ZINC000146462890 562838565 /nfs/dbraw/zinc/83/85/65/562838565.db2.gz PTRTYSISBCSORS-XSUYSUAISA-N 0 1 589.829 6.793 1 0 KKAFMN CO[C@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2c(F)c(C4CC4)nn2C)CC3)CC1(C)C ZINC000146974342 562838975 /nfs/dbraw/zinc/83/89/75/562838975.db2.gz VCELVDYSEAYQIS-QHCPKHFHSA-N 0 1 558.706 5.201 1 0 KKAFMN CCN(c1cc(-c2ccc(CN3CC[C@@H](F)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000147060533 562839053 /nfs/dbraw/zinc/83/90/53/562839053.db2.gz KSWLTLQBXNTQPH-MUUNZHRXSA-N 0 1 574.741 5.446 1 0 KKAFMN CC(C)C1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 ZINC000147355998 562839292 /nfs/dbraw/zinc/83/92/92/562839292.db2.gz UDQQEELCEYXDFO-IZOCZUFSSA-N 0 1 638.644 7.178 1 0 KKAFMN C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3NC3CCOCC3)c2c1)c1cc(F)cc(F)c1 ZINC000148687049 562841668 /nfs/dbraw/zinc/84/16/68/562841668.db2.gz DPQSQXGBMAXUAP-HXUWFJFHSA-N 0 1 574.676 5.588 1 0 KKAFMN CCO[C@@H]1CCN(c2nc(-c3c4c(C)[nH]nc4ccc3C)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C ZINC000149132384 562842174 /nfs/dbraw/zinc/84/21/74/562842174.db2.gz FWYAYCLRIQAQJX-XMMPIXPASA-N 0 1 589.188 6.105 1 0 KKAFMN CO[C@@H]1CCN(c2nc(-c3c4c(ccc3C)n[nH]c4C)nc3c2CN(c2cc(C4(C)COC4)ccc2C)CC3)[C@H](C)C1 ZINC000149146068 562842256 /nfs/dbraw/zinc/84/22/56/562842256.db2.gz LMVFUJUTVNNTLM-RCZVLFRGSA-N 0 1 566.750 5.799 1 0 KKAFMN COc1ccc(-c2nc(C(=O)N3CCN(CCCCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)CC3)c3ccccn32)cc1 ZINC000150523293 562843642 /nfs/dbraw/zinc/84/36/42/562843642.db2.gz WSVWUKOWXQBALB-NDEPHWFRSA-N 0 1 664.807 5.736 1 0 KKAFMN COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6Cl)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000150537529 562844011 /nfs/dbraw/zinc/84/40/11/562844011.db2.gz XDGDPJLHUMZQBN-QLKHQFKLSA-N 0 1 884.505 8.402 1 0 KKAFMN COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6Cl)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000150537532 562844016 /nfs/dbraw/zinc/84/40/16/562844016.db2.gz XDGDPJLHUMZQBN-IKCXEYKWSA-N 0 1 884.505 8.402 1 0 KKAFMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000150546471 562844456 /nfs/dbraw/zinc/84/44/56/562844456.db2.gz UKVWJVFYNZGIGE-UHFFFAOYSA-N 0 1 645.785 6.210 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584703 562845753 /nfs/dbraw/zinc/84/57/53/562845753.db2.gz NVFGXEZAWHBUBK-DYKQPOOOSA-N 0 1 757.877 5.958 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585604 562845781 /nfs/dbraw/zinc/84/57/81/562845781.db2.gz JWXUCBMYUIXWKS-GOJCVTOHSA-N 0 1 759.868 6.392 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586639 562845878 /nfs/dbraw/zinc/84/58/78/562845878.db2.gz OBYMCAPFENXWIY-PZSMLTKBSA-N 0 1 810.768 7.560 1 0 KKAFMN Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588311 562845988 /nfs/dbraw/zinc/84/59/88/562845988.db2.gz IZLDOWNQXOSBQR-GOJCVTOHSA-N 0 1 820.774 7.015 1 0 KKAFMN COc1ccc([C@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588786 562846041 /nfs/dbraw/zinc/84/60/41/562846041.db2.gz POYPFFFZHMNIBL-MMEOBGCCSA-N 0 1 771.904 6.261 1 0 KKAFMN CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc3n1C2 ZINC000150598307 562846825 /nfs/dbraw/zinc/84/68/25/562846825.db2.gz MTTZZZXOFXUQFU-GHJADWOBSA-N 0 1 673.880 5.083 1 0 KKAFMN CN1CCN(c2cc(F)ccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606251 562847856 /nfs/dbraw/zinc/84/78/56/562847856.db2.gz JQVJIZRMTCKEHP-FJQKOURKSA-N 0 1 664.892 5.428 1 0 KKAFMN CCc1ccc(N(C(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)c2cc(C(F)(F)F)cc3c2cccc3S(=O)(=O)Nc2ccc(S(=O)(=O)CC)cc2)cc1 ZINC000150607858 562848121 /nfs/dbraw/zinc/84/81/21/562848121.db2.gz BXMCZUYKWNEWHZ-FYJGNVAPSA-N 0 1 808.853 8.244 1 0 KKAFMN Cc1[nH]nc2nc(Nc3cc(C)c(C4CCN(C(=O)CN(C)C)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000162992192 562849305 /nfs/dbraw/zinc/84/93/05/562849305.db2.gz RSVWOZLWVMLSBI-UHFFFAOYSA-N 0 1 662.861 5.694 1 0 KKAFMN CCN1CCN(c2ccc(Nc3cc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CC(C)(C)C7)c4CO)cn(C)c3=O)nc2)CC1 ZINC000164271067 562849588 /nfs/dbraw/zinc/84/95/88/562849588.db2.gz YTPKKLUIGBUQST-UHFFFAOYSA-N 0 1 656.828 5.353 1 0 KKAFMN Cc1[nH]nc2cc(CN3C(=O)N(Cc4cccc(N)c4)[C@H](Cc4ccccc4)[C@@H](O)[C@@H]3CCc3ccccc3)ccc12 ZINC000169301283 562852915 /nfs/dbraw/zinc/85/29/15/562852915.db2.gz VKSMOUZOXZTHNT-GMTSZFNJSA-N 0 1 559.714 5.865 1 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000169341861 562860903 /nfs/dbraw/zinc/86/09/03/562860903.db2.gz AYDDINMYDHOBQX-UHFFFAOYSA-N 0 1 533.553 6.070 1 0 KKAFMN CC(C)c1ccc(-c2nc3c(s2)CN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cc1 ZINC000169343642 562861213 /nfs/dbraw/zinc/86/12/13/562861213.db2.gz FAHHQUTXDREWOP-DNOBIOAJSA-N 0 1 509.626 5.138 1 0 KKAFMN C[C@@H](N1CCc2sc(-c3ccc(Cl)cc3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344446 562861335 /nfs/dbraw/zinc/86/13/35/562861335.db2.gz BKWFKRJIKWEUSE-PUAOIOHZSA-N 0 1 501.002 5.273 1 0 KKAFMN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc(NS(=O)(=O)c3ccc(F)cc3)c2F)n1 ZINC000169694674 562865557 /nfs/dbraw/zinc/86/55/57/562865557.db2.gz AFASZXUNTTVSQE-AWEZNQCLSA-N 0 1 618.066 5.300 1 0 KKAFMN CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(N4CCC(F)CC4)c(C(=O)NCC(F)(F)F)cc3[nH]2)c1Cl ZINC000169700879 562867733 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/nfs/dbraw/zinc/90/67/54/562906754.db2.gz PDTFVEVNPHTRLA-FHPVIJFVSA-N 0 1 648.749 7.671 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)[C@H](C)O)nc5ccc4c3)cc2)c[nH]1)C(C)C ZINC000653696862 562907059 /nfs/dbraw/zinc/90/70/59/562907059.db2.gz MTMFJHGINRHSAI-PFTJVURESA-N 0 1 809.013 6.054 1 0 KKAFMN COC(=O)[C@H](CC(C)C)N[P@@](=O)(Oc1ccccc1)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000653710254 562908070 /nfs/dbraw/zinc/90/80/70/562908070.db2.gz HHXVVFZSAPFLCP-ONHHHMAZSA-N 0 1 537.505 5.909 1 0 KKAFMN COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)C(C)C ZINC000653710321 562908135 /nfs/dbraw/zinc/90/81/35/562908135.db2.gz VMFPTASZMSMPND-KJICVINHSA-N 0 1 523.478 5.519 1 0 KKAFMN COc1ccc(Cc2nc(SCCOc3ccc(Br)cc3)[nH]c(=O)c2I)cc1OC ZINC000653714191 562908345 /nfs/dbraw/zinc/90/83/45/562908345.db2.gz OQCMAEVCNADXCL-UHFFFAOYSA-N 0 1 603.276 5.328 1 0 KKAFMN Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)cc2)cc1Cl ZINC000653716028 562908483 /nfs/dbraw/zinc/90/84/83/562908483.db2.gz VRLOQYKKBMKSEG-UHFFFAOYSA-N 0 1 501.052 5.045 1 0 KKAFMN CCOC(=O)c1c(-c2ccccc2)cn2c1c(-c1ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc1)nc1ccccc12 ZINC000653727947 562909285 /nfs/dbraw/zinc/90/92/85/562909285.db2.gz XBHGFRWXQDEDAF-UHFFFAOYSA-N 0 1 621.741 7.891 1 0 KKAFMN Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(C[NH+](C)C)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653752901 562910780 /nfs/dbraw/zinc/91/07/80/562910780.db2.gz KPQVAMQEWISVAQ-UHFFFAOYSA-N 0 1 517.629 6.530 1 0 KKAFMN O=C(c1ccc(O)cc1[O-])N(Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2nc(Cl)nc3[nH]ccc32)cc1 ZINC000653767525 562911653 /nfs/dbraw/zinc/91/16/53/562911653.db2.gz WWZIUIJGYUPBNK-UHFFFAOYSA-N 0 1 554.050 6.132 1 0 KKAFMN Cc1ccc2occ(CN(C)CCN(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2c1 ZINC000653786029 562912405 /nfs/dbraw/zinc/91/24/05/562912405.db2.gz WWKLYGMPPWLCEC-UHFFFAOYSA-N 0 1 533.594 6.628 1 0 KKAFMN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc32)cc1Cl ZINC000653792950 562912765 /nfs/dbraw/zinc/91/27/65/562912765.db2.gz GMCUDVAXOWQRGR-UHFFFAOYSA-N 0 1 532.048 5.427 1 0 KKAFMN CN1CCN(Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5cccc(C(F)(F)F)c5)c4c3)cc2)CC1 ZINC000653793021 562912786 /nfs/dbraw/zinc/91/27/86/562912786.db2.gz WAITURAKXSMTEB-UHFFFAOYSA-N 0 1 535.574 5.784 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc(-c2ccc(-c3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4c3)cc2)c[nH]1)C(C)C ZINC000653801594 562913422 /nfs/dbraw/zinc/91/34/22/562913422.db2.gz HRQWOAUKKZBJRY-YRCZKMHPSA-N 0 1 756.981 6.176 1 0 KKAFMN COc1cccc(F)c1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653827920 562914441 /nfs/dbraw/zinc/91/44/41/562914441.db2.gz LQTHZPAVMWHXNE-UHFFFAOYSA-N 0 1 541.768 5.627 1 0 KKAFMN COc1cccc(C)c1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653827890 562914451 /nfs/dbraw/zinc/91/44/51/562914451.db2.gz ALGFDKMVUIAXDL-UHFFFAOYSA-N 0 1 537.805 5.796 1 0 KKAFMN C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653829435 562914496 /nfs/dbraw/zinc/91/44/96/562914496.db2.gz FOWSCFNFJFQSQR-OAHLLOKOSA-N 0 1 507.425 6.938 1 0 KKAFMN COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccc(Cl)s2)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837794 562914767 /nfs/dbraw/zinc/91/47/67/562914767.db2.gz BYTXZHJSNJVZMI-DWZXRANWSA-N 0 1 691.250 6.113 1 0 KKAFMN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(O)c(OC)cc3cc[n+](C)c(c31)C2 ZINC000085506031 565130356 /nfs/dbraw/zinc/13/03/56/565130356.db2.gz JBCHKQLKJGBYDT-MUUNZHRXSA-O 0 1 605.711 6.656 1 0 biogenic,in-vitro KKAFMN COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3N(C)CC2)CCN1C ZINC000085508975 565133023 /nfs/dbraw/zinc/13/30/23/565133023.db2.gz DPLLCJFNXPKFPB-URLMMPGGSA-N 0 1 620.746 7.046 1 0 biogenic,in-vitro KKAFMN COc1cc([C@H]2Oc3c(ccc4c3C[C@@H](CCO)c3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cccc(CO)c2)cc1O ZINC000085568405 565143716 /nfs/dbraw/zinc/14/37/16/565143716.db2.gz HUIUMLRJCZESMK-DHDSBOOSSA-N 0 1 669.771 5.928 1 0 biogenic,in-vitro KKAFMN COc1cc2c(cc1O)[C@H]1C[N@@H+](C)[C@@H]2c2cc(OC)c(OC)c(Cc3cc4c(cc3OC)CC[NH+](C)[C@H]4Cc3ccc(O)cc3)c2C1 ZINC000095485889 565173546 /nfs/dbraw/zinc/17/35/46/565173546.db2.gz MPVKUZABYUVRAI-NSQYKDBYSA-N 0 1 636.789 6.169 1 0 biogenic,in-vitro KKAFMN O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(Nc3[nH]c4ccccc4[nH+]3)cc2)c2ccccc21 ZINC000001493845 561676511 /nfs/dbraw/zinc/67/65/11/561676511.db2.gz CBJXBILJNVPTJT-VWLOTQADSA-N 0 1 545.599 5.190 1 0 KKAFMN CN(CCNC(=O)c1c[nH]c2c1ccc1ccccc21)CCNC(=O)c1c[nH]c2c1ccc1ccccc21 ZINC000001863088 561679942 /nfs/dbraw/zinc/67/99/42/561679942.db2.gz VROFFYZWONRMLJ-UHFFFAOYSA-N 0 1 503.606 5.047 3 0 KKAFMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3ccoc3C(C)C)cc2)cc1OC ZINC000003787682 561682436 /nfs/dbraw/zinc/68/24/36/561682436.db2.gz NUNWHRUPOCOTJZ-UHFFFAOYSA-N 0 1 501.645 5.196 1 0 KKAFMN COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1OC ZINC000003915038 561684652 /nfs/dbraw/zinc/68/46/52/561684652.db2.gz GJEPQFFTPWRSOJ-UHFFFAOYSA-N 0 1 580.747 5.865 1 0 KKAFMN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(Cl)c2)CC1 ZINC000003916181 561685019 /nfs/dbraw/zinc/68/50/19/561685019.db2.gz KDZIBHRPMCHQOB-WJOKGBTCSA-N 0 1 631.260 5.225 1 0 KKAFMN Cc1ccccc1C(NC(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OCCOC(C)C)cc1)c1ccccc1C ZINC000003981332 561692555 /nfs/dbraw/zinc/69/25/55/561692555.db2.gz CMTKCIMTAINHTK-OMETZTOSSA-N 0 1 664.799 6.583 1 0 KKAFMN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCc5nc6ccc(C)cc6[nH]5)[C@@]4(C)CC[C@@H]32)C1 ZINC000005542959 561696374 /nfs/dbraw/zinc/69/63/74/561696374.db2.gz JRIXXSPBRNQPKM-RINFWTJJSA-N 0 1 504.759 8.031 1 0 KKAFMN CC(C)=CCc1c2c(c(=O)c3c(O)c4c(oc1-3)-c1c3c(c(O)cc1O)OC(C)(C)[C@H]3C4)C=CC(C)(C)O2 ZINC000013373231 561711639 /nfs/dbraw/zinc/71/16/39/561711639.db2.gz CYONWSIQFYQFOS-KRWDZBQOSA-N 0 1 502.563 6.080 1 0 endogenous,in-man KKAFMN CC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc13)-c1c3c(c(O)cc1O)OC(C)(C)[C@H]3C4)C=CC(C)(C)O2 ZINC000013373231 561711641 /nfs/dbraw/zinc/71/16/41/561711641.db2.gz CYONWSIQFYQFOS-KRWDZBQOSA-N 0 1 502.563 6.080 1 0 endogenous,in-man KKAFMN O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(-c2cccc(Nc3[nH]c4ccccc4[nH+]3)c2)c1)c1ccccc1 ZINC000013436754 561711977 /nfs/dbraw/zinc/71/19/77/561711977.db2.gz CNEKZXJTDXCVRA-AREMUKBSSA-N 0 1 512.591 5.468 1 0 KKAFMN CNC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475867 561714752 /nfs/dbraw/zinc/71/47/52/561714752.db2.gz NHUABRNOAIQQFT-UHFFFAOYSA-N 0 1 504.606 5.293 1 0 KKAFMN Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCC2 ZINC000013489491 561715891 /nfs/dbraw/zinc/71/58/91/561715891.db2.gz JBTVOWMPTOMYFD-LJAQVGFWSA-N 0 1 515.444 5.906 1 0 KKAFMN NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013559602 561719602 /nfs/dbraw/zinc/71/96/02/561719602.db2.gz OCQZYGJWLHVJRD-UHFFFAOYSA-N 0 1 503.446 6.328 1 0 KKAFMN Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12 ZINC000013587843 561720905 /nfs/dbraw/zinc/72/09/05/561720905.db2.gz HGDNILFTURGNIL-SANMLTNESA-N 0 1 500.393 5.235 1 0 KKAFMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1c2ccc(C(=O)[O-])cc2c(C2CCCCC2)c1-c1ccccc1 ZINC000013646625 561722687 /nfs/dbraw/zinc/72/26/87/561722687.db2.gz OOBFRGCZAQWSQO-QFIPXVFZSA-N 0 1 501.671 5.854 1 0 KKAFMN C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744234 561726600 /nfs/dbraw/zinc/72/66/00/561726600.db2.gz MSYTWGRTZFXVLE-GAJHUEQPSA-N 0 1 510.631 5.398 1 0 KKAFMN COc1cc2c(cc1OC)CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2 ZINC000013781690 561729470 /nfs/dbraw/zinc/72/94/70/561729470.db2.gz QQVFLDPVNBJVOR-GDLZYMKVSA-N 0 1 540.770 6.027 1 0 KKAFMN CN(C)CC(=O)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000013781993 561729575 /nfs/dbraw/zinc/72/95/75/561729575.db2.gz XWPPLQPKHYHHLH-UHFFFAOYSA-N 0 1 502.499 5.363 1 0 KKAFMN O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000013860003 561734449 /nfs/dbraw/zinc/73/44/49/561734449.db2.gz RHNOFZVTGNOXAN-ZTFYXODMSA-N 0 1 527.668 7.009 1 0 KKAFMN CC[C@H](C)c1nc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)[nH]c1=O ZINC000014957934 561748138 /nfs/dbraw/zinc/74/81/38/561748138.db2.gz CROIFEYJWRGEQT-QFIPXVFZSA-N 0 1 533.676 6.098 1 0 KKAFMN CC(C)N1CCN(c2nc(-c3ccc(Cl)cc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000014962967 561748672 /nfs/dbraw/zinc/74/86/72/561748672.db2.gz XOKLRIBOHSHHOV-UHFFFAOYSA-N 0 1 566.320 6.649 1 0 KKAFMN CCNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl ZINC000014963215 561748974 /nfs/dbraw/zinc/74/89/74/561748974.db2.gz MMBDVBGJNUJKOG-UHFFFAOYSA-N 0 1 579.897 6.293 1 0 KKAFMN Cc1cccc(C)c1OC(=O)N(c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)n1)c1ccc(F)cc1OC(C)C ZINC000014965414 561749627 /nfs/dbraw/zinc/74/96/27/561749627.db2.gz DUPIDHLQYAARAM-UHFFFAOYSA-N 0 1 584.696 6.852 1 0 KKAFMN O[C@@H](CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000022032967 561758895 /nfs/dbraw/zinc/75/88/95/561758895.db2.gz DEEUPPNPQSCODX-MHZLTWQESA-N 0 1 509.488 5.296 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000025419131 561762586 /nfs/dbraw/zinc/76/25/86/561762586.db2.gz PSNUXVHTFCBHQG-LJAQVGFWSA-N 0 1 592.693 5.817 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 ZINC000025421652 561762731 /nfs/dbraw/zinc/76/27/31/561762731.db2.gz LJHFZRFLGDYKHF-LJAQVGFWSA-N 0 1 624.710 6.557 1 0 KKAFMN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc([S@](C)=O)c(=O)nc1SCc1ccc(F)cc1 ZINC000026007845 561765762 /nfs/dbraw/zinc/76/57/62/561765762.db2.gz XHRXIZZVBGIHEP-QZNUWAOFSA-N 0 1 688.813 6.469 1 0 KKAFMN CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)[N-]c4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 ZINC000026146296 561767180 /nfs/dbraw/zinc/76/71/80/561767180.db2.gz HOQQTCAAVAEYCQ-YTTGMZPUSA-N 0 1 612.821 6.836 1 0 KKAFMN CCCC(=O)Nc1ccc(-c2cc3n(c2CN(C)CCc2ccccn2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026272149 561777444 /nfs/dbraw/zinc/77/74/44/561777444.db2.gz FYVPNPLKRVWBFI-UHFFFAOYSA-N 0 1 665.810 7.109 1 0 KKAFMN C=C1N=C(C)C(C(=O)OC)[C@H](c2ccc3nc(-c4ccc(OC)cc4)n(Cc4ccc(OC)cc4)c3c2)C1C(=O)OC ZINC000026379027 561782989 /nfs/dbraw/zinc/78/29/89/561782989.db2.gz HIIKLNRXOPRDDM-SFJQQJTMSA-N 0 1 567.642 6.190 1 0 KKAFMN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026389528 561785310 /nfs/dbraw/zinc/78/53/10/561785310.db2.gz ARHFVLWSFVICTP-SLPAIBBYSA-N 0 1 735.778 6.111 1 0 KKAFMN COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(Br)cccc67)CC5)CC4)OCCO3)cc2)cc1 ZINC000026398515 561787600 /nfs/dbraw/zinc/78/76/00/561787600.db2.gz VLDBDGASMUQFIR-UHFFFAOYSA-N 0 1 719.698 6.660 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000026578605 561803517 /nfs/dbraw/zinc/80/35/17/561803517.db2.gz QTIDZFUSYXAXHM-VLAOEWOHSA-N 0 1 597.655 6.004 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccsc1 ZINC000026578935 561803873 /nfs/dbraw/zinc/80/38/73/561803873.db2.gz DFFXDKRXIFQUQA-PQZOHRHNSA-N 0 1 597.655 6.004 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2[nH]ccc2c1 ZINC000026578892 561803903 /nfs/dbraw/zinc/80/39/03/561803903.db2.gz UQMQSJFZKTWCCK-MMVPYHRJSA-N 0 1 630.663 6.424 1 0 KKAFMN CCN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026579366 561804511 /nfs/dbraw/zinc/80/45/11/561804511.db2.gz JHFSXSQRPYGVML-MYCMVYEHSA-N 0 1 605.653 6.333 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl ZINC000026579599 561805004 /nfs/dbraw/zinc/80/50/04/561805004.db2.gz HMEFFWIAISUKDO-HHSLBVOYSA-N 0 1 626.071 6.596 1 0 KKAFMN CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)[C@](C)(Cc2n[nH]c3ccccc32)C1=O)c1ccccc1 ZINC000026579773 561805239 /nfs/dbraw/zinc/80/52/39/561805239.db2.gz XTYJISWOPRQVIJ-PGUFJCEWSA-N 0 1 571.681 6.265 1 0 KKAFMN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 ZINC000026580041 561805496 /nfs/dbraw/zinc/80/54/96/561805496.db2.gz BEJZBMDINMSNEG-FPHJQGEJSA-N 0 1 597.674 6.216 1 0 KKAFMN CC(C)N1CCN(CCN2CCN([C@H]3C[C@H](c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O ZINC000026669896 561812011 /nfs/dbraw/zinc/81/20/11/561812011.db2.gz XDVMQRQYTNBNKW-RSXGOPAZSA-N 0 1 518.599 5.185 1 0 KKAFMN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2nccc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000026716258 561814162 /nfs/dbraw/zinc/81/41/62/561814162.db2.gz AGPJNLXSJLVUTM-IBGZPJMESA-N 0 1 513.088 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626.754 5.711 1 0 KKAFMN COc1cccc(-c2cc(CN3[C@@H]4CC[C@H]3CN(Cc3ccnc(-c5cccc(OC)c5)c3)C4)ccn2)c1 ZINC000028707555 561950127 /nfs/dbraw/zinc/95/01/27/561950127.db2.gz MUSWRKUJYWYWJO-HNRBIFIRSA-N 0 1 506.650 5.677 1 0 KKAFMN CC(C)N1CCN(C(=O)CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000028713463 561954088 /nfs/dbraw/zinc/95/40/88/561954088.db2.gz BRGWNGLOWPEQOP-MVJLNBOHSA-N 0 1 731.816 5.509 1 0 KKAFMN CCCCc1nc2ccc(C3=NN(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)C(=O)C[C@H]3C)cc2[nH]1 ZINC000028757877 561957180 /nfs/dbraw/zinc/95/71/80/561957180.db2.gz MCDTVGVGWHNVSX-LJQANCHMSA-N 0 1 518.625 5.525 1 0 KKAFMN CC(=O)Nc1cccc(Cn2c3ccccc3c3c2[C@@H]2Oc4c5c(ccc4O)C[C@H]4[N@@H+](CC6CC6)CC[C@]52[C@@]4(O)C3)c1 ZINC000028762894 561958597 /nfs/dbraw/zinc/95/85/97/561958597.db2.gz CNAFKVWPQYKEEW-OGICNVKRSA-N 0 1 561.682 5.053 1 0 KKAFMN O=C(NCCCCN1CCC(=C2c3ccsc3C(=O)Cc3ccccc32)CC1)c1ccc2ccccc2c1 ZINC000028869918 561973823 /nfs/dbraw/zinc/97/38/23/561973823.db2.gz XFXJOECCOKNBMS-UHFFFAOYSA-N 0 1 520.698 6.748 1 0 KKAFMN COc1ccccc1C(c1ccccc1OC)N1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1 ZINC000028869869 561973843 /nfs/dbraw/zinc/97/38/43/561973843.db2.gz GJFBEHIWIGLENN-VHEBQXMUSA-N 0 1 513.682 5.021 1 0 KKAFMN O=C1NC(=Cc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899279 561979641 /nfs/dbraw/zinc/97/96/41/561979641.db2.gz ZVJUIIFILZVRAC-SJIPCVTESA-N 0 1 544.655 5.894 1 0 KKAFMN CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(C)C[C@@H](C)c3ccco3)sc21 ZINC000028901679 561980078 /nfs/dbraw/zinc/98/00/78/561980078.db2.gz UNYJGAONQYGWJT-GOSISDBHSA-N 0 1 512.075 5.885 1 0 KKAFMN COc1ccccc1/C(C)=C/C[N@@H+](C)CCC[C@H](P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[P@](=O)([O-])OCOC(=O)C(C)(C)C ZINC000028968405 561985517 /nfs/dbraw/zinc/98/55/17/561985517.db2.gz KLDYXDPEEBRHBO-KJANZVAVSA-N 0 1 749.772 7.205 1 0 KKAFMN Nc1ccccc1NC(=O)c1cc2ccc([C@@H](NCCc3ccccn3)C(=O)NCc3ccccc3)cc2s1 ZINC000028976370 561986924 /nfs/dbraw/zinc/98/69/24/561986924.db2.gz ZSHGBUGJEFDKCS-GDLZYMKVSA-N 0 1 535.673 5.321 1 0 KKAFMN Nc1ccccc1NC(=O)c1ccc([C@H](C(=O)Nc2ccc3ccccc3c2)N2CCN(CCc3ccccc3)CC2)cc1 ZINC000028976602 561987003 /nfs/dbraw/zinc/98/70/03/561987003.db2.gz YBTFCJQIFFETRP-PGUFJCEWSA-N 0 1 583.736 6.214 1 0 KKAFMN Nc1nn(CCc2c[nH]cn2)c2nc(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126873 561999091 /nfs/dbraw/zinc/99/90/91/561999091.db2.gz YNXIBVROBVAXTR-UHFFFAOYSA-N 0 1 609.738 5.793 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5nc(N(C)C)oc5cc4CC3)n2C)n1 ZINC000029126902 561999209 /nfs/dbraw/zinc/99/92/09/561999209.db2.gz YZVLQPHHXCJUBM-UHFFFAOYSA-N 0 1 527.698 5.129 1 0 KKAFMN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)C(F)(F)F)nc5c4CC3)n2C)n1 ZINC000029127199 561999643 /nfs/dbraw/zinc/99/96/43/561999643.db2.gz YJTUMJAALUNJJT-UHFFFAOYSA-N 0 1 602.633 6.717 1 0 KKAFMN COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@@H](O)CN3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000029130399 562002539 /nfs/dbraw/zinc/00/25/39/562002539.db2.gz VGQVERFTHHEIEQ-GMCHKSTQSA-N 0 1 528.718 5.494 1 0 KKAFMN CCCCCc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)o1 ZINC000029327673 562013550 /nfs/dbraw/zinc/01/35/50/562013550.db2.gz WENQKJQTJBPMGQ-MHZLTWQESA-N 0 1 534.682 5.136 1 0 KKAFMN CC[C@@](C)(c1cc(Br)c(O)c(Br)c1)[C@H](CCCCO)c1ccc(O)c(Br)c1 ZINC000029332786 562013972 /nfs/dbraw/zinc/01/39/72/562013972.db2.gz GKYMIMICPDQPRZ-VFNWGFHPSA-N 0 1 565.140 6.999 1 0 KKAFMN O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCCCN2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029390944 562017322 /nfs/dbraw/zinc/01/73/22/562017322.db2.gz JSRIBAJLWYYEGN-AKGWNBJDSA-N 0 1 643.637 5.024 1 0 KKAFMN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000029567703 562034739 /nfs/dbraw/zinc/03/47/39/562034739.db2.gz PRENICXUXBJNOT-LJAQVGFWSA-N 0 1 574.703 5.678 1 0 KKAFMN CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O ZINC000034315726 562038713 /nfs/dbraw/zinc/03/87/13/562038713.db2.gz ZQTRWSUPLBZZJQ-LJAQVGFWSA-N 0 1 511.666 5.387 1 0 KKAFMN Cn1c(Nc2ccc(C(C)(C)C)cc2)nc2cc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)ccc21 ZINC000034983162 562044184 /nfs/dbraw/zinc/04/41/84/562044184.db2.gz JSLFPRZIKITLJX-UHFFFAOYSA-N 0 1 506.532 7.211 1 0 KKAFMN CC(C)N1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036089469 562047057 /nfs/dbraw/zinc/04/70/57/562047057.db2.gz PRDAXZPQPYWOJJ-UHFFFAOYSA-N 0 1 508.453 5.894 1 0 KKAFMN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC4CCCC4)CC3)cn2)c(F)c1 ZINC000036161560 562048772 /nfs/dbraw/zinc/04/87/72/562048772.db2.gz NQAKFHXBDFXYKI-UHFFFAOYSA-N 0 1 548.634 5.374 1 0 KKAFMN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nnc2c1 ZINC000035874215 562045616 /nfs/dbraw/zinc/04/56/16/562045616.db2.gz GGNXJUYBBQRVPK-UHFFFAOYSA-N 0 1 530.698 5.077 1 0 KKAFMN COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 ZINC000035903990 562045635 /nfs/dbraw/zinc/04/56/35/562045635.db2.gz CIPPBSIONMAVDW-NSHDSACASA-N 0 1 506.431 5.145 1 0 KKAFMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl)c1cccc2ccccc21 ZINC000036476115 562060949 /nfs/dbraw/zinc/06/09/49/562060949.db2.gz ASMDMTBAOYMOCC-IWMITWMQSA-N 0 1 511.902 6.740 1 0 KKAFMN CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)OC(C)(C)C ZINC000037246101 562061624 /nfs/dbraw/zinc/06/16/24/562061624.db2.gz MPWSTMOVEPBKOE-UHFFFAOYSA-N 0 1 587.525 8.360 1 0 KKAFMN CN1CCN(Cc2ccc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3n2)CC1 ZINC000038149729 562066219 /nfs/dbraw/zinc/06/62/19/562066219.db2.gz YLNMKOAPZKIZAU-UHFFFAOYSA-N 0 1 502.043 5.063 1 0 KKAFMN CC(=O)N1CCC(C(=O)N(CCCN2CCC([S@](=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156575 562068401 /nfs/dbraw/zinc/06/84/01/562068401.db2.gz MIEWISRGDFUMGE-LHEWISCISA-N 0 1 582.569 5.386 1 0 KKAFMN C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(NC(=O)C3CCCCC3)c2[nH]1 ZINC000038157618 562069254 /nfs/dbraw/zinc/06/92/54/562069254.db2.gz HFOWLUKSAYYFJW-OAHLLOKOSA-N 0 1 551.013 5.356 1 0 KKAFMN COC(=O)[C@](CCCN1CCN(Cc2ccccc2F)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040394444 562074238 /nfs/dbraw/zinc/07/42/38/562074238.db2.gz TZOXLDGQHYFMCA-SANMLTNESA-N 0 1 505.472 5.253 1 0 KKAFMN CCC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040421929 562075899 /nfs/dbraw/zinc/07/58/99/562075899.db2.gz MZRKRGQEXLPPNW-PMERELPUSA-N 0 1 521.652 5.675 1 0 KKAFMN O=C(N1CCC[C@](c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1)C(F)(F)F ZINC000040430001 562076745 /nfs/dbraw/zinc/07/67/45/562076745.db2.gz KLGLMVXXCWGYNY-DEOSSOPVSA-N 0 1 509.410 5.784 1 0 KKAFMN CC(C)(C)NCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040860071 562080693 /nfs/dbraw/zinc/08/06/93/562080693.db2.gz BOOADBNNIFRSQO-UHFFFAOYSA-N 0 1 519.493 7.361 1 0 KKAFMN Cc1cc([C@](N)(c2cncn2C)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)ccc1Cl ZINC000040893045 562082905 /nfs/dbraw/zinc/08/29/05/562082905.db2.gz IABMYASLJYYTRX-MUUNZHRXSA-N 0 1 503.433 5.805 1 0 KKAFMN CCC1C=C(c2cccc([C@H](COC)Cc3c(O)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C=N1 ZINC000103533139 560050923 /nfs/dbraw/zinc/05/09/23/560050923.db2.gz IYORZYOHUUKIDT-VWLOTQADSA-N 0 1 598.672 5.957 1 0 biogenic,in-vitro KKAFMN O=C(C=C(O)C1=CCc2[nH]ccc2[C@H]1C[C@H](O)CCc1cccc(O)c1)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000103531541 560050968 /nfs/dbraw/zinc/05/09/68/560050968.db2.gz DUKVONHADFPPRO-WKNQFTJWSA-N 0 1 556.679 5.805 1 0 biogenic,in-vitro KKAFMN COc1cc(CCC(=O)C=C(O)CCCCCCc2cccc(O)c2-c2ccc3cc(O)ccc3c2)ccc1O ZINC000085627092 560068971 /nfs/dbraw/zinc/06/89/71/560068971.db2.gz VEXUYYLZWWUEGM-UHFFFAOYSA-N 0 1 540.656 7.286 1 0 biogenic,in-vitro KKAFMN O=C([O-])CC[N@@H+]1CCc2c(c3cc(F)ccc3n2Cc2cccc(/C=C/c3ccc4cc(F)c(F)cc4n3)c2)C1 ZINC000043071469 562645543 /nfs/dbraw/zinc/64/55/43/562645543.db2.gz MTCPOOUEKIOYRD-QPJJXVBHSA-N 0 1 541.573 6.658 1 0 KKAFMN O=C([O-])CC[N@H+]1CCc2c(c3cc(F)ccc3n2Cc2cccc(/C=C/c3ccc4cc(F)c(F)cc4n3)c2)C1 ZINC000043071469 562645544 /nfs/dbraw/zinc/64/55/44/562645544.db2.gz MTCPOOUEKIOYRD-QPJJXVBHSA-N 0 1 541.573 6.658 1 0 KKAFMN C[C@@H]1CCCN1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br ZINC000043079503 562645783 /nfs/dbraw/zinc/64/57/83/562645783.db2.gz VLJYRARAGISBAK-CQSZACIVSA-N 0 1 516.299 5.109 1 0 KKAFMN C[C@H](NC(=O)c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079725 562645832 /nfs/dbraw/zinc/64/58/32/562645832.db2.gz KYIFZXJUWBRQGE-RTWAWAEBSA-N 0 1 550.497 5.375 1 0 KKAFMN Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000043100211 562645881 /nfs/dbraw/zinc/64/58/81/562645881.db2.gz VDGCNOYTIPMBBA-GNSPLJBXSA-N 0 1 614.808 6.883 1 0 KKAFMN CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CCCCC3)c2)CC1 ZINC000043204149 562647013 /nfs/dbraw/zinc/64/70/13/562647013.db2.gz VHSQRCDULUNORA-UHFFFAOYSA-N 0 1 558.677 6.181 1 0 KKAFMN COc1ccc([C@@](OCC[N@H+]2CCC[C@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000043273854 562647314 /nfs/dbraw/zinc/64/73/14/562647314.db2.gz JLPFRSGXRAQFON-WTYVLRPYSA-N 0 1 581.553 6.838 1 0 KKAFMN O=C1CCc2cc(Br)c(cc2Br)Oc2cc(cc(Br)c2O)CCN1 ZINC000044052761 562651836 /nfs/dbraw/zinc/65/18/36/562651836.db2.gz FZPRZWMNCDTIIJ-UHFFFAOYSA-N 0 1 520.015 5.077 1 0 KKAFMN Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCCCC3)CC2)cc2c[nH]nc21 ZINC000044307281 562653971 /nfs/dbraw/zinc/65/39/71/562653971.db2.gz IMDZWNUQVIIKIH-JGCGQSQUSA-N 0 1 624.786 5.117 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2ccccc2)C1 ZINC000044418284 562657271 /nfs/dbraw/zinc/65/72/71/562657271.db2.gz YMDOMKSTYDVLJM-ZGIBFIJWSA-N 0 1 561.170 6.192 1 0 KKAFMN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2ccccc2)C1 ZINC000044418284 562657272 /nfs/dbraw/zinc/65/72/72/562657272.db2.gz YMDOMKSTYDVLJM-ZGIBFIJWSA-N 0 1 561.170 6.192 1 0 KKAFMN C[N@@H+]1CCc2cc([N-]S(=O)(=O)c3ccc(-c4ccc(Cl)s4)cc3)c(N3CCCCC3)cc2CC1 ZINC000045167882 562658099 /nfs/dbraw/zinc/65/80/99/562658099.db2.gz WCYXCHVZMPSMEI-UHFFFAOYSA-N 0 1 516.132 5.890 1 0 KKAFMN C[N@H+]1CCc2cc([N-]S(=O)(=O)c3ccc(-c4ccc(Cl)s4)cc3)c(N3CCCCC3)cc2CC1 ZINC000045167882 562658100 /nfs/dbraw/zinc/65/81/00/562658100.db2.gz WCYXCHVZMPSMEI-UHFFFAOYSA-N 0 1 516.132 5.890 1 0 KKAFMN CC(C)Oc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3ccc(Cl)s3)cc1F)CC[N@@H+](C)CC2 ZINC000045202456 562659140 /nfs/dbraw/zinc/65/91/40/562659140.db2.gz JVFMPEUUYBJTCA-UHFFFAOYSA-N 0 1 509.068 5.826 1 0 KKAFMN CC[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc(N3CCN([C@H](C)c4ccccc4)CC3)c2C1=O ZINC000045245328 562659722 /nfs/dbraw/zinc/65/97/22/562659722.db2.gz JGIWRIFEXHLPDP-PXDATVDWSA-N 0 1 513.638 5.334 1 0 KKAFMN COc1cc2nccc(N(C)c3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC ZINC000045299233 562660385 /nfs/dbraw/zinc/66/03/85/562660385.db2.gz PIBYAUKKXDSVPW-UHFFFAOYSA-N 0 1 515.545 5.633 1 0 KKAFMN CC(C)Oc1cccc(-c2ccc(C(=O)NC[C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3)s2)c1 ZINC000045302198 562660587 /nfs/dbraw/zinc/66/05/87/562660587.db2.gz FTQVYVFAAPRQJU-OAQYLSRUSA-N 0 1 516.629 6.863 1 0 KKAFMN Cc1ccc(-c2[nH]c(C(C)(C)C)nc2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc1 ZINC000045337222 562661421 /nfs/dbraw/zinc/66/14/21/562661421.db2.gz QIMIVUKEHRRLAM-UHFFFAOYSA-N 0 1 520.637 6.234 1 0 KKAFMN Cc1cc[nH+]c(NCc2sccc2-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(=O)[O-])cc2)c1 ZINC000045350340 562661698 /nfs/dbraw/zinc/66/16/98/562661698.db2.gz VXWPHQRTNDOPIH-VWLOTQADSA-N 0 1 513.663 6.082 1 0 KKAFMN CC(C)CC[C@H](c1cnc(C(F)(F)F)cn1)[N@H+]1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045355164 562661838 /nfs/dbraw/zinc/66/18/38/562661838.db2.gz JAQUMVDVGJMAOI-HBGVWJBISA-N 0 1 517.514 6.920 1 0 KKAFMN Cc1ccc(CNC(=O)/C=C\C(=O)N2CCCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045373268 562662275 /nfs/dbraw/zinc/66/22/75/562662275.db2.gz DJTKGWCOGVBRHI-PAWAISHBSA-N 0 1 502.058 5.145 1 0 KKAFMN CC[C@H](C)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(N4CC[NH+](CC5CC5)CC4)c3)cc2)cc1 ZINC000048307296 562662866 /nfs/dbraw/zinc/66/28/66/562662866.db2.gz TUUZZFRUFZPDTB-QHCPKHFHSA-N 0 1 576.763 5.794 1 0 KKAFMN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CCN2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000048307334 562662941 /nfs/dbraw/zinc/66/29/41/562662941.db2.gz BZORWBBHTKRSGC-VWLOTQADSA-N 0 1 546.202 6.547 1 0 KKAFMN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(-c4cc(=O)[nH]c(Nc5ccccc5Cl)n4)cc3[nH]2)cc1 ZINC000048308854 562663111 /nfs/dbraw/zinc/66/31/11/562663111.db2.gz YPANQBNCMRQZEX-UHFFFAOYSA-N 0 1 620.135 5.773 1 0 KKAFMN O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000049049841 562663762 /nfs/dbraw/zinc/66/37/62/562663762.db2.gz IHOVJSHWHKBKCL-QCDSWUKFSA-N 0 1 521.488 6.436 1 0 KKAFMN O=C1Nc2ccc(Br)cc2[C@]12N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049072419 562664215 /nfs/dbraw/zinc/66/42/15/562664215.db2.gz ZHTRZMVAQXYXBW-VFNZBSSOSA-N 0 1 501.424 5.854 1 0 KKAFMN O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(CCN1CCCCC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049605160 562665476 /nfs/dbraw/zinc/66/54/76/562665476.db2.gz XQSKDZCQZDQMAH-UHFFFAOYSA-N 0 1 688.741 7.660 1 0 KKAFMN CS(=O)(=O)c1ccc(CNCc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)cc1 ZINC000049625858 562666868 /nfs/dbraw/zinc/66/68/68/562666868.db2.gz ROZDJEIFFBNNNA-UHFFFAOYSA-N 0 1 535.591 6.609 1 0 KKAFMN CCOc1ccccc1N1CCN(CCCNC(=O)/C(=C/C=C/c2cc3cc(Cl)c(Cl)cc3[nH]2)OC)CC1 ZINC000049626681 562667300 /nfs/dbraw/zinc/66/73/00/562667300.db2.gz SJQJUYSZPOQPEY-TUNHADRTSA-N 0 1 557.522 5.745 1 0 KKAFMN COc1ccc([C@@H](CCNC(=O)OC(C)(C)C)N2C(=O)c3cccc(N4CCN([C@@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679045 562668768 /nfs/dbraw/zinc/66/87/68/562668768.db2.gz VXIRZADKDLXOPU-RBJSKKJNSA-N 0 1 628.770 5.839 1 0 KKAFMN COc1ccc([C@@H](CCCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049694450 562669376 /nfs/dbraw/zinc/66/93/76/562669376.db2.gz DJKJQQZHJKJZBN-PDDLMNHVSA-N 0 1 700.862 5.023 1 0 KKAFMN S=c1[nH]nc(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n1-c1ccc(Br)cc1 ZINC000049694804 562669810 /nfs/dbraw/zinc/66/98/10/562669810.db2.gz QOOIFDXCIBSTKW-UHFFFAOYSA-N 0 1 547.301 6.422 1 0 KKAFMN COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1OCC=C(C)C ZINC000049694818 562669816 /nfs/dbraw/zinc/66/98/16/562669816.db2.gz IFEIUFUMDATZMQ-HKFHRXRESA-N 0 1 616.663 6.443 1 0 KKAFMN CC(C)(C(=O)[O-])c1cccc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000049695243 562670300 /nfs/dbraw/zinc/67/03/00/562670300.db2.gz IAXOISXBOXYVMG-UHFFFAOYSA-N 0 1 610.116 8.824 1 0 KKAFMN COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1N1CC[NH+](CC2CC2)CC1 ZINC000049710067 562671507 /nfs/dbraw/zinc/67/15/07/562671507.db2.gz XDTBAMJKTMZPRT-UHFFFAOYSA-N 0 1 588.652 5.299 1 0 KKAFMN COc1ccc(OCCCN2CCCCC2)cc1S(=O)(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000049710093 562671537 /nfs/dbraw/zinc/67/15/37/562671537.db2.gz MIPSSCHFCMLFHK-UHFFFAOYSA-N 0 1 563.638 6.381 1 0 KKAFMN CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(CCCN6CCOCC6)cc5sc4n3)cc2)no1 ZINC000049723205 562673075 /nfs/dbraw/zinc/67/30/75/562673075.db2.gz UMYGVIGBQXDICG-UHFFFAOYSA-N 0 1 558.708 6.410 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000049723326 562673273 /nfs/dbraw/zinc/67/32/73/562673273.db2.gz HGZGLFFJVYSDKT-VZUCSPMQSA-N 0 1 555.453 5.744 1 0 KKAFMN CC(C)(C)c1ccc(OC(=O)c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCN(Cc4ccc(O)cc4)C3)cc2)cc1 ZINC000049744933 562673513 /nfs/dbraw/zinc/67/35/13/562673513.db2.gz CIPFNSORHWWFGG-NHZFLZHXSA-N 0 1 650.776 5.738 1 0 KKAFMN Cc1ccc(-c2nc(C(F)(F)F)[nH]c2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc1F ZINC000049762561 562676612 /nfs/dbraw/zinc/67/66/12/562676612.db2.gz FJRVNDKOZKLFNC-UHFFFAOYSA-N 0 1 550.516 6.094 1 0 KKAFMN Cc1ccc(-c2[nH]c(C(F)(F)F)nc2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc1F ZINC000049762561 562676614 /nfs/dbraw/zinc/67/66/14/562676614.db2.gz FJRVNDKOZKLFNC-UHFFFAOYSA-N 0 1 550.516 6.094 1 0 KKAFMN COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3ccccc3NCc3cc(OC)c(OC)c(OC)c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049776995 562679490 /nfs/dbraw/zinc/67/94/90/562679490.db2.gz VIBCUODVMOOGGW-NDEPHWFRSA-N 0 1 699.849 5.661 1 0 KKAFMN CCCC[C@H](CC)C(O)=C(NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC ZINC000049780198 562681472 /nfs/dbraw/zinc/68/14/72/562681472.db2.gz CQEARRKWGBDBGO-GFLPGQDNSA-N 0 1 660.877 7.048 1 0 KKAFMN Nc1cc(Oc2ccc(Nc3ncc(Br)cc3C(=O)Nc3ccc(F)cc3F)cc2F)ccn1 ZINC000049803068 562686050 /nfs/dbraw/zinc/68/60/50/562686050.db2.gz TVKNKGVTROCEEA-UHFFFAOYSA-N 0 1 530.304 6.027 1 0 KKAFMN CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl ZINC000049823109 562687025 /nfs/dbraw/zinc/68/70/25/562687025.db2.gz OWZSLAFZHOVBMI-UHFFFAOYSA-N 0 1 647.669 5.283 1 0 KKAFMN CS(=O)(=O)CCNCc1ccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)[nH]1 ZINC000049867510 562689550 /nfs/dbraw/zinc/68/95/50/562689550.db2.gz YCHMPCBHRODLET-UHFFFAOYSA-N 0 1 586.114 5.936 1 0 KKAFMN Clc1ccc(CSc2nc3cc(-c4ccc5nc(SCc6ccc(Cl)nc6)[nH]c5c4)ccc3[nH]2)cn1 ZINC000049872268 562689899 /nfs/dbraw/zinc/68/98/99/562689899.db2.gz SDBNEFJCCBQCRU-UHFFFAOYSA-N 0 1 549.512 7.788 1 0 KKAFMN Clc1ccc(CSc2nc3ccc(-c4ccc5nc(SCc6ccc(Cl)nc6)[nH]c5c4)cc3[nH]2)cn1 ZINC000049872268 562689900 /nfs/dbraw/zinc/68/99/00/562689900.db2.gz SDBNEFJCCBQCRU-UHFFFAOYSA-N 0 1 549.512 7.788 1 0 KKAFMN CCOC(=O)[C@H](C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000049872474 562690067 /nfs/dbraw/zinc/69/00/67/562690067.db2.gz BSAKCTVYTGENGJ-GFPUREGVSA-N 0 1 554.613 5.043 1 0 KKAFMN CCOP(=O)(CSc1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1)OCC ZINC000049878629 562690721 /nfs/dbraw/zinc/69/07/21/562690721.db2.gz AZXQUHLBEZBKJS-LJQANCHMSA-N 0 1 540.601 7.767 1 0 KKAFMN CCN1CC[C@@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049917866 562694062 /nfs/dbraw/zinc/69/40/62/562694062.db2.gz WDQWQNOQDURTBH-SSEXGKCCSA-N 0 1 691.766 8.381 1 0 KKAFMN O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049918016 562694319 /nfs/dbraw/zinc/69/43/19/562694319.db2.gz DSLNSSBBWLMIIQ-INOXDZRUSA-N 0 1 534.915 5.804 1 0 KKAFMN COC(=O)c1ccccc1N1CCN(CCCCNC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000049918134 562694521 /nfs/dbraw/zinc/69/45/21/562694521.db2.gz LCJSIFJKPMDPFK-UHFFFAOYSA-N 0 1 583.516 5.365 1 0 KKAFMN O=C(NCc1cc(-c2ccc(=O)n(CCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)ccc1Cl)c1ccccc1 ZINC000053295663 562697320 /nfs/dbraw/zinc/69/73/20/562697320.db2.gz MMMLFJAXXVWJKE-UHFFFAOYSA-N 0 1 610.080 5.725 1 0 KKAFMN Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1/C=C/c1cnc2cccnn12 ZINC000053296119 562697361 /nfs/dbraw/zinc/69/73/61/562697361.db2.gz VAHLZPLJZFWYRY-CSKARUKUSA-N 0 1 534.586 5.227 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2cc[nH+]cc2)c2ccccc12 ZINC000058523763 562698587 /nfs/dbraw/zinc/69/85/87/562698587.db2.gz PFXHSJRHNSRFIZ-UHFFFAOYSA-N 0 1 546.649 5.477 1 0 KKAFMN Cn1c(Nc2cc(C(C)(C)C)ccc2F)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 ZINC000059769688 562702189 /nfs/dbraw/zinc/70/21/89/562702189.db2.gz KLUQUTDAFSUQQQ-UHFFFAOYSA-N 0 1 524.522 7.350 1 0 KKAFMN COc1ccc([C@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2ccccn2)cc1 ZINC000061904329 562702956 /nfs/dbraw/zinc/70/29/56/562702956.db2.gz RLPSINIDQZBJGZ-SANMLTNESA-N 0 1 514.453 5.394 3 0 KKAFMN COc1ccc([C@@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2ccccn2)cc1 ZINC000061904330 562703033 /nfs/dbraw/zinc/70/30/33/562703033.db2.gz RLPSINIDQZBJGZ-AREMUKBSSA-N 0 1 514.453 5.394 3 0 KKAFMN CCCCOc1ccc(C(C)(C)CC)cc1S(=O)(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1 ZINC000063539601 562704473 /nfs/dbraw/zinc/70/44/73/562704473.db2.gz KNWWRJAPDGOPBT-UHFFFAOYSA-N 0 1 524.712 6.608 1 0 KKAFMN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064436809 562705223 /nfs/dbraw/zinc/70/52/23/562705223.db2.gz KESJHBITHJMSMQ-SFTDATJTSA-N 0 1 516.584 5.033 1 0 KKAFMN CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4ccc(F)c5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064447732 562705422 /nfs/dbraw/zinc/70/54/22/562705422.db2.gz IOXPBXUNYNTKQK-OALUTQOASA-N 0 1 552.564 5.312 1 0 KKAFMN CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1C(F)(F)F ZINC000064453801 562705642 /nfs/dbraw/zinc/70/56/42/562705642.db2.gz FVDQTDWBXKAMSI-SFTDATJTSA-N 0 1 566.591 5.913 1 0 KKAFMN C[N@H+](CCN1CCCC1)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099864 562711143 /nfs/dbraw/zinc/71/11/43/562711143.db2.gz ADWCQRSCTVWPEH-XMMPIXPASA-N 0 1 501.671 5.843 1 0 KKAFMN C[N@@H+](CCN1CCCC1)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099864 562711144 /nfs/dbraw/zinc/71/11/44/562711144.db2.gz ADWCQRSCTVWPEH-XMMPIXPASA-N 0 1 501.671 5.843 1 0 KKAFMN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1Cl ZINC000066263826 562715579 /nfs/dbraw/zinc/71/55/79/562715579.db2.gz MEKLTYPHUYUURO-UHFFFAOYSA-N 0 1 529.428 5.204 1 0 KKAFMN Cc1ccc(-c2nc3ccc(-c4nc5ccc(Oc6ccccc6)cc5[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066263932 562715593 /nfs/dbraw/zinc/71/55/93/562715593.db2.gz HXKWDBPQYHPNST-UHFFFAOYSA-N 0 1 507.597 8.389 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4c3)cc2[nH]1)C(C)C ZINC000068208997 562716050 /nfs/dbraw/zinc/71/60/50/562716050.db2.gz YHJWHJAVSYEQJM-KRCBVYEFSA-N 0 1 686.814 5.194 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4c3)cc2[nH]1)C(C)C ZINC000068208997 562716051 /nfs/dbraw/zinc/71/60/51/562716051.db2.gz YHJWHJAVSYEQJM-KRCBVYEFSA-N 0 1 686.814 5.194 1 0 KKAFMN CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000071331593 562719322 /nfs/dbraw/zinc/71/93/22/562719322.db2.gz WLNIVNVJKHJSOQ-FECOFQHFSA-N 0 1 577.899 7.421 1 0 KKAFMN CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1 ZINC000071333192 562719416 /nfs/dbraw/zinc/71/94/16/562719416.db2.gz VKSAXUHKZPMTJY-QSOCIONNSA-N 0 1 544.989 6.393 1 0 KKAFMN COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000072123003 562724654 /nfs/dbraw/zinc/72/46/54/562724654.db2.gz YXGKGJSDCOONRV-UHFFFAOYSA-N 0 1 503.348 5.197 1 0 KKAFMN COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072126825 562725434 /nfs/dbraw/zinc/72/54/34/562725434.db2.gz XBNMMIUYLLSXQW-TWUWCHPWSA-N 0 1 636.598 5.155 3 0 KKAFMN O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072139365 562728886 /nfs/dbraw/zinc/72/88/86/562728886.db2.gz DLDMNWMLAYLBII-LJAQVGFWSA-N 0 1 534.487 6.538 3 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(-c5ccc(OC)cc5)[nH]n4)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000072147780 562729852 /nfs/dbraw/zinc/72/98/52/562729852.db2.gz XJWJWPUTACXQHR-UHFFFAOYSA-N 0 1 636.675 5.755 3 0 KKAFMN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072186169 562732999 /nfs/dbraw/zinc/73/29/99/562732999.db2.gz AHOIRQGPGBEGIH-HSZRJFAPSA-N 0 1 527.971 5.425 1 0 KKAFMN C[N@@H+]([C@H](C(=O)[O-])C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)C1CCC(c2c[nH]c3ccccc32)CC1 ZINC000073195682 562734933 /nfs/dbraw/zinc/73/49/33/562734933.db2.gz HHBFMMLTWZSYIK-KOAJYHSYSA-N 0 1 553.625 5.948 1 0 KKAFMN CCCOc1cccc2c1CN[C@H]([C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)([C@@H](C)CC)C1=O)C2 ZINC000082139810 562739233 /nfs/dbraw/zinc/73/92/33/562739233.db2.gz UNHYCLXMUBLSOA-JBDRMLJOSA-N 0 1 718.886 5.011 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140394 562739445 /nfs/dbraw/zinc/73/94/45/562739445.db2.gz CNXQZTWZUOCTHS-MECJFHGGSA-N 0 1 714.732 5.069 1 0 KKAFMN CC(C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140460 562739467 /nfs/dbraw/zinc/73/94/67/562739467.db2.gz NCLGXQKSEWVACV-IYKBMPGESA-N 0 1 740.820 5.210 1 0 KKAFMN CC(C)[C@@H](NC(=O)C(F)(F)F)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(C)C ZINC000082186166 562742390 /nfs/dbraw/zinc/74/23/90/562742390.db2.gz NBEXCWSOFZSABN-UFTIBIJLSA-N 0 1 631.690 5.208 1 0 KKAFMN O=C1c2cc(Cl)nnc2Oc2ccc(C(F)(F)F)cc2N1CCCN1CCN(c2ccccc2)CC1 ZINC000084403324 562742973 /nfs/dbraw/zinc/74/29/73/562742973.db2.gz IVLYLWFIAOFDJF-UHFFFAOYSA-N 0 1 517.939 5.114 1 0 KKAFMN CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595489 562743581 /nfs/dbraw/zinc/74/35/81/562743581.db2.gz DYCREHHMIKZXHW-LEFKNYOOSA-N 0 1 626.764 6.629 1 0 KKAFMN CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595489 562743582 /nfs/dbraw/zinc/74/35/82/562743582.db2.gz DYCREHHMIKZXHW-LEFKNYOOSA-N 0 1 626.764 6.629 1 0 KKAFMN C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CCN(C)CC5)cc4OC)ncc3CN(c3ccc4ccccc4c3)C2=O)c1 ZINC000084653645 562746939 /nfs/dbraw/zinc/74/69/39/562746939.db2.gz CAAQIXNRUIJYOQ-UHFFFAOYSA-N 0 1 640.748 6.537 1 0 KKAFMN C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CCN(C)CC5)cc4OC)ncc3CN(Cc3ccccc3)C2=O)c1 ZINC000084654052 562747191 /nfs/dbraw/zinc/74/71/91/562747191.db2.gz JARUUYXHPLGHLF-UHFFFAOYSA-N 0 1 604.715 5.379 1 0 KKAFMN O=C(CN1CCCC1)Nc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(NC(=O)CN7CCCC7)cc6)nn5)cc4c3)nn2)cc1 ZINC000084688338 562749197 /nfs/dbraw/zinc/74/91/97/562749197.db2.gz YEWJKHPMDVIGCJ-UHFFFAOYSA-N 0 1 666.790 5.404 1 0 KKAFMN Cc1ccc(NC(=O)Nc2ccc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)cc2Cl)cc1C(F)(F)F ZINC000084756696 562752281 /nfs/dbraw/zinc/75/22/81/562752281.db2.gz FSNLQUOMAQWASE-UHFFFAOYSA-N 0 1 555.866 7.907 1 0 KKAFMN COc1ccc(NC(=O)COc2cc(O)c3c(c2)oc(-c2ccc4c(c2)O[C@H](c2ccc(OCC(=O)Nc5ccc(OC)cc5)c(OC)c2)[C@@H](CO)O4)c(O)c3=O)cc1 ZINC000095536772 562754140 /nfs/dbraw/zinc/75/41/40/562754140.db2.gz 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LOMAZTFGYVJFGL-WINTZHOJSA-N 0 1 812.939 8.358 1 0 KKAFMN CC(C)C[N@@H+](Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(=O)[N-]C3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1 ZINC000095540241 562755589 /nfs/dbraw/zinc/75/55/89/562755589.db2.gz LOMAZTFGYVJFGL-WINTZHOJSA-N 0 1 812.939 8.358 1 0 KKAFMN CS(=O)(=O)Nc1ccccc1C1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)CC1 ZINC000095540595 562755845 /nfs/dbraw/zinc/75/58/45/562755845.db2.gz OBCMJQIOJSEAIS-NDEPHWFRSA-N 0 1 590.573 5.446 1 0 KKAFMN CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548851 562759558 /nfs/dbraw/zinc/75/95/58/562759558.db2.gz OWLIDSNTELINGK-CAMIKBECSA-N 0 1 744.827 6.175 1 0 KKAFMN C[C@@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548853 562759567 /nfs/dbraw/zinc/75/95/67/562759567.db2.gz LSIFUWIWPRWHMV-YFVMGWHOSA-N 0 1 778.844 6.372 1 0 KKAFMN Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@H](Oc4ccc(Cl)c(C)c4Cl)C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000095554233 562761183 /nfs/dbraw/zinc/76/11/83/562761183.db2.gz UTVOOLLPUMDSJS-RBBKRZOGSA-N 0 1 505.442 5.211 1 0 KKAFMN O=C([O-])C[C@@H]1CC[N@@H+]([C@@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095554527 562761312 /nfs/dbraw/zinc/76/13/12/562761312.db2.gz MVXLOAFTFDPCPK-ASCCIXEMSA-N 0 1 807.858 8.298 1 0 KKAFMN CC(C)[C@@H](OC(N)=O)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@H]1CNCCO1)C4(C)C ZINC000095562289 562763638 /nfs/dbraw/zinc/76/36/38/562763638.db2.gz RVLXPDUQUJIBNC-BLFUPLJTSA-N 0 1 602.857 5.251 1 0 KKAFMN Cc1cccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)nc12 ZINC000095565636 562764645 /nfs/dbraw/zinc/76/46/45/562764645.db2.gz XKEHOFRDOAAVHY-UHFFFAOYSA-N 0 1 525.656 7.165 3 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095566273 562764844 /nfs/dbraw/zinc/76/48/44/562764844.db2.gz PKQAAOKAAVIVOG-YIIHMFSRSA-N 0 1 694.789 5.246 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095566423 562764940 /nfs/dbraw/zinc/76/49/40/562764940.db2.gz AOGINIYPPPQZNW-CQKZLPGDSA-N 0 1 702.856 5.546 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566902 562765364 /nfs/dbraw/zinc/76/53/64/562765364.db2.gz IXNRSUPNSZLJQC-AODHNJGLSA-N 0 1 700.840 6.670 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095568234 562766416 /nfs/dbraw/zinc/76/64/16/562766416.db2.gz MLNWPGCJBNVZPL-BCWKHWSNSA-N 0 1 706.265 5.327 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568899 562767040 /nfs/dbraw/zinc/76/70/40/562767040.db2.gz QLYAZMSBNLAUET-JOUUIMRQSA-N 0 1 692.842 5.735 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095569801 562767706 /nfs/dbraw/zinc/76/77/06/562767706.db2.gz MNZYSAQRTSNRPQ-RNDKRWLGSA-N 0 1 664.224 6.285 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095570975 562768701 /nfs/dbraw/zinc/76/87/01/562768701.db2.gz UIWHTZIAIXNFGN-XLCATFGMSA-N 0 1 718.880 6.249 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095571206 562768901 /nfs/dbraw/zinc/76/89/01/562768901.db2.gz WZRJGOIAGUHCGN-FSQFJQELSA-N 0 1 653.529 7.008 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095571461 562769071 /nfs/dbraw/zinc/76/90/71/562769071.db2.gz XHCFGJIATIGRMD-JQASONJCSA-N 0 1 650.780 5.517 1 0 KKAFMN CC1(C)C[N@@H+](CC/C=C2\c3cccnc3COc3ccc(C(=O)[O-])cc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O ZINC000095572273 562769409 /nfs/dbraw/zinc/76/94/09/562769409.db2.gz QKMUXXQVPOBBPT-VQMMKQGYSA-N 0 1 519.041 5.634 1 0 KKAFMN Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CC[N@@H+](C)C3)ccc2c(C2CCCC2)c1-c1ccoc1 ZINC000095574588 562770009 /nfs/dbraw/zinc/77/00/09/562770009.db2.gz BRCXXFSVKUKHKU-ATVBPIPYSA-N 0 1 580.685 5.637 1 0 KKAFMN CC(C)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H](CC(C)C)C(=O)[O-])c1 ZINC000095575371 562770275 /nfs/dbraw/zinc/77/02/75/562770275.db2.gz LLGFXWBVMOKSFP-NDEPHWFRSA-N 0 1 561.635 8.913 1 0 KKAFMN CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Oc1cncc(Cl)c1 ZINC000095591215 562775531 /nfs/dbraw/zinc/77/55/31/562775531.db2.gz HKPZGTVJXKCQLL-UHFFFAOYSA-N 0 1 534.343 5.750 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599875 562778409 /nfs/dbraw/zinc/77/84/09/562778409.db2.gz ZKPAWGOFKUDAFA-BWDKEVCWSA-N 0 1 685.788 6.672 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599924 562778445 /nfs/dbraw/zinc/77/84/45/562778445.db2.gz CHFYKRHHVBHPRB-SUCLBKFRSA-N 0 1 685.693 7.565 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599877 562778466 /nfs/dbraw/zinc/77/84/66/562778466.db2.gz CBAAPWVHONFTKW-PWRHEVILSA-N 0 1 724.843 6.039 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095600181 562778675 /nfs/dbraw/zinc/77/86/75/562778675.db2.gz CBAAPWVHONFTKW-RICRHEPGSA-N 0 1 724.843 6.039 1 0 KKAFMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095600330 562778829 /nfs/dbraw/zinc/77/88/29/562778829.db2.gz CBAAPWVHONFTKW-ZXGVZLNTSA-N 0 1 724.843 6.039 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095600528 562778947 /nfs/dbraw/zinc/77/89/47/562778947.db2.gz WSWWOBQXWOAKQJ-FLGDYYPQSA-N 0 1 637.608 6.018 1 0 KKAFMN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095600963 562779366 /nfs/dbraw/zinc/77/93/66/562779366.db2.gz AFYWTTPVIQZCSA-BNGFFDTHSA-N 0 1 678.802 6.126 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095600984 562779389 /nfs/dbraw/zinc/77/93/89/562779389.db2.gz ORNNHAIJDBYIOA-CGQTXMLISA-N 0 1 590.592 5.793 1 0 KKAFMN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095601295 562779550 /nfs/dbraw/zinc/77/95/50/562779550.db2.gz MDVGURPVGABTFV-SOTYFPCESA-N 0 1 610.711 5.565 1 0 KKAFMN COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)/c(=N/c3ccccc3)oc21 ZINC000095601464 562779618 /nfs/dbraw/zinc/77/96/18/562779618.db2.gz AAYBCINOWIIZPS-ZSWXBHCYSA-N 0 1 623.551 7.011 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095601658 562779657 /nfs/dbraw/zinc/77/96/57/562779657.db2.gz FKTABSPDLVGIRZ-LXKQQKLJSA-N 0 1 710.872 7.140 1 0 KKAFMN COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=N)oc21 ZINC000095602246 562780021 /nfs/dbraw/zinc/78/00/21/562780021.db2.gz UVVDQXUOAJAEPH-UHFFFAOYSA-N 0 1 547.453 5.258 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095603454 562780545 /nfs/dbraw/zinc/78/05/45/562780545.db2.gz UFTUBZJHXRESLK-HOPFVHLTSA-N 0 1 724.723 6.861 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605414 562781534 /nfs/dbraw/zinc/78/15/34/562781534.db2.gz UFTUBZJHXRESLK-MEEIBLSFSA-N 0 1 724.723 6.861 1 0 KKAFMN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095605639 562781638 /nfs/dbraw/zinc/78/16/38/562781638.db2.gz ISGWUMSRLISZDA-IHLWBQKJSA-N 0 1 720.760 7.030 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000095606418 562782059 /nfs/dbraw/zinc/78/20/59/562782059.db2.gz HBHXAVXLZKWCKM-PBFQYQTBSA-N 0 1 622.801 6.565 1 0 KKAFMN CCOc1ccc(Cc2cc(C3CCN(C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000095606418 562782060 /nfs/dbraw/zinc/78/20/60/562782060.db2.gz HBHXAVXLZKWCKM-PBFQYQTBSA-N 0 1 622.801 6.565 1 0 KKAFMN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cc2cnccc2s1)C[C@H](O)CN1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095606783 562782425 /nfs/dbraw/zinc/78/24/25/562782425.db2.gz ANNUMOOPAZTSPK-PDUYYWEESA-N 0 1 828.379 6.064 1 0 KKAFMN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3sccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095611292 562784975 /nfs/dbraw/zinc/78/49/75/562784975.db2.gz FIDINZVZPKCZGM-BJOKJEISSA-N 0 1 771.974 5.171 1 0 KKAFMN CC(=O)OC1=C2C(C)[C@@H](OC(C)=O)C[C@@](O)([C@@H](OCc3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)Cc4ccc(-c5ccccc5)cc4)[C@@]3(C)C1=O)C2(C)C ZINC000095612413 562785485 /nfs/dbraw/zinc/78/54/85/562785485.db2.gz MDTGTYPAZZYETE-XGJIAJTNSA-N 0 1 808.921 6.044 1 0 KKAFMN CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccc(-c3ccncc3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095612470 562785511 /nfs/dbraw/zinc/78/55/11/562785511.db2.gz YULBNWHGLGHOLZ-YLLZIJHKSA-N 0 1 820.981 5.291 1 0 KKAFMN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095751752 562788832 /nfs/dbraw/zinc/78/88/32/562788832.db2.gz XHKHZLHSPYTKDF-MGXQNUJRSA-N 0 1 690.838 5.965 1 0 KKAFMN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccc(C(=O)Nc3ccccc3N)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867160 562789807 /nfs/dbraw/zinc/78/98/07/562789807.db2.gz WCXPCWVVNYKWAF-DXZWXPFGSA-N 0 1 659.831 6.170 1 0 KKAFMN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(O)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869020 562789932 /nfs/dbraw/zinc/78/99/32/562789932.db2.gz DXNHWVNJBJSZGC-IQLGONJTSA-N 0 1 541.692 5.041 1 0 KKAFMN Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 ZINC000096167821 562790639 /nfs/dbraw/zinc/79/06/39/562790639.db2.gz YYPYASRAHWXLNS-UHFFFAOYSA-N 0 1 643.169 5.991 1 0 KKAFMN O=S(=O)(CC1CCCCC1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174081 562791622 /nfs/dbraw/zinc/79/16/22/562791622.db2.gz VVJBKHWQBSHHTE-UHFFFAOYSA-N 0 1 583.762 5.517 1 0 KKAFMN COCCN1CCN(c2ccc3ncnc(Nc4cc(C(=O)Nc5ccc(OC)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000096175726 562791915 /nfs/dbraw/zinc/79/19/15/562791915.db2.gz ZXVNDOPTIWSBIH-UHFFFAOYSA-N 0 1 595.626 5.125 1 0 KKAFMN COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(CC4CC[NH+](CC5CC5)CC4)nc32)c1 ZINC000096175767 562791985 /nfs/dbraw/zinc/79/19/85/562791985.db2.gz XRNSWZMAVCFKEP-UHFFFAOYSA-N 0 1 685.895 6.671 1 0 KKAFMN CCC[NH+]1CCC(Cc2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175768 562792021 /nfs/dbraw/zinc/79/20/21/562792021.db2.gz IRDPPYAERNGDPE-UHFFFAOYSA-N 0 1 673.884 6.671 1 0 KKAFMN Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000096177887 562792421 /nfs/dbraw/zinc/79/24/21/562792421.db2.gz KLVHMGYISDAIRN-MUUNZHRXSA-N 0 1 670.198 6.998 1 0 KKAFMN CCCCc1[nH+]cc(/C=C(/C(=O)[O-])[C@@H](Cc2ccccc2)c2cccs2)n1Cc1ccccc1Cl ZINC000096178632 562792735 /nfs/dbraw/zinc/79/27/35/562792735.db2.gz VBORJKBYUGUCOY-HWEDYNCSSA-N 0 1 505.083 7.483 1 0 KKAFMN CCCc1scc(-c2cn[nH]c2)c1C[C@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)c1nccc(=O)[nH]1 ZINC000096269756 562792996 /nfs/dbraw/zinc/79/29/96/562792996.db2.gz VZGLRGZNIAWDHX-QFIPXVFZSA-N 0 1 521.090 5.482 1 0 KKAFMN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(CC)c2ccccc2F)c[nH+]1 ZINC000096273513 562794551 /nfs/dbraw/zinc/79/45/51/562794551.db2.gz CVZZJEQYHMVDOP-DEOSSOPVSA-N 0 1 564.662 5.322 1 0 KKAFMN COc1ccc2nccc([C@@H](O)CC[C@@H]3CC[N@H+](C4CC(c5cccc(F)c5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905559 562798566 /nfs/dbraw/zinc/79/85/66/562798566.db2.gz CCJRNFFKIBSVQS-WQFAKMAKSA-N 0 1 510.581 5.304 1 0 KKAFMN Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C(CC(=O)c2ccc(Cl)cc2)=C(O)c2ccc(F)cc2)cc1 ZINC000096906780 562798857 /nfs/dbraw/zinc/79/88/57/562798857.db2.gz IYDXSMSARIEHTE-NDEPHWFRSA-N 0 1 602.087 6.527 1 0 KKAFMN COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907740 562799196 /nfs/dbraw/zinc/79/91/96/562799196.db2.gz DUMWFMFWWQGRCL-XZJHWRHTSA-N 0 1 664.644 7.035 1 0 KKAFMN COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)CN1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907736 562799219 /nfs/dbraw/zinc/79/92/19/562799219.db2.gz IZDKLOCKHFWMCL-GPNASLBKSA-N 0 1 588.546 5.445 1 0 KKAFMN COc1cc(Oc2cccc(C)c2)ccc1C(=O)N[C@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)C(C)C ZINC000096909587 562799589 /nfs/dbraw/zinc/79/95/89/562799589.db2.gz JOLILRFQTWUIAW-MUAVYFROSA-N 0 1 517.670 5.467 1 0 KKAFMN Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1O ZINC000096910121 562799829 /nfs/dbraw/zinc/79/98/29/562799829.db2.gz UWUBMHUIGQQPRR-WXVAWEFUSA-N 0 1 503.643 5.164 1 0 KKAFMN Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2[O-])c1 ZINC000096910127 562799887 /nfs/dbraw/zinc/79/98/87/562799887.db2.gz AAFKOXZJMUODRO-WXVAWEFUSA-N 0 1 503.643 5.164 1 0 KKAFMN Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2[O-])c1 ZINC000096910127 562799888 /nfs/dbraw/zinc/79/98/88/562799888.db2.gz AAFKOXZJMUODRO-WXVAWEFUSA-N 0 1 503.643 5.164 1 0 KKAFMN Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2C)c1 ZINC000096910125 562799894 /nfs/dbraw/zinc/79/98/94/562799894.db2.gz GAVRUFCVOFAUMT-PWUYWRBVSA-N 0 1 501.671 5.766 1 0 KKAFMN CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1 ZINC000096921420 562801434 /nfs/dbraw/zinc/80/14/34/562801434.db2.gz UAOWACOVBZWCJS-MXVPUGLGSA-N 0 1 764.367 5.647 1 0 KKAFMN CC(=O)OCCc1c2ccccc2[nH]c1[C@H](c1cccc(Br)c1)c1c(O)c2ccccc2n(C)c1=O ZINC000101444634 562810722 /nfs/dbraw/zinc/81/07/22/562810722.db2.gz MCRWIFOZDQHZNL-RUZDIDTESA-N 0 1 545.433 5.774 1 0 KKAFMN COc1ccccc1C[N@@H+](C)CCCCCCOc1ccc(-c2coc3cc([O-])cc(O)c3c2=O)cc1 ZINC000103251919 562820377 /nfs/dbraw/zinc/82/03/77/562820377.db2.gz BPPTXAQEIQFQDQ-UHFFFAOYSA-N 0 1 503.595 5.951 1 0 KKAFMN COc1ccc2c(c1)C=C1C[N@@H+](C)CCCCN(C)S(=O)(=O)[N-]C(=O)c3ccc4c(c3)n(c-2c4C2CCCCC2)C1 ZINC000103255759 562820812 /nfs/dbraw/zinc/82/08/12/562820812.db2.gz YHUNGIAKAKLMDP-UHFFFAOYSA-N 0 1 576.763 5.394 1 0 KKAFMN O=C(Nc1ccc(-n2nccn2)nc1)N1CCC2(CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)CC1 ZINC000103263313 562821717 /nfs/dbraw/zinc/82/17/17/562821717.db2.gz NVJSQAAGISRMES-UHFFFAOYSA-N 0 1 530.032 5.238 1 0 KKAFMN CN1CCN(c2ccccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268259 562822663 /nfs/dbraw/zinc/82/26/63/562822663.db2.gz ORQLPHMUPMGJPQ-BZKUTMRRSA-N 0 1 632.875 5.246 1 0 KKAFMN O=C([C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000103283315 562823699 /nfs/dbraw/zinc/82/36/99/562823699.db2.gz IYAVTZWBGCXXFI-OCBJUFRSSA-N 0 1 559.548 5.862 1 0 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C[C@H]1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)C[N@H+](CCC(=O)[O-])CC4)no2)cc1C(F)(F)F ZINC000118855175 562830796 /nfs/dbraw/zinc/83/07/96/562830796.db2.gz PZQFUZZCRSCJMG-KRWDZBQOSA-N 0 1 514.548 5.634 1 0 KKAFMN CCC(=O)C(CCCCCCOc1cccc(OCCCCCCC(C(=O)CC)=C(O)CC)c1)=C(O)CC ZINC000139017762 562832298 /nfs/dbraw/zinc/83/22/98/562832298.db2.gz HROIEFVHUAKWFL-UHFFFAOYSA-N 0 1 530.746 7.494 1 0 KKAFMN Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1 ZINC000140118811 562832925 /nfs/dbraw/zinc/83/29/25/562832925.db2.gz XMTCFSFHPPARKV-UHFFFAOYSA-N 0 1 550.585 5.142 1 0 KKAFMN CC(C)(C)C1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C1CC1 ZINC000140222527 562832944 /nfs/dbraw/zinc/83/29/44/562832944.db2.gz LDKRBOJSAIJCMR-XMEWBWSMSA-N 0 1 608.574 6.152 1 0 KKAFMN CN1CCCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000141859712 562833803 /nfs/dbraw/zinc/83/38/03/562833803.db2.gz LBGJNSVXUMNZLY-YBRZPMKISA-N 0 1 539.664 5.649 1 0 KKAFMN 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556.690 5.096 1 0 KKAFMN CCn1nc(C2CC2)c(F)c1N1CCc2nc(-c3c4c(C)[nH]nc4ccc3C)nc(N3CC[C@@H](OC)C(C)(C)C3)c2C1 ZINC000146981242 562838995 /nfs/dbraw/zinc/83/89/95/562838995.db2.gz AUPXCCJGCDFWIR-XMMPIXPASA-N 0 1 572.733 5.684 1 0 KKAFMN CO[C@@H]1CCN(c2nc(-c3c4c(ccc3C)n[nH]c4C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000146993750 562839025 /nfs/dbraw/zinc/83/90/25/562839025.db2.gz MBOBAGBJSGWQIF-RCZVLFRGSA-N 0 1 538.740 6.635 1 0 KKAFMN CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147356228 562839299 /nfs/dbraw/zinc/83/92/99/562839299.db2.gz JZVVPVMTDPANQX-MTABRHERSA-N 0 1 636.216 7.054 1 0 KKAFMN CC(C)(C)OC(=O)N1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2nc[nH]s2)C3)CC1 ZINC000147445924 562839383 /nfs/dbraw/zinc/83/93/83/562839383.db2.gz SDNRGNTWXJZKMN-UHFFFAOYSA-N 0 1 621.707 5.963 1 0 KKAFMN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000148849202 562841872 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ZINC000169694680 562865520 /nfs/dbraw/zinc/86/55/20/562865520.db2.gz MAAASDSZPOGPGE-ZDUSSCGKSA-N 0 1 636.056 5.439 1 0 KKAFMN OCCN1CCN(CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1 ZINC000206739310 562876503 /nfs/dbraw/zinc/87/65/03/562876503.db2.gz RRCQRAWXNXUPKY-UHFFFAOYSA-N 0 1 508.018 5.319 1 0 KKAFMN Cc1ccc(-n2cc(-c3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nn2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000207300738 562876731 /nfs/dbraw/zinc/87/67/31/562876731.db2.gz XNDOGYLMIRKGON-UHFFFAOYSA-N 0 1 585.638 5.605 1 0 KKAFMN O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(c2ccccc2OC(F)(F)F)CC1 ZINC000220582297 562878599 /nfs/dbraw/zinc/87/85/99/562878599.db2.gz VUDHHPBMJXRFKZ-UHFFFAOYSA-N 0 1 571.577 5.058 1 0 KKAFMN CC[C@@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5ccc4c3)cc2)c[nH]1 ZINC000221499985 562879046 /nfs/dbraw/zinc/87/90/46/562879046.db2.gz YLEWCTURDPHTHC-JVCWFWRSSA-N 0 1 821.068 7.719 1 0 KKAFMN 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CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C5SCCS5)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 ZINC000299844206 562889220 /nfs/dbraw/zinc/88/92/20/562889220.db2.gz GCEUDIONNAAMRI-XGOZVWLMSA-N 0 1 801.977 6.233 1 0 KKAFMN CCN1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136639 562901103 /nfs/dbraw/zinc/90/11/03/562901103.db2.gz TWRGSFQMYKPGBO-ZOFLGDINSA-N 0 1 536.701 6.780 1 0 KKAFMN O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000473152135 562901727 /nfs/dbraw/zinc/90/17/27/562901727.db2.gz RSKJDTLFUJLASQ-ZPMCFJSWSA-N 0 1 554.518 5.966 1 0 KKAFMN COc1cc(-c2nccc3nc(-c4cccc5ccn(S(=O)(=O)c6ccccc6)c54)[nH]c32)cc(OC)c1OC ZINC000473168055 562903076 /nfs/dbraw/zinc/90/30/76/562903076.db2.gz JIZDUISNAQPUJX-UHFFFAOYSA-N 0 1 540.601 5.509 1 0 KKAFMN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@H]2CO)CC1 ZINC000473179770 562903476 /nfs/dbraw/zinc/90/34/76/562903476.db2.gz WBGAGQYLUBFTDF-NYVOZVTQSA-N 0 1 542.507 5.966 1 0 KKAFMN O=C([O-])C1CCN(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215175 562903983 /nfs/dbraw/zinc/90/39/83/562903983.db2.gz AXGIZQOFNZGFRA-DGOISOPDSA-N 0 1 504.719 5.860 1 0 KKAFMN O=C([O-])C1CCN(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215175 562903984 /nfs/dbraw/zinc/90/39/84/562903984.db2.gz AXGIZQOFNZGFRA-DGOISOPDSA-N 0 1 504.719 5.860 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@@H](C(=O)[O-])CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473227418 562904224 /nfs/dbraw/zinc/90/42/24/562904224.db2.gz CQSXEWQTJJBVIV-HXAGEGRHSA-N 0 1 569.098 5.257 1 0 KKAFMN C[C@H](c1ccc2c(c1)CCO2)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473227483 562904240 /nfs/dbraw/zinc/90/42/40/562904240.db2.gz OWWLQTWBNPDCCG-MQSCRBSSSA-N 0 1 569.098 5.257 1 0 KKAFMN 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/nfs/dbraw/zinc/90/47/17/562904717.db2.gz BTPYOHDDGZVNRX-FKCDAAJZSA-N 0 1 520.670 5.285 1 0 KKAFMN CCc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]2CCc3c2ccc(F)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473243978 562904803 /nfs/dbraw/zinc/90/48/03/562904803.db2.gz HCDLXDRBTLLHDN-XAXKJMDRSA-N 0 1 585.116 5.950 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1SCCN1C(=O)CCC1=O ZINC000473244563 562904898 /nfs/dbraw/zinc/90/48/98/562904898.db2.gz NLALTEYXBFBQLC-HFMPRLQTSA-N 0 1 573.155 6.044 1 0 KKAFMN C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1ccc(OCCN2C(=O)CCC2=O)cc1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473245058 562904913 /nfs/dbraw/zinc/90/49/13/562904913.db2.gz TUUPCZLKCHBUSZ-HFMPRLQTSA-N 0 1 527.061 5.322 1 0 KKAFMN COc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]2CCc3cc(Cl)c(F)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473245318 562904943 /nfs/dbraw/zinc/90/49/43/562904943.db2.gz YETBQABVAANOEU-NYUJMHJJSA-N 0 1 587.088 5.396 1 0 KKAFMN COc1ccc(C[C@H]2c3ccc(NCCCc4ccccc4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000474607968 562905461 /nfs/dbraw/zinc/90/54/61/562905461.db2.gz KRPXDFJBGKVXTA-XIFFEERXSA-N 0 1 563.742 6.207 1 0 KKAFMN O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3cccnc3)cc2)cc1 ZINC000653682381 562906384 /nfs/dbraw/zinc/90/63/84/562906384.db2.gz DBIIWTFQIDNGDF-UHFFFAOYSA-N 0 1 606.125 6.200 1 0 KKAFMN Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653686448 562906496 /nfs/dbraw/zinc/90/64/96/562906496.db2.gz DRQRKIMSCOIOQO-UHFFFAOYSA-N 0 1 620.152 6.509 1 0 KKAFMN CCCCCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)c(O)c2=O ZINC000653706050 562907762 /nfs/dbraw/zinc/90/77/62/562907762.db2.gz WXSGYQCPUMNSNE-YZNIXAGQSA-N 0 1 564.587 5.418 1 0 KKAFMN CCCCCCOc1cc(O)c2c(c1)oc(-c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)c(O)c2=O ZINC000653706047 562907773 /nfs/dbraw/zinc/90/77/73/562907773.db2.gz WXSGYQCPUMNSNE-FREGXXQWSA-N 0 1 564.587 5.418 1 0 KKAFMN CC[C@]12CCCN3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[N@@H+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)[O-])C2 ZINC000653726210 562909136 /nfs/dbraw/zinc/90/91/36/562909136.db2.gz YGXKYTXVHPBPGW-IJOLKIGYSA-N 0 1 602.823 6.879 1 0 KKAFMN CC[C@]12CCCN3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[N@H+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)[O-])C2 ZINC000653726210 562909137 /nfs/dbraw/zinc/90/91/37/562909137.db2.gz YGXKYTXVHPBPGW-IJOLKIGYSA-N 0 1 602.823 6.879 1 0 KKAFMN COc1ccc(CN(C)C(=O)c2ccc(N(Cc3cccnc3)C(=O)c3cc(Cl)c(O)cc3O)cc2)cc1 ZINC000653764977 562911588 /nfs/dbraw/zinc/91/15/88/562911588.db2.gz GNGPZDUCRHGMSX-UHFFFAOYSA-N 0 1 531.996 5.274 1 0 KKAFMN Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5ccc(N6CCN(C)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653778393 562911999 /nfs/dbraw/zinc/91/19/99/562911999.db2.gz IJJHKYRLHRIQNP-QFIPXVFZSA-N 0 1 518.665 6.494 1 0 KKAFMN C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822631 562914172 /nfs/dbraw/zinc/91/41/72/562914172.db2.gz GPPKLMYVHZCXOC-CQSZACIVSA-N 0 1 509.397 5.785 1 0 KKAFMN Cc1ccc(NC(=O)c2cccc3nc(-c4cc(Br)nn4-c4ncccc4Cl)[nH]c32)c(C)c1 ZINC000653823206 562914231 /nfs/dbraw/zinc/91/42/31/562914231.db2.gz BNJPRXCTSCYSSQ-UHFFFAOYSA-N 0 1 521.806 6.096 1 0 KKAFMN O=C(NCc1ccc(Cl)cc1)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c21 ZINC000653825329 562914381 /nfs/dbraw/zinc/91/43/81/562914381.db2.gz ZCWIRAABBODSOD-UHFFFAOYSA-N 0 1 542.224 5.810 1 0 KKAFMN CC[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653829558 562914489 /nfs/dbraw/zinc/91/44/89/562914489.db2.gz WZPUHLVKYQFUJW-XMMPIXPASA-N 0 1 521.452 7.328 1 0 KKAFMN O=C([O-])c1ccc(OC(=O)NCCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c2ccccc12 ZINC000653842756 562914941 /nfs/dbraw/zinc/91/49/41/562914941.db2.gz JGLBRFJRIZMPQY-UHFFFAOYSA-N 0 1 516.425 5.536 1 0 KKAFMN COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccn3)nnc2[C@@H](N)Cc2ccccc2)cc1 ZINC000653852815 562915634 /nfs/dbraw/zinc/91/56/34/562915634.db2.gz IXYGNNGNXNGTKZ-QCENPCRXSA-N 0 1 571.685 5.168 1 0 KKAFMN CCN1CCN(Cc2ccc(NC(=O)[C@H](C)Oc3ccc(-c4cccnc4)cc3)cc2C(F)(F)F)CC1 ZINC000653857056 562915794 /nfs/dbraw/zinc/91/57/94/562915794.db2.gz WRWSZPDJAJPFBH-FQEVSTJZSA-N 0 1 512.576 5.311 1 0 KKAFMN COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5ccc4c3)cc2C)c[nH]1)C(C)C ZINC000653895741 562917380 /nfs/dbraw/zinc/91/73/80/562917380.db2.gz DFZNYDFEIFBZRL-ZYADHFCISA-N 0 1 776.939 7.170 1 0 KKAFMN CN(C)C(=O)Nc1ccc2c(cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)n2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000653912827 562917693 /nfs/dbraw/zinc/91/76/93/562917693.db2.gz DADNEXFARCFION-UHFFFAOYSA-N 0 1 578.639 5.806 1 0 KKAFMN COc1cc(CCC(O)=C(O)C(=O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631338 565163380 /nfs/dbraw/zinc/16/33/80/565163380.db2.gz POEZBDJYIWBIQD-GSYBHBIQSA-N 0 1 640.801 5.300 1 0 biogenic,in-vitro KKAFMN COc1cc(CCC(=O)C(O)=C(O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631338 565163386 /nfs/dbraw/zinc/16/33/86/565163386.db2.gz POEZBDJYIWBIQD-GSYBHBIQSA-N 0 1 640.801 5.300 1 0 biogenic,in-vitro KKAFMN CCC1C=C(c2cccc(CCc3c([O-])c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C(N2CC[NH2+]CC2)=N1 ZINC000103533105 565194653 /nfs/dbraw/zinc/19/46/53/565194653.db2.gz JZVCOFGUXDYEGN-UHFFFAOYSA-N 0 1 638.741 5.179 1 0 biogenic,in-vitro KKAFMN Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3N(c4ccc(S(=O)(=O)Nc5nccs5)cc4)[C@@H]2c2ccccc2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150343222 571458870 /nfs/dbraw/zinc/45/88/70/571458870.db2.gz WKKSHWBSPRWEJC-ZPGRZCPFSA-N 0 1 769.952 7.183 2 0 KKAFMN O=c1oc(C(CC2CC2)CC2CC2)cc(O)c1[C@H](c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000100909348 581101529 /nfs/dbraw/zinc/10/15/29/581101529.db2.gz BFWDTFXPCUQCAN-LJAQVGFWSA-N 0 1 536.665 6.684 1 0 KKAFMN